USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 812 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 49 TYR OH : rot 56:sc= 1.26 USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0.987 K(o=2.3,f=-1.9) USER MOD Set 2.1: A 58 SER OG : rot 59:sc= 0.862 USER MOD Set 2.2: A 61 GLN : amide:sc=-0.00478 X(o=0.86,f=0.63) USER MOD Set 3.1: A 54 ASN : amide:sc= -0.437 K(o=-0.45,f=-8.4!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= -0.0158 USER MOD Set 4.1: A 11 GLN : amide:sc= 1.57 K(o=2.6,f=-0.061) USER MOD Set 4.2: A 19 TYR OH : rot -25:sc= 1.03 USER MOD Set 5.1: A 1 MET CE :methyl -167:sc=-0.00541 (180deg=-0.187) USER MOD Set 5.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0342 (180deg=-0.182) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.429 K(o=0.43,f=-1.2) USER MOD Single : A 6 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.2!) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0.926 (180deg=0.92) USER MOD Single : A 9 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.7!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.593 K(o=-0.59,f=-3.1!) USER MOD Single : A 17 SER OG : rot 72:sc= 0.808 USER MOD Single : A 20 MET CE :methyl 175:sc= 0 (180deg=-0.0368) USER MOD Single : A 21 SER OG : rot 79:sc= 1.2 USER MOD Single : A 22 GLN : amide:sc= 0.168 K(o=0.17,f=-6!) USER MOD Single : A 24 TYR OH : rot 14:sc= 1.32 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.658 K(o=0.66,f=-1.9) USER MOD Single : A 34 THR OG1 : rot 99:sc= 1.04 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 43 TYR OH : rot 55:sc= 0.908 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 80:sc= -1.25 USER MOD Single : A 55 SER OG : rot -54:sc= 0.725 USER MOD Single : A 62 CYS SG : rot 180:sc= -0.912 USER MOD Single : A 66 THR OG1 : rot -99:sc= 0.667 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 153:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -0.0487 K(o=-0.049,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 170:sc= -0.094 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.97 (180deg=0.918) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.029) USER MOD Single : A 98 MET CE :methyl -135:sc= -0.249 (180deg=-0.709) USER MOD Single : A 107 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.842 -2.491 0.147 1.00 0.00 N ATOM 2 CA MET A 1 -1.240 -3.857 0.135 1.00 0.00 C ATOM 3 C MET A 1 -2.165 -4.879 -0.555 1.00 0.00 C ATOM 4 O MET A 1 -1.696 -5.851 -1.148 1.00 0.00 O ATOM 5 CB MET A 1 -0.932 -4.315 1.559 1.00 0.00 C ATOM 6 CG MET A 1 0.122 -3.482 2.274 1.00 0.00 C ATOM 7 SD MET A 1 1.711 -3.484 1.417 1.00 0.00 S ATOM 8 CE MET A 1 2.242 -5.171 1.693 1.00 0.00 C ATOM 0 H1 MET A 1 -1.136 -1.803 0.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.148 -2.238 -0.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.663 -2.479 0.786 1.00 0.00 H new ATOM 0 HA MET A 1 -0.313 -3.802 -0.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.853 -4.292 2.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.599 -5.353 1.530 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.234 -2.456 2.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.259 -3.866 3.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.295 -5.268 1.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.104 -5.429 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.650 -5.845 1.073 1.00 0.00 H new ATOM 20 N SER A 2 -3.474 -4.644 -0.482 1.00 0.00 N ATOM 21 CA SER A 2 -4.483 -5.578 -1.019 1.00 0.00 C ATOM 22 C SER A 2 -4.362 -5.781 -2.541 1.00 0.00 C ATOM 23 O SER A 2 -4.833 -6.788 -3.079 1.00 0.00 O ATOM 24 CB SER A 2 -5.874 -5.084 -0.673 1.00 0.00 C ATOM 25 OG SER A 2 -6.180 -3.880 -1.321 1.00 0.00 O ATOM 0 H SER A 2 -3.871 -3.808 -0.053 1.00 0.00 H new ATOM 0 HA SER A 2 -4.301 -6.547 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.607 -5.841 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.952 -4.945 0.405 1.00 0.00 H new ATOM 0 HG SER A 2 -7.085 -3.596 -1.074 1.00 0.00 H new ATOM 31 N TRP A 3 -3.750 -4.824 -3.237 1.00 0.00 N ATOM 32 CA TRP A 3 -3.493 -4.965 -4.678 1.00 0.00 C ATOM 33 C TRP A 3 -2.712 -6.249 -5.013 1.00 0.00 C ATOM 34 O TRP A 3 -2.853 -6.795 -6.109 1.00 0.00 O ATOM 35 CB TRP A 3 -2.730 -3.745 -5.196 1.00 0.00 C ATOM 36 CG TRP A 3 -1.363 -3.595 -4.598 1.00 0.00 C ATOM 37 CD1 TRP A 3 -1.044 -2.931 -3.451 1.00 0.00 C ATOM 38 CD2 TRP A 3 -0.134 -4.121 -5.113 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.308 -3.008 -3.220 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.889 -3.736 -4.228 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.199 -4.882 -6.241 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.215 -4.080 -4.431 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.529 -5.228 -6.443 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.509 -4.840 -5.564 1.00 0.00 C ATOM 0 H TRP A 3 -3.423 -3.946 -2.834 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.462 -5.035 -5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.638 -3.818 -6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.311 -2.847 -4.985 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.752 -2.419 -2.816 1.00 0.00 H new ATOM 0 HE1 TRP A 3 0.800 -2.592 -2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.563 -5.194 -6.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.988 -3.773 -3.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.797 -5.814 -7.309 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.532 -5.130 -5.754 1.00 0.00 H new ATOM 55 N MET A 4 -1.906 -6.737 -4.071 1.00 0.00 N ATOM 56 CA MET A 4 -1.121 -7.956 -4.303 1.00 0.00 C ATOM 57 C MET A 4 -2.063 -9.150 -4.539 1.00 0.00 C ATOM 58 O MET A 4 -1.902 -9.911 -5.501 1.00 0.00 O ATOM 59 CB MET A 4 -0.194 -8.228 -3.120 1.00 0.00 C ATOM 60 CG MET A 4 0.957 -7.241 -2.981 1.00 0.00 C ATOM 61 SD MET A 4 2.036 -7.621 -1.586 1.00 0.00 S ATOM 62 CE MET A 4 3.185 -6.251 -1.664 1.00 0.00 C ATOM 0 H MET A 4 -1.778 -6.316 -3.151 1.00 0.00 H new ATOM 0 HA MET A 4 -0.506 -7.815 -5.191 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.782 -8.213 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.216 -9.233 -3.219 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.544 -7.242 -3.900 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.555 -6.235 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.917 -6.344 -0.862 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.697 -6.260 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.641 -5.313 -1.551 1.00 0.00 H new ATOM 72 N GLN A 5 -3.038 -9.315 -3.640 1.00 0.00 N ATOM 73 CA GLN A 5 -4.078 -10.340 -3.792 1.00 0.00 C ATOM 74 C GLN A 5 -4.927 -10.089 -5.045 1.00 0.00 C ATOM 75 O GLN A 5 -5.283 -11.024 -5.756 1.00 0.00 O ATOM 76 CB GLN A 5 -4.999 -10.365 -2.557 1.00 0.00 C ATOM 77 CG GLN A 5 -4.376 -11.006 -1.326 1.00 0.00 C ATOM 78 CD GLN A 5 -5.309 -11.024 -0.121 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.332 -10.348 -0.098 1.00 0.00 O ATOM 80 NE2 GLN A 5 -4.977 -11.816 0.879 1.00 0.00 N ATOM 0 H GLN A 5 -3.130 -8.750 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.575 -11.302 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.289 -9.343 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.912 -10.903 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.083 -12.028 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.466 -10.466 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.119 -12.366 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.578 -11.879 1.701 1.00 0.00 H new ATOM 89 N ASN A 6 -5.223 -8.814 -5.307 1.00 0.00 N ATOM 90 CA ASN A 6 -6.050 -8.402 -6.456 1.00 0.00 C ATOM 91 C ASN A 6 -5.435 -8.826 -7.802 1.00 0.00 C ATOM 92 O ASN A 6 -6.149 -9.019 -8.786 1.00 0.00 O ATOM 93 CB ASN A 6 -6.289 -6.904 -6.448 1.00 0.00 C ATOM 94 CG ASN A 6 -7.253 -6.451 -5.386 1.00 0.00 C ATOM 95 OD1 ASN A 6 -8.047 -7.240 -4.862 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.242 -5.168 -5.123 1.00 0.00 N ATOM 0 H ASN A 6 -4.899 -8.035 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.005 -8.917 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.337 -6.394 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.668 -6.600 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.910 -4.778 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.565 -4.559 -5.583 1.00 0.00 H new ATOM 103 N LEU A 7 -4.114 -8.963 -7.840 1.00 0.00 N ATOM 104 CA LEU A 7 -3.421 -9.390 -9.061 1.00 0.00 C ATOM 105 C LEU A 7 -3.172 -10.909 -9.054 1.00 0.00 C ATOM 106 O LEU A 7 -3.545 -11.616 -9.989 1.00 0.00 O ATOM 107 CB LEU A 7 -2.097 -8.630 -9.210 1.00 0.00 C ATOM 108 CG LEU A 7 -2.232 -7.116 -9.417 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.855 -6.470 -9.462 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.997 -6.846 -10.704 1.00 0.00 C ATOM 0 H LEU A 7 -3.499 -8.787 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.059 -9.159 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.493 -8.806 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.549 -9.049 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.784 -6.683 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.962 -5.395 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.334 -6.658 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.281 -6.894 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.093 -5.770 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.458 -7.281 -11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.989 -7.293 -10.638 1.00 0.00 H new ATOM 122 N LYS A 8 -2.560 -11.395 -7.974 1.00 0.00 N ATOM 123 CA LYS A 8 -2.059 -12.775 -7.886 1.00 0.00 C ATOM 124 C LYS A 8 -3.189 -13.845 -7.815 1.00 0.00 C ATOM 125 O LYS A 8 -2.957 -15.011 -8.134 1.00 0.00 O ATOM 126 CB LYS A 8 -1.141 -12.910 -6.669 1.00 0.00 C ATOM 127 CG LYS A 8 -1.873 -12.991 -5.336 1.00 0.00 C ATOM 128 CD LYS A 8 -0.896 -13.054 -4.172 1.00 0.00 C ATOM 129 CE LYS A 8 -1.624 -13.021 -2.836 1.00 0.00 C ATOM 130 NZ LYS A 8 -0.685 -13.139 -1.687 1.00 0.00 N ATOM 0 H LYS A 8 -2.395 -10.845 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.509 -12.968 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.528 -13.804 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.461 -12.058 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.522 -12.123 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.514 -13.872 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.302 -13.965 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.202 -12.215 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.185 -12.090 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.348 -13.835 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.215 -13.061 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.204 -14.061 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.022 -12.378 -1.737 1.00 0.00 H new ATOM 144 N ASN A 9 -4.402 -13.460 -7.392 1.00 0.00 N ATOM 145 CA ASN A 9 -5.467 -14.440 -7.106 1.00 0.00 C ATOM 146 C ASN A 9 -6.065 -15.020 -8.395 1.00 0.00 C ATOM 147 O ASN A 9 -6.842 -15.973 -8.356 1.00 0.00 O ATOM 148 CB ASN A 9 -6.565 -13.832 -6.252 1.00 0.00 C ATOM 149 CG ASN A 9 -6.189 -13.675 -4.805 1.00 0.00 C ATOM 150 OD1 ASN A 9 -5.210 -14.263 -4.330 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.007 -12.952 -4.085 1.00 0.00 N ATOM 0 H ASN A 9 -4.671 -12.488 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.004 -15.254 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.829 -12.855 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.455 -14.457 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.852 -12.853 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.800 -12.487 -4.527 1.00 0.00 H new ATOM 158 N TYR A 10 -5.706 -14.428 -9.532 1.00 0.00 N ATOM 159 CA TYR A 10 -6.214 -14.872 -10.833 1.00 0.00 C ATOM 160 C TYR A 10 -5.322 -14.399 -11.987 1.00 0.00 C ATOM 161 O TYR A 10 -4.839 -13.265 -11.995 1.00 0.00 O ATOM 162 CB TYR A 10 -7.645 -14.374 -11.042 1.00 0.00 C ATOM 163 CG TYR A 10 -8.337 -14.981 -12.242 1.00 0.00 C ATOM 164 CD1 TYR A 10 -9.064 -16.158 -12.126 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.264 -14.376 -13.488 1.00 0.00 C ATOM 166 CE1 TYR A 10 -9.698 -16.717 -13.218 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.893 -14.926 -14.587 1.00 0.00 C ATOM 168 CZ TYR A 10 -9.611 -16.097 -14.449 1.00 0.00 C ATOM 169 OH TYR A 10 -10.241 -16.648 -15.540 1.00 0.00 O ATOM 0 H TYR A 10 -5.064 -13.637 -9.581 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.206 -15.962 -10.831 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.230 -14.593 -10.149 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.629 -13.290 -11.154 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.135 -16.645 -11.165 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.705 -13.459 -13.600 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.259 -17.634 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.824 -14.442 -15.550 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.081 -16.087 -16.328 1.00 0.00 H new ATOM 179 N GLN A 11 -5.120 -15.274 -12.966 1.00 0.00 N ATOM 180 CA GLN A 11 -4.389 -14.919 -14.183 1.00 0.00 C ATOM 181 C GLN A 11 -5.321 -14.241 -15.201 1.00 0.00 C ATOM 182 O GLN A 11 -5.956 -14.909 -16.021 1.00 0.00 O ATOM 183 CB GLN A 11 -3.750 -16.164 -14.805 1.00 0.00 C ATOM 184 CG GLN A 11 -3.211 -15.950 -16.210 1.00 0.00 C ATOM 185 CD GLN A 11 -2.154 -14.864 -16.264 1.00 0.00 C ATOM 186 OE1 GLN A 11 -1.361 -14.702 -15.333 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.141 -14.108 -17.357 1.00 0.00 N ATOM 0 H GLN A 11 -5.452 -16.238 -12.943 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.601 -14.216 -13.912 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.936 -16.501 -14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.489 -16.965 -14.829 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.788 -16.884 -16.580 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.033 -15.687 -16.876 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.816 -14.278 -18.103 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.456 -13.358 -17.450 1.00 0.00 H new ATOM 196 N HIS A 12 -5.427 -12.915 -15.135 1.00 0.00 N ATOM 197 CA HIS A 12 -6.207 -12.161 -16.127 1.00 0.00 C ATOM 198 C HIS A 12 -5.366 -11.118 -16.883 1.00 0.00 C ATOM 199 O HIS A 12 -5.798 -10.603 -17.912 1.00 0.00 O ATOM 200 CB HIS A 12 -7.396 -11.470 -15.452 1.00 0.00 C ATOM 201 CG HIS A 12 -7.003 -10.538 -14.349 1.00 0.00 C ATOM 202 ND1 HIS A 12 -6.361 -10.966 -13.206 1.00 0.00 N ATOM 203 CD2 HIS A 12 -7.160 -9.200 -14.213 1.00 0.00 C ATOM 204 CE1 HIS A 12 -6.141 -9.931 -12.415 1.00 0.00 C ATOM 205 NE2 HIS A 12 -6.616 -8.848 -13.002 1.00 0.00 N ATOM 0 H HIS A 12 -4.989 -12.341 -14.414 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.561 -12.885 -16.861 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.956 -10.914 -16.204 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.067 -12.230 -15.052 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.097 -11.930 -13.003 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.626 -8.534 -14.924 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.655 -9.965 -11.451 1.00 0.00 H new ATOM 210 N LEU A 13 -4.168 -10.807 -16.392 1.00 0.00 N ATOM 211 CA LEU A 13 -3.275 -9.891 -17.112 1.00 0.00 C ATOM 212 C LEU A 13 -1.980 -10.600 -17.551 1.00 0.00 C ATOM 213 O LEU A 13 -1.543 -11.554 -16.910 1.00 0.00 O ATOM 214 CB LEU A 13 -2.951 -8.675 -16.234 1.00 0.00 C ATOM 215 CG LEU A 13 -4.167 -7.873 -15.753 1.00 0.00 C ATOM 216 CD1 LEU A 13 -3.723 -6.777 -14.795 1.00 0.00 C ATOM 217 CD2 LEU A 13 -4.892 -7.280 -16.953 1.00 0.00 C ATOM 0 H LEU A 13 -3.794 -11.167 -15.514 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.788 -9.553 -18.012 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.393 -9.015 -15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.294 -8.008 -16.793 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.852 -8.534 -15.221 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.593 -6.213 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.227 -7.225 -13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.031 -6.107 -15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.756 -6.710 -16.611 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.216 -6.621 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.224 -8.083 -17.611 1.00 0.00 H new ATOM 229 N ARG A 14 -1.383 -10.151 -18.656 1.00 0.00 N ATOM 230 CA ARG A 14 -0.045 -10.610 -19.057 1.00 0.00 C ATOM 231 C ARG A 14 1.081 -9.985 -18.214 1.00 0.00 C ATOM 232 O ARG A 14 2.256 -10.150 -18.544 1.00 0.00 O ATOM 233 CB ARG A 14 0.199 -10.392 -20.544 1.00 0.00 C ATOM 234 CG ARG A 14 -0.662 -11.242 -21.464 1.00 0.00 C ATOM 235 CD ARG A 14 -0.432 -11.002 -22.911 1.00 0.00 C ATOM 236 NE ARG A 14 -1.315 -11.748 -23.794 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.248 -11.727 -25.140 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.370 -10.974 -25.763 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.107 -12.467 -25.819 1.00 0.00 N ATOM 0 H ARG A 14 -1.801 -9.471 -19.291 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.022 -11.682 -18.863 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.025 -9.341 -20.776 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.248 -10.597 -20.759 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.475 -12.294 -21.248 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.711 -11.052 -21.238 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.551 -9.938 -23.113 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.600 -11.258 -23.149 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.036 -12.328 -23.364 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.275 -10.393 -25.227 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.333 -10.970 -26.782 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.796 -13.033 -25.323 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.081 -12.472 -26.839 1.00 0.00 H new ATOM 253 N ASP A 15 0.743 -9.292 -17.127 1.00 0.00 N ATOM 254 CA ASP A 15 1.766 -8.612 -16.313 1.00 0.00 C ATOM 255 C ASP A 15 2.375 -9.534 -15.240 1.00 0.00 C ATOM 256 O ASP A 15 1.679 -9.994 -14.341 1.00 0.00 O ATOM 257 CB ASP A 15 1.172 -7.369 -15.647 1.00 0.00 C ATOM 258 CG ASP A 15 2.182 -6.513 -14.896 1.00 0.00 C ATOM 259 OD1 ASP A 15 3.298 -6.949 -14.735 1.00 0.00 O ATOM 260 OD2 ASP A 15 1.882 -5.374 -14.627 1.00 0.00 O ATOM 0 H ASP A 15 -0.213 -9.184 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 15 2.569 -8.322 -16.991 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.692 -6.757 -16.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.392 -7.682 -14.953 1.00 0.00 H new ATOM 265 N PRO A 16 3.708 -9.770 -15.289 1.00 0.00 N ATOM 266 CA PRO A 16 4.403 -10.623 -14.303 1.00 0.00 C ATOM 267 C PRO A 16 4.171 -10.163 -12.855 1.00 0.00 C ATOM 268 O PRO A 16 4.375 -10.923 -11.908 1.00 0.00 O ATOM 269 CB PRO A 16 5.879 -10.517 -14.702 1.00 0.00 C ATOM 270 CG PRO A 16 5.848 -10.221 -16.163 1.00 0.00 C ATOM 271 CD PRO A 16 4.652 -9.329 -16.363 1.00 0.00 C ATOM 0 HA PRO A 16 4.033 -11.648 -14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.385 -9.727 -14.147 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.414 -11.444 -14.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.765 -9.727 -16.484 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.758 -11.136 -16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.914 -8.276 -16.260 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.219 -9.454 -17.355 1.00 0.00 H new ATOM 279 N SER A 17 3.741 -8.908 -12.694 1.00 0.00 N ATOM 280 CA SER A 17 3.473 -8.331 -11.368 1.00 0.00 C ATOM 281 C SER A 17 2.493 -9.194 -10.554 1.00 0.00 C ATOM 282 O SER A 17 2.553 -9.215 -9.327 1.00 0.00 O ATOM 283 CB SER A 17 2.933 -6.923 -11.518 1.00 0.00 C ATOM 284 OG SER A 17 3.858 -6.066 -12.126 1.00 0.00 O ATOM 0 H SER A 17 3.569 -8.267 -13.469 1.00 0.00 H new ATOM 0 HA SER A 17 4.415 -8.303 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.018 -6.947 -12.110 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.667 -6.531 -10.536 1.00 0.00 H new ATOM 0 HG SER A 17 3.935 -6.290 -13.077 1.00 0.00 H new ATOM 290 N GLU A 18 1.599 -9.907 -11.239 1.00 0.00 N ATOM 291 CA GLU A 18 0.684 -10.845 -10.577 1.00 0.00 C ATOM 292 C GLU A 18 1.480 -11.873 -9.738 1.00 0.00 C ATOM 293 O GLU A 18 1.116 -12.194 -8.600 1.00 0.00 O ATOM 294 CB GLU A 18 -0.193 -11.558 -11.609 1.00 0.00 C ATOM 295 CG GLU A 18 -1.234 -10.669 -12.271 1.00 0.00 C ATOM 296 CD GLU A 18 -1.993 -11.414 -13.333 1.00 0.00 C ATOM 297 OE1 GLU A 18 -1.629 -12.527 -13.627 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.003 -10.918 -13.773 1.00 0.00 O ATOM 0 H GLU A 18 1.487 -9.855 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 18 0.035 -10.281 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.448 -11.983 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.701 -12.391 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.929 -10.296 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.746 -9.800 -12.712 1.00 0.00 H new ATOM 305 N TYR A 19 2.599 -12.345 -10.287 1.00 0.00 N ATOM 306 CA TYR A 19 3.381 -13.420 -9.663 1.00 0.00 C ATOM 307 C TYR A 19 4.563 -12.852 -8.865 1.00 0.00 C ATOM 308 O TYR A 19 5.140 -13.529 -8.017 1.00 0.00 O ATOM 309 CB TYR A 19 3.885 -14.402 -10.724 1.00 0.00 C ATOM 310 CG TYR A 19 2.786 -15.024 -11.555 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.333 -14.409 -12.713 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.204 -16.227 -11.179 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.328 -14.974 -13.476 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.200 -16.800 -11.935 1.00 0.00 C ATOM 315 CZ TYR A 19 0.765 -16.171 -13.083 1.00 0.00 C ATOM 316 OH TYR A 19 -0.234 -16.738 -13.839 1.00 0.00 O ATOM 0 H TYR A 19 2.988 -12.001 -11.165 1.00 0.00 H new ATOM 0 HA TYR A 19 2.727 -13.952 -8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.578 -13.882 -11.386 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.448 -15.195 -10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.773 -13.473 -13.024 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.542 -16.723 -10.281 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.986 -14.482 -14.374 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.758 -17.736 -11.629 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.694 -16.040 -14.350 1.00 0.00 H new ATOM 326 N MET A 20 4.927 -11.607 -9.149 1.00 0.00 N ATOM 327 CA MET A 20 5.862 -10.866 -8.297 1.00 0.00 C ATOM 328 C MET A 20 5.142 -10.360 -7.034 1.00 0.00 C ATOM 329 O MET A 20 5.769 -10.034 -6.028 1.00 0.00 O ATOM 330 CB MET A 20 6.477 -9.701 -9.069 1.00 0.00 C ATOM 331 CG MET A 20 7.393 -10.116 -10.213 1.00 0.00 C ATOM 332 SD MET A 20 8.011 -8.707 -11.155 1.00 0.00 S ATOM 333 CE MET A 20 8.953 -9.540 -12.429 1.00 0.00 C ATOM 0 H MET A 20 4.592 -11.086 -9.960 1.00 0.00 H new ATOM 0 HA MET A 20 6.666 -11.536 -7.992 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.674 -9.082 -9.469 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.042 -9.079 -8.375 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.236 -10.678 -9.812 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.852 -10.786 -10.881 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.325 -8.807 -13.144 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.794 -10.064 -11.975 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.314 -10.257 -12.944 1.00 0.00 H new ATOM 343 N SER A 21 3.813 -10.294 -7.113 1.00 0.00 N ATOM 344 CA SER A 21 2.964 -10.079 -5.935 1.00 0.00 C ATOM 345 C SER A 21 2.814 -11.377 -5.127 1.00 0.00 C ATOM 346 O SER A 21 2.778 -11.347 -3.900 1.00 0.00 O ATOM 347 CB SER A 21 1.605 -9.556 -6.356 1.00 0.00 C ATOM 348 OG SER A 21 1.687 -8.283 -6.936 1.00 0.00 O ATOM 0 H SER A 21 3.295 -10.387 -7.987 1.00 0.00 H new ATOM 0 HA SER A 21 3.442 -9.336 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.154 -10.249 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.947 -9.517 -5.488 1.00 0.00 H new ATOM 0 HG SER A 21 1.985 -8.366 -7.866 1.00 0.00 H new ATOM 354 N GLN A 22 2.706 -12.511 -5.832 1.00 0.00 N ATOM 355 CA GLN A 22 2.755 -13.838 -5.190 1.00 0.00 C ATOM 356 C GLN A 22 3.989 -13.969 -4.279 1.00 0.00 C ATOM 357 O GLN A 22 3.879 -14.291 -3.093 1.00 0.00 O ATOM 358 CB GLN A 22 2.771 -14.945 -6.247 1.00 0.00 C ATOM 359 CG GLN A 22 2.857 -16.349 -5.675 1.00 0.00 C ATOM 360 CD GLN A 22 2.953 -17.410 -6.756 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.089 -17.096 -7.943 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.878 -18.672 -6.353 1.00 0.00 N ATOM 0 H GLN A 22 2.584 -12.540 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 22 1.860 -13.943 -4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.869 -14.866 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.618 -14.784 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.727 -16.420 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.979 -16.541 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.766 -18.885 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.933 -19.429 -7.034 1.00 0.00 H new ATOM 371 N VAL A 23 5.167 -13.725 -4.846 1.00 0.00 N ATOM 372 CA VAL A 23 6.413 -13.741 -4.075 1.00 0.00 C ATOM 373 C VAL A 23 7.473 -12.815 -4.698 1.00 0.00 C ATOM 374 O VAL A 23 7.611 -12.721 -5.916 1.00 0.00 O ATOM 375 CB VAL A 23 6.987 -15.166 -3.969 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.471 -15.649 -5.327 1.00 0.00 C ATOM 377 CG2 VAL A 23 8.120 -15.209 -2.955 1.00 0.00 C ATOM 0 H VAL A 23 5.288 -13.514 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 23 6.169 -13.379 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 23 6.194 -15.832 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.873 -16.658 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.637 -15.655 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.250 -14.981 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.514 -16.223 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.913 -14.530 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.745 -14.905 -1.978 1.00 0.00 H new ATOM 387 N TYR A 24 8.226 -12.137 -3.836 1.00 0.00 N ATOM 388 CA TYR A 24 9.218 -11.143 -4.269 1.00 0.00 C ATOM 389 C TYR A 24 10.606 -11.778 -4.493 1.00 0.00 C ATOM 390 O TYR A 24 11.578 -11.076 -4.779 1.00 0.00 O ATOM 391 CB TYR A 24 9.326 -10.028 -3.212 1.00 0.00 C ATOM 392 CG TYR A 24 9.773 -10.522 -1.840 1.00 0.00 C ATOM 393 CD1 TYR A 24 11.123 -10.724 -1.554 1.00 0.00 C ATOM 394 CD2 TYR A 24 8.847 -10.799 -0.837 1.00 0.00 C ATOM 395 CE1 TYR A 24 11.531 -11.184 -0.319 1.00 0.00 C ATOM 396 CE2 TYR A 24 9.253 -11.258 0.404 1.00 0.00 C ATOM 397 CZ TYR A 24 10.595 -11.450 0.656 1.00 0.00 C ATOM 398 OH TYR A 24 11.011 -11.907 1.889 1.00 0.00 O ATOM 0 H TYR A 24 8.171 -12.256 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 24 8.883 -10.729 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.030 -9.274 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.357 -9.538 -3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.863 -10.517 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.795 -10.653 -1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.581 -11.335 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.522 -11.465 1.172 1.00 0.00 H new ATOM 0 HH TYR A 24 11.978 -11.775 1.978 1.00 0.00 H new ATOM 408 N GLY A 25 10.692 -13.103 -4.374 1.00 0.00 N ATOM 409 CA GLY A 25 11.987 -13.763 -4.207 1.00 0.00 C ATOM 410 C GLY A 25 12.619 -14.278 -5.501 1.00 0.00 C ATOM 411 O GLY A 25 12.569 -13.615 -6.540 1.00 0.00 O ATOM 0 H GLY A 25 9.891 -13.734 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.677 -13.063 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.865 -14.601 -3.521 1.00 0.00 H new ATOM 415 N ASP A 26 13.224 -15.465 -5.422 1.00 0.00 N ATOM 416 CA ASP A 26 14.003 -16.042 -6.525 1.00 0.00 C ATOM 417 C ASP A 26 13.246 -16.033 -7.872 1.00 0.00 C ATOM 418 O ASP A 26 12.067 -16.390 -7.940 1.00 0.00 O ATOM 419 CB ASP A 26 14.419 -17.473 -6.174 1.00 0.00 C ATOM 420 CG ASP A 26 15.532 -17.570 -5.140 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.250 -16.611 -4.977 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.559 -18.535 -4.415 1.00 0.00 O ATOM 0 H ASP A 26 13.189 -16.056 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 26 14.883 -15.412 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.547 -18.011 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.741 -17.978 -7.085 1.00 0.00 H new ATOM 427 N PRO A 27 13.937 -15.625 -8.963 1.00 0.00 N ATOM 428 CA PRO A 27 13.343 -15.509 -10.313 1.00 0.00 C ATOM 429 C PRO A 27 12.604 -16.771 -10.786 1.00 0.00 C ATOM 430 O PRO A 27 11.553 -16.677 -11.422 1.00 0.00 O ATOM 431 CB PRO A 27 14.546 -15.198 -11.207 1.00 0.00 C ATOM 432 CG PRO A 27 15.489 -14.460 -10.318 1.00 0.00 C ATOM 433 CD PRO A 27 15.354 -15.110 -8.967 1.00 0.00 C ATOM 0 HA PRO A 27 12.567 -14.744 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.998 -16.110 -11.596 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.256 -14.594 -12.067 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.512 -14.529 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.238 -13.400 -10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.075 -15.917 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.524 -14.397 -8.160 1.00 0.00 H new ATOM 441 N LEU A 28 13.158 -17.943 -10.465 1.00 0.00 N ATOM 442 CA LEU A 28 12.645 -19.230 -10.968 1.00 0.00 C ATOM 443 C LEU A 28 11.214 -19.503 -10.467 1.00 0.00 C ATOM 444 O LEU A 28 10.428 -20.163 -11.147 1.00 0.00 O ATOM 445 CB LEU A 28 13.580 -20.371 -10.548 1.00 0.00 C ATOM 446 CG LEU A 28 14.986 -20.320 -11.159 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.850 -21.431 -10.576 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.889 -20.451 -12.672 1.00 0.00 C ATOM 0 H LEU A 28 13.970 -18.032 -9.854 1.00 0.00 H new ATOM 0 HA LEU A 28 12.612 -19.175 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.672 -20.363 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.116 -21.319 -10.821 1.00 0.00 H new ATOM 0 HG LEU A 28 15.451 -19.364 -10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.846 -21.386 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.925 -21.305 -9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.398 -22.398 -10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.889 -20.415 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.418 -21.401 -12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.291 -19.632 -13.071 1.00 0.00 H new ATOM 460 N ALA A 29 10.884 -18.967 -9.295 1.00 0.00 N ATOM 461 CA ALA A 29 9.569 -19.171 -8.684 1.00 0.00 C ATOM 462 C ALA A 29 8.426 -18.593 -9.546 1.00 0.00 C ATOM 463 O ALA A 29 7.622 -19.341 -10.108 1.00 0.00 O ATOM 464 CB ALA A 29 9.545 -18.564 -7.286 1.00 0.00 C ATOM 0 H ALA A 29 11.513 -18.383 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 29 9.402 -20.246 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.563 -18.720 -6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.305 -19.042 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.749 -17.495 -7.350 1.00 0.00 H new ATOM 470 N TYR A 30 8.376 -17.265 -9.673 1.00 0.00 N ATOM 471 CA TYR A 30 7.320 -16.612 -10.459 1.00 0.00 C ATOM 472 C TYR A 30 7.532 -16.783 -11.974 1.00 0.00 C ATOM 473 O TYR A 30 6.608 -16.585 -12.758 1.00 0.00 O ATOM 474 CB TYR A 30 7.246 -15.124 -10.109 1.00 0.00 C ATOM 475 CG TYR A 30 8.498 -14.350 -10.456 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.746 -13.942 -11.759 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.429 -14.028 -9.479 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.888 -13.235 -12.082 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.574 -13.321 -9.791 1.00 0.00 C ATOM 480 CZ TYR A 30 10.800 -12.927 -11.094 1.00 0.00 C ATOM 481 OH TYR A 30 11.939 -12.221 -11.409 1.00 0.00 O ATOM 0 H TYR A 30 9.046 -16.624 -9.248 1.00 0.00 H new ATOM 0 HA TYR A 30 6.379 -17.098 -10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.399 -14.679 -10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.051 -15.021 -9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.033 -14.181 -12.534 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.256 -14.335 -8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.066 -12.925 -13.101 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.289 -13.078 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 30 12.475 -12.086 -10.600 1.00 0.00 H new ATOM 491 N LEU A 31 8.748 -17.149 -12.382 1.00 0.00 N ATOM 492 CA LEU A 31 9.023 -17.480 -13.788 1.00 0.00 C ATOM 493 C LEU A 31 8.194 -18.693 -14.244 1.00 0.00 C ATOM 494 O LEU A 31 7.377 -18.596 -15.169 1.00 0.00 O ATOM 495 CB LEU A 31 10.519 -17.750 -13.987 1.00 0.00 C ATOM 496 CG LEU A 31 10.919 -18.206 -15.396 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.612 -17.109 -16.406 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.400 -18.557 -15.415 1.00 0.00 C ATOM 0 H LEU A 31 9.557 -17.225 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 31 8.734 -16.626 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.071 -16.841 -13.746 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.832 -18.512 -13.273 1.00 0.00 H new ATOM 0 HG LEU A 31 10.345 -19.091 -15.669 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.899 -17.442 -17.403 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.545 -16.889 -16.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.172 -16.210 -16.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.684 -18.881 -16.416 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.985 -17.680 -15.137 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.592 -19.361 -14.705 1.00 0.00 H new ATOM 510 N GLN A 32 8.394 -19.831 -13.580 1.00 0.00 N ATOM 511 CA GLN A 32 7.681 -21.058 -13.938 1.00 0.00 C ATOM 512 C GLN A 32 6.181 -20.932 -13.652 1.00 0.00 C ATOM 513 O GLN A 32 5.360 -21.460 -14.396 1.00 0.00 O ATOM 514 CB GLN A 32 8.257 -22.253 -13.172 1.00 0.00 C ATOM 515 CG GLN A 32 9.639 -22.682 -13.635 1.00 0.00 C ATOM 516 CD GLN A 32 9.666 -23.063 -15.102 1.00 0.00 C ATOM 517 OE1 GLN A 32 8.653 -23.484 -15.667 1.00 0.00 O ATOM 518 NE2 GLN A 32 10.829 -22.923 -15.728 1.00 0.00 N ATOM 0 H GLN A 32 9.039 -19.930 -12.796 1.00 0.00 H new ATOM 0 HA GLN A 32 7.814 -21.219 -15.008 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.303 -22.003 -12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.575 -23.097 -13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.346 -21.871 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.973 -23.530 -13.036 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.642 -22.571 -15.222 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.910 -23.167 -16.715 1.00 0.00 H new ATOM 527 N GLU A 33 5.824 -20.215 -12.585 1.00 0.00 N ATOM 528 CA GLU A 33 4.410 -19.997 -12.245 1.00 0.00 C ATOM 529 C GLU A 33 3.718 -19.109 -13.302 1.00 0.00 C ATOM 530 O GLU A 33 2.569 -19.348 -13.672 1.00 0.00 O ATOM 531 CB GLU A 33 4.286 -19.364 -10.858 1.00 0.00 C ATOM 532 CG GLU A 33 2.923 -19.543 -10.205 1.00 0.00 C ATOM 533 CD GLU A 33 2.836 -20.850 -9.470 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.021 -21.871 -10.089 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.696 -20.827 -8.270 1.00 0.00 O ATOM 0 H GLU A 33 6.486 -19.777 -11.944 1.00 0.00 H new ATOM 0 HA GLU A 33 3.911 -20.966 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.047 -19.794 -10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.500 -18.298 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.739 -18.721 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.144 -19.499 -10.966 1.00 0.00 H new ATOM 542 N THR A 34 4.436 -18.101 -13.807 1.00 0.00 N ATOM 543 CA THR A 34 3.903 -17.218 -14.864 1.00 0.00 C ATOM 544 C THR A 34 3.644 -17.993 -16.165 1.00 0.00 C ATOM 545 O THR A 34 2.645 -17.764 -16.855 1.00 0.00 O ATOM 546 CB THR A 34 4.862 -16.050 -15.162 1.00 0.00 C ATOM 547 OG1 THR A 34 4.983 -15.219 -14.001 1.00 0.00 O ATOM 548 CG2 THR A 34 4.345 -15.219 -16.326 1.00 0.00 C ATOM 0 H THR A 34 5.384 -17.872 -13.507 1.00 0.00 H new ATOM 0 HA THR A 34 2.960 -16.820 -14.489 1.00 0.00 H new ATOM 0 HB THR A 34 5.837 -16.459 -15.427 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.808 -15.444 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.035 -14.399 -16.522 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.265 -15.846 -17.214 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.363 -14.816 -16.077 1.00 0.00 H new ATOM 556 N THR A 35 4.555 -18.902 -16.499 1.00 0.00 N ATOM 557 CA THR A 35 4.515 -19.611 -17.790 1.00 0.00 C ATOM 558 C THR A 35 3.642 -20.884 -17.737 1.00 0.00 C ATOM 559 O THR A 35 3.084 -21.309 -18.754 1.00 0.00 O ATOM 560 CB THR A 35 5.931 -20.000 -18.253 1.00 0.00 C ATOM 561 OG1 THR A 35 6.540 -20.852 -17.274 1.00 0.00 O ATOM 562 CG2 THR A 35 6.789 -18.758 -18.443 1.00 0.00 C ATOM 0 H THR A 35 5.334 -19.171 -15.898 1.00 0.00 H new ATOM 0 HA THR A 35 4.070 -18.916 -18.502 1.00 0.00 H new ATOM 0 HB THR A 35 5.854 -20.526 -19.205 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.441 -21.100 -17.571 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.786 -19.051 -18.770 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.335 -18.114 -19.196 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.861 -18.218 -17.499 1.00 0.00 H new ATOM 570 N LYS A 36 3.503 -21.480 -16.552 1.00 0.00 N ATOM 571 CA LYS A 36 2.818 -22.775 -16.412 1.00 0.00 C ATOM 572 C LYS A 36 1.722 -22.763 -15.321 1.00 0.00 C ATOM 573 O LYS A 36 0.742 -23.511 -15.414 1.00 0.00 O ATOM 574 CB LYS A 36 3.839 -23.874 -16.109 1.00 0.00 C ATOM 575 CG LYS A 36 4.903 -24.055 -17.183 1.00 0.00 C ATOM 576 CD LYS A 36 4.293 -24.533 -18.491 1.00 0.00 C ATOM 577 CE LYS A 36 5.369 -24.867 -19.515 1.00 0.00 C ATOM 578 NZ LYS A 36 4.789 -25.400 -20.778 1.00 0.00 N ATOM 0 H LYS A 36 3.853 -21.092 -15.676 1.00 0.00 H new ATOM 0 HA LYS A 36 2.320 -22.974 -17.361 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.330 -23.647 -15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.310 -24.818 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.423 -23.111 -17.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.648 -24.774 -16.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.677 -25.414 -18.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.635 -23.762 -18.891 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.953 -23.973 -19.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.056 -25.601 -19.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.555 -25.615 -21.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.253 -26.268 -20.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.153 -24.690 -21.195 1.00 0.00 H new ATOM 592 N PHE A 37 1.911 -21.936 -14.285 1.00 0.00 N ATOM 593 CA PHE A 37 0.947 -21.791 -13.168 1.00 0.00 C ATOM 594 C PHE A 37 0.918 -23.059 -12.279 1.00 0.00 C ATOM 595 O PHE A 37 -0.021 -23.284 -11.507 1.00 0.00 O ATOM 596 CB PHE A 37 -0.463 -21.446 -13.700 1.00 0.00 C ATOM 597 CG PHE A 37 -1.369 -20.769 -12.694 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.284 -19.401 -12.481 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.306 -21.495 -11.971 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.111 -18.771 -11.568 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.134 -20.871 -11.057 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.036 -19.508 -10.856 1.00 0.00 C ATOM 0 H PHE A 37 2.736 -21.344 -14.190 1.00 0.00 H new ATOM 0 HA PHE A 37 1.282 -20.963 -12.543 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.360 -20.798 -14.570 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.943 -22.363 -14.041 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.562 -18.820 -13.035 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.389 -22.561 -12.125 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.033 -17.705 -11.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.857 -21.449 -10.500 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.683 -19.019 -10.142 1.00 0.00 H new ATOM 612 N VAL A 38 1.979 -23.864 -12.369 1.00 0.00 N ATOM 613 CA VAL A 38 2.067 -25.155 -11.670 1.00 0.00 C ATOM 614 C VAL A 38 3.518 -25.460 -11.245 1.00 0.00 C ATOM 615 O VAL A 38 4.440 -24.710 -11.563 1.00 0.00 O ATOM 616 CB VAL A 38 1.545 -26.308 -12.548 1.00 0.00 C ATOM 617 CG1 VAL A 38 0.065 -26.123 -12.845 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.340 -26.395 -13.842 1.00 0.00 C ATOM 0 H VAL A 38 2.803 -23.642 -12.928 1.00 0.00 H new ATOM 0 HA VAL A 38 1.441 -25.076 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 38 1.673 -27.242 -12.001 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.287 -26.946 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.495 -26.109 -11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.085 -25.181 -13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.957 -27.215 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.243 -25.459 -14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.391 -26.573 -13.612 1.00 0.00 H new ATOM 628 N THR A 39 3.720 -26.570 -10.535 1.00 0.00 N ATOM 629 CA THR A 39 5.059 -26.922 -10.033 1.00 0.00 C ATOM 630 C THR A 39 5.949 -27.570 -11.116 1.00 0.00 C ATOM 631 O THR A 39 5.821 -28.752 -11.437 1.00 0.00 O ATOM 632 CB THR A 39 4.964 -27.881 -8.832 1.00 0.00 C ATOM 633 OG1 THR A 39 6.276 -28.134 -8.314 1.00 0.00 O ATOM 634 CG2 THR A 39 4.324 -29.196 -9.248 1.00 0.00 C ATOM 0 H THR A 39 2.987 -27.237 -10.294 1.00 0.00 H new ATOM 0 HA THR A 39 5.520 -25.983 -9.727 1.00 0.00 H new ATOM 0 HB THR A 39 4.346 -27.416 -8.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.214 -28.743 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.265 -29.861 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.321 -29.008 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.927 -29.664 -10.027 1.00 0.00 H new ATOM 642 N GLU A 40 6.838 -26.765 -11.697 1.00 0.00 N ATOM 643 CA GLU A 40 7.781 -27.234 -12.726 1.00 0.00 C ATOM 644 C GLU A 40 9.162 -27.540 -12.116 1.00 0.00 C ATOM 645 O GLU A 40 9.462 -27.113 -11.004 1.00 0.00 O ATOM 646 CB GLU A 40 7.915 -26.196 -13.843 1.00 0.00 C ATOM 647 CG GLU A 40 6.632 -25.939 -14.620 1.00 0.00 C ATOM 648 CD GLU A 40 6.197 -27.162 -15.377 1.00 0.00 C ATOM 649 OE1 GLU A 40 6.965 -27.651 -16.170 1.00 0.00 O ATOM 650 OE2 GLU A 40 5.142 -27.674 -15.084 1.00 0.00 O ATOM 0 H GLU A 40 6.929 -25.774 -11.473 1.00 0.00 H new ATOM 0 HA GLU A 40 7.384 -28.157 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.257 -25.256 -13.410 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.687 -26.526 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.843 -25.635 -13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.785 -25.114 -15.315 1.00 0.00 H new ATOM 657 N ARG A 41 10.009 -28.270 -12.849 1.00 0.00 N ATOM 658 CA ARG A 41 11.313 -28.688 -12.316 1.00 0.00 C ATOM 659 C ARG A 41 12.009 -27.524 -11.597 1.00 0.00 C ATOM 660 O ARG A 41 12.320 -27.612 -10.413 1.00 0.00 O ATOM 661 CB ARG A 41 12.205 -29.296 -13.389 1.00 0.00 C ATOM 662 CG ARG A 41 13.578 -29.735 -12.905 1.00 0.00 C ATOM 663 CD ARG A 41 14.416 -30.383 -13.946 1.00 0.00 C ATOM 664 NE ARG A 41 15.796 -30.615 -13.552 1.00 0.00 N ATOM 665 CZ ARG A 41 16.694 -31.308 -14.279 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.354 -31.868 -15.418 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.921 -31.429 -13.805 1.00 0.00 N ATOM 0 H ARG A 41 9.820 -28.581 -13.802 1.00 0.00 H new ATOM 0 HA ARG A 41 11.127 -29.474 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.695 -30.157 -13.820 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.333 -28.568 -14.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.109 -28.865 -12.518 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.452 -30.428 -12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.964 -31.337 -14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.407 -29.761 -14.841 1.00 0.00 H new ATOM 0 HE ARG A 41 16.106 -30.225 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.398 -31.781 -15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.046 -32.389 -15.957 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.167 -31.004 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.623 -31.948 -14.333 1.00 0.00 H new ATOM 681 N GLU A 42 12.213 -26.421 -12.312 1.00 0.00 N ATOM 682 CA GLU A 42 12.966 -25.277 -11.777 1.00 0.00 C ATOM 683 C GLU A 42 12.257 -24.668 -10.549 1.00 0.00 C ATOM 684 O GLU A 42 12.893 -24.118 -9.653 1.00 0.00 O ATOM 685 CB GLU A 42 13.157 -24.212 -12.860 1.00 0.00 C ATOM 686 CG GLU A 42 14.143 -24.596 -13.953 1.00 0.00 C ATOM 687 CD GLU A 42 14.228 -23.532 -15.012 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.500 -22.573 -14.923 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.098 -23.621 -15.846 1.00 0.00 O ATOM 0 H GLU A 42 11.870 -26.290 -13.264 1.00 0.00 H new ATOM 0 HA GLU A 42 13.944 -25.638 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.191 -23.999 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.497 -23.289 -12.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.129 -24.757 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.838 -25.539 -14.406 1.00 0.00 H new ATOM 696 N TYR A 43 10.931 -24.790 -10.527 1.00 0.00 N ATOM 697 CA TYR A 43 10.093 -24.255 -9.443 1.00 0.00 C ATOM 698 C TYR A 43 10.365 -24.964 -8.103 1.00 0.00 C ATOM 699 O TYR A 43 10.346 -24.331 -7.049 1.00 0.00 O ATOM 700 CB TYR A 43 8.621 -24.414 -9.856 1.00 0.00 C ATOM 701 CG TYR A 43 7.588 -23.768 -8.948 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.291 -22.412 -9.054 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.876 -24.527 -8.025 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.315 -21.836 -8.266 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.906 -23.952 -7.227 1.00 0.00 C ATOM 706 CZ TYR A 43 5.627 -22.609 -7.355 1.00 0.00 C ATOM 707 OH TYR A 43 4.646 -22.040 -6.579 1.00 0.00 O ATOM 0 H TYR A 43 10.402 -25.263 -11.260 1.00 0.00 H new ATOM 0 HA TYR A 43 10.333 -23.203 -9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.501 -24.000 -10.857 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.398 -25.479 -9.922 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.832 -21.802 -9.763 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.085 -25.582 -7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.091 -20.784 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.369 -24.552 -6.507 1.00 0.00 H new ATOM 0 HH TYR A 43 3.982 -21.608 -7.156 1.00 0.00 H new ATOM 717 N TYR A 44 10.616 -26.279 -8.139 1.00 0.00 N ATOM 718 CA TYR A 44 10.895 -27.038 -6.902 1.00 0.00 C ATOM 719 C TYR A 44 12.308 -27.658 -6.863 1.00 0.00 C ATOM 720 O TYR A 44 12.666 -28.306 -5.884 1.00 0.00 O ATOM 721 CB TYR A 44 9.850 -28.140 -6.723 1.00 0.00 C ATOM 722 CG TYR A 44 9.932 -29.238 -7.762 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.802 -30.306 -7.603 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.138 -29.201 -8.899 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.881 -31.310 -8.549 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.208 -30.200 -9.850 1.00 0.00 C ATOM 727 CZ TYR A 44 10.081 -31.253 -9.672 1.00 0.00 C ATOM 728 OH TYR A 44 10.155 -32.251 -10.617 1.00 0.00 O ATOM 0 H TYR A 44 10.633 -26.836 -8.993 1.00 0.00 H new ATOM 0 HA TYR A 44 10.844 -26.320 -6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.967 -28.581 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.856 -27.694 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.429 -30.354 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.454 -28.378 -9.043 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.565 -32.134 -8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.582 -30.157 -10.729 1.00 0.00 H new ATOM 0 HH TYR A 44 9.526 -32.061 -11.344 1.00 0.00 H new ATOM 738 N GLU A 45 13.105 -27.458 -7.915 1.00 0.00 N ATOM 739 CA GLU A 45 14.460 -28.042 -7.990 1.00 0.00 C ATOM 740 C GLU A 45 15.430 -27.417 -6.964 1.00 0.00 C ATOM 741 O GLU A 45 16.118 -28.130 -6.232 1.00 0.00 O ATOM 742 CB GLU A 45 15.026 -27.877 -9.403 1.00 0.00 C ATOM 743 CG GLU A 45 16.458 -28.370 -9.567 1.00 0.00 C ATOM 744 CD GLU A 45 16.881 -28.342 -11.009 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.836 -27.292 -11.602 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.357 -29.346 -11.488 1.00 0.00 O ATOM 0 H GLU A 45 12.843 -26.899 -8.727 1.00 0.00 H new ATOM 0 HA GLU A 45 14.366 -29.101 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.387 -28.415 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.983 -26.823 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.130 -27.747 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.542 -29.386 -9.180 1.00 0.00 H new ATOM 753 N ASP A 46 15.487 -26.090 -6.918 1.00 0.00 N ATOM 754 CA ASP A 46 16.331 -25.393 -5.939 1.00 0.00 C ATOM 755 C ASP A 46 15.508 -24.851 -4.757 1.00 0.00 C ATOM 756 O ASP A 46 16.003 -24.046 -3.958 1.00 0.00 O ATOM 757 CB ASP A 46 17.093 -24.251 -6.613 1.00 0.00 C ATOM 758 CG ASP A 46 18.065 -24.696 -7.699 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.804 -25.621 -7.462 1.00 0.00 O ATOM 760 OD2 ASP A 46 17.951 -24.217 -8.801 1.00 0.00 O ATOM 0 H ASP A 46 14.964 -25.474 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 46 17.042 -26.119 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.373 -23.558 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.645 -23.700 -5.852 1.00 0.00 H new ATOM 765 N PHE A 47 14.265 -25.301 -4.643 1.00 0.00 N ATOM 766 CA PHE A 47 13.305 -24.707 -3.707 1.00 0.00 C ATOM 767 C PHE A 47 12.806 -25.724 -2.664 1.00 0.00 C ATOM 768 O PHE A 47 13.020 -26.930 -2.791 1.00 0.00 O ATOM 769 CB PHE A 47 12.119 -24.119 -4.474 1.00 0.00 C ATOM 770 CG PHE A 47 12.475 -22.930 -5.321 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.132 -23.095 -6.532 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.154 -21.645 -4.909 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.460 -22.001 -7.311 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.480 -20.552 -5.687 1.00 0.00 C ATOM 775 CZ PHE A 47 13.134 -20.730 -6.889 1.00 0.00 C ATOM 0 H PHE A 47 13.892 -26.079 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 47 13.823 -23.913 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.691 -24.893 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.346 -23.828 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.390 -24.088 -6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.643 -21.498 -3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.972 -22.142 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.223 -19.557 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.390 -19.875 -7.498 1.00 0.00 H new ATOM 785 N GLY A 48 12.130 -25.226 -1.630 1.00 0.00 N ATOM 786 CA GLY A 48 11.501 -26.109 -0.652 1.00 0.00 C ATOM 787 C GLY A 48 11.637 -25.619 0.787 1.00 0.00 C ATOM 788 O GLY A 48 10.906 -26.063 1.674 1.00 0.00 O ATOM 0 H GLY A 48 12.005 -24.230 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.443 -26.211 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.944 -27.102 -0.733 1.00 0.00 H new ATOM 792 N TYR A 49 12.567 -24.699 1.023 1.00 0.00 N ATOM 793 CA TYR A 49 12.743 -24.101 2.355 1.00 0.00 C ATOM 794 C TYR A 49 12.910 -22.576 2.279 1.00 0.00 C ATOM 795 O TYR A 49 13.500 -22.055 1.338 1.00 0.00 O ATOM 796 CB TYR A 49 13.950 -24.721 3.062 1.00 0.00 C ATOM 797 CG TYR A 49 13.795 -26.196 3.360 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.176 -27.154 2.433 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.269 -26.625 4.569 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.036 -28.503 2.700 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.124 -27.970 4.848 1.00 0.00 C ATOM 802 CZ TYR A 49 13.509 -28.906 3.911 1.00 0.00 C ATOM 803 OH TYR A 49 13.369 -30.248 4.183 1.00 0.00 O ATOM 0 H TYR A 49 13.212 -24.348 0.315 1.00 0.00 H new ATOM 0 HA TYR A 49 11.840 -24.311 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.835 -24.577 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.125 -24.188 3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.589 -26.841 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.967 -25.895 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.337 -29.237 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.712 -28.287 5.794 1.00 0.00 H new ATOM 0 HH TYR A 49 14.236 -30.694 4.086 1.00 0.00 H new ATOM 813 N GLY A 50 12.393 -21.874 3.286 1.00 0.00 N ATOM 814 CA GLY A 50 12.568 -20.426 3.378 1.00 0.00 C ATOM 815 C GLY A 50 11.238 -19.683 3.331 1.00 0.00 C ATOM 816 O GLY A 50 10.183 -20.314 3.364 1.00 0.00 O ATOM 0 H GLY A 50 11.851 -22.283 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.086 -20.182 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.202 -20.085 2.560 1.00 0.00 H new ATOM 820 N GLU A 51 11.287 -18.351 3.243 1.00 0.00 N ATOM 821 CA GLU A 51 10.071 -17.514 3.246 1.00 0.00 C ATOM 822 C GLU A 51 8.965 -18.119 2.373 1.00 0.00 C ATOM 823 O GLU A 51 7.876 -18.421 2.848 1.00 0.00 O ATOM 824 CB GLU A 51 10.394 -16.097 2.767 1.00 0.00 C ATOM 825 CG GLU A 51 11.042 -15.209 3.820 1.00 0.00 C ATOM 826 CD GLU A 51 10.031 -14.720 4.818 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.701 -15.460 5.714 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.670 -13.568 4.754 1.00 0.00 O ATOM 0 H GLU A 51 12.156 -17.822 3.168 1.00 0.00 H new ATOM 0 HA GLU A 51 9.707 -17.473 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.058 -16.161 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.473 -15.623 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.826 -15.765 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.520 -14.357 3.336 1.00 0.00 H new ATOM 835 N CYS A 52 9.259 -18.284 1.090 1.00 0.00 N ATOM 836 CA CYS A 52 8.367 -18.992 0.169 1.00 0.00 C ATOM 837 C CYS A 52 9.168 -20.022 -0.635 1.00 0.00 C ATOM 838 O CYS A 52 9.254 -19.942 -1.860 1.00 0.00 O ATOM 839 CB CYS A 52 7.847 -17.874 -0.737 1.00 0.00 C ATOM 840 SG CYS A 52 6.914 -16.586 0.124 1.00 0.00 S ATOM 0 H CYS A 52 10.114 -17.936 0.657 1.00 0.00 H new ATOM 0 HA CYS A 52 7.565 -19.541 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.693 -17.413 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.212 -18.313 -1.506 1.00 0.00 H new ATOM 0 HG CYS A 52 7.740 -15.760 0.695 1.00 0.00 H new ATOM 846 N PHE A 53 9.794 -20.968 0.076 1.00 0.00 N ATOM 847 CA PHE A 53 10.650 -22.000 -0.550 1.00 0.00 C ATOM 848 C PHE A 53 11.908 -21.396 -1.210 1.00 0.00 C ATOM 849 O PHE A 53 12.654 -22.101 -1.891 1.00 0.00 O ATOM 850 CB PHE A 53 9.861 -22.806 -1.601 1.00 0.00 C ATOM 851 CG PHE A 53 8.786 -23.723 -1.055 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.397 -23.670 0.274 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.155 -24.641 -1.892 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.409 -24.509 0.753 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.170 -25.478 -1.414 1.00 0.00 C ATOM 856 CZ PHE A 53 6.796 -25.411 -0.090 1.00 0.00 C ATOM 0 H PHE A 53 9.727 -21.045 1.091 1.00 0.00 H new ATOM 0 HA PHE A 53 10.972 -22.662 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.397 -22.106 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.566 -23.406 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.871 -22.966 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.442 -24.698 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.116 -24.458 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.692 -26.185 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.023 -26.064 0.287 1.00 0.00 H new ATOM 866 N ASN A 54 12.152 -20.106 -0.987 1.00 0.00 N ATOM 867 CA ASN A 54 13.192 -19.375 -1.719 1.00 0.00 C ATOM 868 C ASN A 54 14.499 -19.246 -0.913 1.00 0.00 C ATOM 869 O ASN A 54 14.564 -19.620 0.257 1.00 0.00 O ATOM 870 CB ASN A 54 12.700 -18.001 -2.135 1.00 0.00 C ATOM 871 CG ASN A 54 12.451 -17.071 -0.980 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.295 -16.915 -0.090 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.266 -16.518 -0.945 1.00 0.00 N ATOM 0 H ASN A 54 11.645 -19.542 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 54 13.413 -19.961 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.434 -17.549 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.778 -18.113 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.002 -15.926 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.606 -16.679 -1.706 1.00 0.00 H new ATOM 880 N SER A 55 15.534 -18.694 -1.553 1.00 0.00 N ATOM 881 CA SER A 55 16.829 -18.444 -0.893 1.00 0.00 C ATOM 882 C SER A 55 17.108 -16.936 -0.781 1.00 0.00 C ATOM 883 O SER A 55 18.245 -16.484 -0.925 1.00 0.00 O ATOM 884 CB SER A 55 17.947 -19.132 -1.652 1.00 0.00 C ATOM 885 OG SER A 55 18.015 -18.712 -2.987 1.00 0.00 O ATOM 0 H SER A 55 15.505 -18.409 -2.532 1.00 0.00 H new ATOM 0 HA SER A 55 16.782 -18.856 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.898 -18.928 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.796 -20.211 -1.619 1.00 0.00 H new ATOM 0 HG SER A 55 17.139 -18.828 -3.412 1.00 0.00 H new ATOM 891 N THR A 56 16.046 -16.170 -0.546 1.00 0.00 N ATOM 892 CA THR A 56 16.123 -14.707 -0.417 1.00 0.00 C ATOM 893 C THR A 56 15.801 -14.224 1.010 1.00 0.00 C ATOM 894 O THR A 56 15.205 -14.950 1.806 1.00 0.00 O ATOM 895 CB THR A 56 15.166 -14.012 -1.404 1.00 0.00 C ATOM 896 OG1 THR A 56 13.811 -14.333 -1.065 1.00 0.00 O ATOM 897 CG2 THR A 56 15.449 -14.464 -2.828 1.00 0.00 C ATOM 0 H THR A 56 15.102 -16.542 -0.438 1.00 0.00 H new ATOM 0 HA THR A 56 17.154 -14.438 -0.648 1.00 0.00 H new ATOM 0 HB THR A 56 15.319 -12.935 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.203 -13.889 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.764 -13.963 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.476 -14.211 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.311 -15.543 -2.902 1.00 0.00 H new ATOM 905 N GLU A 57 16.199 -12.985 1.318 1.00 0.00 N ATOM 906 CA GLU A 57 16.002 -12.392 2.653 1.00 0.00 C ATOM 907 C GLU A 57 14.524 -12.076 2.976 1.00 0.00 C ATOM 908 O GLU A 57 13.794 -11.516 2.149 1.00 0.00 O ATOM 909 CB GLU A 57 16.838 -11.116 2.781 1.00 0.00 C ATOM 910 CG GLU A 57 16.785 -10.465 4.156 1.00 0.00 C ATOM 911 CD GLU A 57 17.665 -9.248 4.217 1.00 0.00 C ATOM 912 OE1 GLU A 57 18.281 -8.932 3.227 1.00 0.00 O ATOM 913 OE2 GLU A 57 17.635 -8.568 5.216 1.00 0.00 O ATOM 0 H GLU A 57 16.665 -12.365 0.656 1.00 0.00 H new ATOM 0 HA GLU A 57 16.328 -13.141 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.876 -11.351 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.496 -10.396 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.758 -10.186 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.100 -11.183 4.913 1.00 0.00 H new ATOM 920 N SER A 58 14.091 -12.461 4.174 1.00 0.00 N ATOM 921 CA SER A 58 12.751 -12.122 4.672 1.00 0.00 C ATOM 922 C SER A 58 12.503 -10.602 4.620 1.00 0.00 C ATOM 923 O SER A 58 13.296 -9.819 5.151 1.00 0.00 O ATOM 924 CB SER A 58 12.575 -12.639 6.086 1.00 0.00 C ATOM 925 OG SER A 58 11.336 -12.276 6.629 1.00 0.00 O ATOM 0 H SER A 58 14.650 -13.012 4.826 1.00 0.00 H new ATOM 0 HA SER A 58 12.017 -12.601 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.667 -13.725 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.375 -12.250 6.716 1.00 0.00 H new ATOM 0 HG SER A 58 10.616 -12.626 6.064 1.00 0.00 H new ATOM 931 N GLU A 59 11.396 -10.184 3.997 1.00 0.00 N ATOM 932 CA GLU A 59 11.009 -8.762 4.003 1.00 0.00 C ATOM 933 C GLU A 59 9.631 -8.505 4.651 1.00 0.00 C ATOM 934 O GLU A 59 9.421 -7.463 5.282 1.00 0.00 O ATOM 935 CB GLU A 59 11.014 -8.217 2.573 1.00 0.00 C ATOM 936 CG GLU A 59 12.391 -8.167 1.924 1.00 0.00 C ATOM 937 CD GLU A 59 12.304 -7.707 0.496 1.00 0.00 C ATOM 938 OE1 GLU A 59 11.213 -7.494 0.025 1.00 0.00 O ATOM 939 OE2 GLU A 59 13.332 -7.461 -0.091 1.00 0.00 O ATOM 0 H GLU A 59 10.758 -10.796 3.488 1.00 0.00 H new ATOM 0 HA GLU A 59 11.746 -8.241 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.359 -8.835 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.592 -7.212 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.037 -7.493 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.850 -9.155 1.963 1.00 0.00 H new ATOM 946 N VAL A 60 8.705 -9.454 4.520 1.00 0.00 N ATOM 947 CA VAL A 60 7.339 -9.279 5.049 1.00 0.00 C ATOM 948 C VAL A 60 6.875 -10.491 5.897 1.00 0.00 C ATOM 949 O VAL A 60 5.679 -10.694 6.126 1.00 0.00 O ATOM 950 CB VAL A 60 6.329 -9.053 3.907 1.00 0.00 C ATOM 951 CG1 VAL A 60 6.598 -7.725 3.216 1.00 0.00 C ATOM 952 CG2 VAL A 60 6.392 -10.195 2.906 1.00 0.00 C ATOM 0 H VAL A 60 8.867 -10.348 4.057 1.00 0.00 H new ATOM 0 HA VAL A 60 7.372 -8.400 5.693 1.00 0.00 H new ATOM 0 HB VAL A 60 5.326 -9.024 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.876 -7.580 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.504 -6.914 3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.606 -7.728 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.672 -10.018 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.395 -10.254 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.154 -11.133 3.408 1.00 0.00 H new ATOM 962 N GLN A 61 7.849 -11.277 6.372 1.00 0.00 N ATOM 963 CA GLN A 61 7.613 -12.480 7.204 1.00 0.00 C ATOM 964 C GLN A 61 6.656 -13.504 6.559 1.00 0.00 C ATOM 965 O GLN A 61 5.685 -13.939 7.185 1.00 0.00 O ATOM 966 CB GLN A 61 7.055 -12.065 8.568 1.00 0.00 C ATOM 967 CG GLN A 61 8.023 -11.259 9.417 1.00 0.00 C ATOM 968 CD GLN A 61 9.186 -12.093 9.920 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.994 -13.167 10.497 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.400 -11.601 9.708 1.00 0.00 N ATOM 0 H GLN A 61 8.837 -11.100 6.192 1.00 0.00 H new ATOM 0 HA GLN A 61 8.580 -12.971 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.149 -11.479 8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.766 -12.961 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.406 -10.423 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.489 -10.835 10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.512 -10.709 9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.221 -12.115 10.027 1.00 0.00 H new ATOM 979 N CYS A 62 6.951 -13.925 5.329 1.00 0.00 N ATOM 980 CA CYS A 62 6.070 -14.857 4.607 1.00 0.00 C ATOM 981 C CYS A 62 6.016 -16.223 5.300 1.00 0.00 C ATOM 982 O CYS A 62 4.994 -16.907 5.255 1.00 0.00 O ATOM 983 CB CYS A 62 6.748 -14.975 3.241 1.00 0.00 C ATOM 984 SG CYS A 62 6.633 -13.489 2.216 1.00 0.00 S ATOM 0 H CYS A 62 7.783 -13.642 4.812 1.00 0.00 H new ATOM 0 HA CYS A 62 5.037 -14.513 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.800 -15.217 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.303 -15.810 2.700 1.00 0.00 H new ATOM 0 HG CYS A 62 7.239 -13.694 1.085 1.00 0.00 H new ATOM 990 N GLU A 63 7.112 -16.609 5.965 1.00 0.00 N ATOM 991 CA GLU A 63 7.161 -17.891 6.690 1.00 0.00 C ATOM 992 C GLU A 63 5.897 -18.103 7.551 1.00 0.00 C ATOM 993 O GLU A 63 5.264 -19.161 7.510 1.00 0.00 O ATOM 994 CB GLU A 63 8.413 -17.957 7.568 1.00 0.00 C ATOM 995 CG GLU A 63 8.580 -19.266 8.326 1.00 0.00 C ATOM 996 CD GLU A 63 9.863 -19.283 9.110 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.590 -18.321 9.045 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.064 -20.208 9.861 1.00 0.00 O ATOM 0 H GLU A 63 7.970 -16.060 6.018 1.00 0.00 H new ATOM 0 HA GLU A 63 7.200 -18.690 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.291 -17.800 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.383 -17.137 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.736 -19.408 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.569 -20.099 7.624 1.00 0.00 H new ATOM 1005 N LEU A 64 5.550 -17.095 8.341 1.00 0.00 N ATOM 1006 CA LEU A 64 4.378 -17.137 9.217 1.00 0.00 C ATOM 1007 C LEU A 64 3.146 -16.655 8.435 1.00 0.00 C ATOM 1008 O LEU A 64 2.284 -17.451 8.065 1.00 0.00 O ATOM 1009 CB LEU A 64 4.605 -16.279 10.467 1.00 0.00 C ATOM 1010 CG LEU A 64 3.435 -16.247 11.458 1.00 0.00 C ATOM 1011 CD1 LEU A 64 3.161 -17.648 11.988 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.758 -15.292 12.598 1.00 0.00 C ATOM 0 H LEU A 64 6.073 -16.221 8.395 1.00 0.00 H new ATOM 0 HA LEU A 64 4.211 -18.162 9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.490 -16.648 10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.822 -15.258 10.153 1.00 0.00 H new ATOM 0 HG LEU A 64 2.538 -15.894 10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.329 -17.615 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.909 -18.308 11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.049 -18.025 12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.926 -15.270 13.301 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.658 -15.630 13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.922 -14.291 12.199 1.00 0.00 H new ATOM 1024 N ILE A 65 3.094 -15.342 8.187 1.00 0.00 N ATOM 1025 CA ILE A 65 2.003 -14.705 7.434 1.00 0.00 C ATOM 1026 C ILE A 65 2.350 -13.239 7.104 1.00 0.00 C ATOM 1027 O ILE A 65 3.130 -12.593 7.807 1.00 0.00 O ATOM 1028 CB ILE A 65 0.675 -14.752 8.212 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.493 -14.374 7.298 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.733 -13.827 9.418 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -1.848 -14.746 7.854 1.00 0.00 C ATOM 0 H ILE A 65 3.809 -14.687 8.503 1.00 0.00 H new ATOM 0 HA ILE A 65 1.883 -15.267 6.508 1.00 0.00 H new ATOM 0 HB ILE A 65 0.517 -15.770 8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.467 -13.299 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.360 -14.863 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.213 -13.872 9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.542 -14.140 10.078 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.912 -12.805 9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.625 -14.447 7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.894 -15.824 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.004 -14.236 8.805 1.00 0.00 H new ATOM 1043 N THR A 66 1.767 -12.714 6.024 1.00 0.00 N ATOM 1044 CA THR A 66 2.102 -11.363 5.533 1.00 0.00 C ATOM 1045 C THR A 66 0.933 -10.375 5.738 1.00 0.00 C ATOM 1046 O THR A 66 1.126 -9.161 5.794 1.00 0.00 O ATOM 1047 CB THR A 66 2.480 -11.387 4.040 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.354 -11.819 3.266 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.648 -12.332 3.802 1.00 0.00 C ATOM 0 H THR A 66 1.061 -13.198 5.469 1.00 0.00 H new ATOM 0 HA THR A 66 2.958 -11.026 6.117 1.00 0.00 H new ATOM 0 HB THR A 66 2.772 -10.381 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.452 -12.769 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.902 -12.337 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.510 -11.998 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.370 -13.339 4.113 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.281 -10.907 5.862 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.486 -10.109 5.659 1.00 0.00 C ATOM 1059 C GLY A 67 -2.060 -10.194 4.244 1.00 0.00 C ATOM 1060 O GLY A 67 -3.247 -9.929 4.032 1.00 0.00 O ATOM 0 H GLY A 67 -0.455 -11.883 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.247 -10.433 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.261 -9.067 5.886 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.221 -10.576 3.280 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.684 -10.940 1.934 1.00 0.00 C ATOM 1066 C GLU A 68 -1.785 -12.461 1.712 1.00 0.00 C ATOM 1067 O GLU A 68 -2.323 -12.908 0.700 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.754 -10.329 0.884 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.616 -8.816 0.970 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.961 -8.143 0.941 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.707 -8.389 0.024 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.287 -7.471 1.891 1.00 0.00 O ATOM 0 H GLU A 68 -0.211 -10.642 3.405 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.693 -10.540 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.234 -10.778 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.123 -10.592 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.092 -8.548 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.009 -8.456 0.140 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.257 -13.248 2.648 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.457 -14.708 2.639 1.00 0.00 C ATOM 1081 C PHE A 69 -2.628 -15.153 3.541 1.00 0.00 C ATOM 1082 O PHE A 69 -2.612 -16.256 4.093 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.171 -15.415 3.074 1.00 0.00 C ATOM 1084 CG PHE A 69 0.992 -15.175 2.154 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.791 -14.699 0.866 1.00 0.00 C ATOM 1086 CD2 PHE A 69 2.290 -15.426 2.574 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.860 -14.478 0.020 1.00 0.00 C ATOM 1088 CE2 PHE A 69 3.361 -15.205 1.730 1.00 0.00 C ATOM 1089 CZ PHE A 69 3.145 -14.732 0.451 1.00 0.00 C ATOM 0 H PHE A 69 -0.688 -12.907 3.423 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.711 -14.989 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.095 -15.081 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.359 -16.487 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.213 -14.499 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.465 -15.799 3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.689 -14.106 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.367 -15.402 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.981 -14.561 -0.211 1.00 0.00 H new ATOM 1099 N ASP A 70 -3.629 -14.288 3.689 1.00 0.00 N ATOM 1100 CA ASP A 70 -4.749 -14.524 4.610 1.00 0.00 C ATOM 1101 C ASP A 70 -5.729 -15.584 4.041 1.00 0.00 C ATOM 1102 O ASP A 70 -6.384 -15.350 3.024 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.488 -13.214 4.893 1.00 0.00 C ATOM 1104 CG ASP A 70 -6.657 -13.349 5.861 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -6.986 -14.456 6.213 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.107 -12.345 6.360 1.00 0.00 O ATOM 0 H ASP A 70 -3.691 -13.407 3.179 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.342 -14.909 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.779 -12.491 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.857 -12.808 3.951 1.00 0.00 H new ATOM 1111 N PRO A 71 -5.846 -16.761 4.700 1.00 0.00 N ATOM 1112 CA PRO A 71 -6.802 -17.828 4.301 1.00 0.00 C ATOM 1113 C PRO A 71 -8.275 -17.376 4.136 1.00 0.00 C ATOM 1114 O PRO A 71 -9.028 -17.996 3.379 1.00 0.00 O ATOM 1115 CB PRO A 71 -6.663 -18.856 5.428 1.00 0.00 C ATOM 1116 CG PRO A 71 -5.282 -18.649 5.949 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.049 -17.163 5.888 1.00 0.00 C ATOM 0 HA PRO A 71 -6.561 -18.203 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.409 -18.696 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.800 -19.872 5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.188 -19.020 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.550 -19.186 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.390 -16.661 6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.993 -16.922 5.768 1.00 0.00 H new ATOM 1125 N LYS A 72 -8.696 -16.319 4.831 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.073 -15.812 4.698 1.00 0.00 C ATOM 1127 C LYS A 72 -10.246 -15.010 3.392 1.00 0.00 C ATOM 1128 O LYS A 72 -11.330 -14.983 2.809 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.442 -14.946 5.904 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.567 -15.710 7.215 1.00 0.00 C ATOM 1131 CD LYS A 72 -10.941 -14.784 8.362 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.050 -15.546 9.676 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.395 -14.648 10.811 1.00 0.00 N ATOM 0 H LYS A 72 -8.114 -15.798 5.487 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.745 -16.670 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.687 -14.169 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.387 -14.444 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.322 -16.489 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.624 -16.208 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.192 -13.998 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.890 -14.295 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.809 -16.322 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.105 -16.048 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.460 -15.205 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.658 -13.922 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.309 -14.188 10.625 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.177 -14.352 2.945 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.220 -13.546 1.713 1.00 0.00 C ATOM 1149 C LEU A 73 -8.679 -14.324 0.500 1.00 0.00 C ATOM 1150 O LEU A 73 -8.789 -13.863 -0.637 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.427 -12.248 1.907 1.00 0.00 C ATOM 1152 CG LEU A 73 -8.949 -11.323 3.014 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.024 -10.124 3.172 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.363 -10.875 2.678 1.00 0.00 C ATOM 0 H LEU A 73 -8.270 -14.357 3.412 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.264 -13.306 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.391 -12.504 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.426 -11.698 0.966 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.969 -11.864 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.403 -9.473 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.024 -10.468 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.982 -9.571 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.733 -10.218 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.359 -10.338 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.012 -11.747 2.599 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.095 -15.495 0.741 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.531 -16.314 -0.341 1.00 0.00 C ATOM 1168 C LEU A 74 -8.609 -17.251 -0.923 1.00 0.00 C ATOM 1169 O LEU A 74 -9.104 -18.143 -0.229 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.333 -17.122 0.172 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.723 -18.099 -0.840 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.086 -17.331 -1.990 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.694 -18.978 -0.144 1.00 0.00 C ATOM 0 H LEU A 74 -7.998 -15.902 1.671 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.186 -15.653 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.558 -16.427 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.644 -17.684 1.053 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.509 -18.735 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.656 -18.034 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.844 -16.727 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.301 -16.681 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.261 -19.672 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.906 -18.353 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.177 -19.540 0.656 1.00 0.00 H new ATOM 1185 N PRO A 75 -8.989 -17.058 -2.205 1.00 0.00 N ATOM 1186 CA PRO A 75 -9.838 -18.016 -2.941 1.00 0.00 C ATOM 1187 C PRO A 75 -9.129 -19.346 -3.246 1.00 0.00 C ATOM 1188 O PRO A 75 -7.906 -19.400 -3.389 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.157 -17.265 -4.240 1.00 0.00 C ATOM 1190 CG PRO A 75 -8.972 -16.386 -4.463 1.00 0.00 C ATOM 1191 CD PRO A 75 -8.526 -15.946 -3.091 1.00 0.00 C ATOM 0 HA PRO A 75 -10.715 -18.306 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.302 -17.954 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.073 -16.681 -4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.177 -16.924 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.232 -15.529 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.445 -15.816 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.974 -14.993 -2.809 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.899 -20.428 -3.355 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.311 -21.765 -3.468 1.00 0.00 C ATOM 1201 C TYR A 76 -9.752 -22.500 -4.745 1.00 0.00 C ATOM 1202 O TYR A 76 -10.730 -23.247 -4.753 1.00 0.00 O ATOM 1203 CB TYR A 76 -9.673 -22.600 -2.238 1.00 0.00 C ATOM 1204 CG TYR A 76 -9.192 -22.008 -0.931 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -7.866 -22.127 -0.542 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -10.066 -21.333 -0.091 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -7.422 -21.588 0.649 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -9.632 -20.790 1.102 1.00 0.00 C ATOM 1209 CZ TYR A 76 -8.308 -20.920 1.469 1.00 0.00 C ATOM 1210 OH TYR A 76 -7.871 -20.382 2.658 1.00 0.00 O ATOM 0 H TYR A 76 -10.919 -20.408 -3.368 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.230 -21.635 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.756 -22.716 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.249 -23.598 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.170 -22.650 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.103 -21.231 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.386 -21.689 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.325 -20.267 1.744 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.435 -19.618 2.898 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.028 -22.256 -5.833 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.140 -23.072 -7.047 1.00 0.00 C ATOM 1222 C ASP A 77 -8.137 -24.234 -6.968 1.00 0.00 C ATOM 1223 O ASP A 77 -7.278 -24.241 -6.091 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.894 -22.229 -8.301 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.505 -22.800 -9.573 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.018 -23.892 -9.524 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.594 -22.081 -10.540 1.00 0.00 O ATOM 0 H ASP A 77 -8.352 -21.495 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.152 -23.471 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.296 -21.229 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.819 -22.120 -8.446 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.226 -25.201 -7.879 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.357 -26.388 -7.835 1.00 0.00 C ATOM 1234 C LYS A 78 -5.862 -25.999 -7.902 1.00 0.00 C ATOM 1235 O LYS A 78 -5.108 -26.180 -6.935 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.705 -27.343 -8.978 1.00 0.00 C ATOM 1237 CG LYS A 78 -6.878 -28.621 -9.003 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.306 -29.535 -10.140 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.464 -30.802 -10.181 1.00 0.00 C ATOM 1240 NZ LYS A 78 -6.868 -31.703 -11.294 1.00 0.00 N ATOM 0 H LYS A 78 -8.887 -25.192 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.530 -26.891 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.760 -27.608 -8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.573 -26.820 -9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.823 -28.371 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.985 -29.144 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.357 -29.798 -10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.216 -29.005 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.413 -30.536 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.559 -31.331 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.270 -32.554 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.864 -31.978 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.753 -31.207 -12.201 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.452 -25.420 -9.031 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.050 -25.040 -9.239 1.00 0.00 C ATOM 1256 C ARG A 79 -3.648 -23.857 -8.348 1.00 0.00 C ATOM 1257 O ARG A 79 -2.529 -23.814 -7.827 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.746 -24.759 -10.704 1.00 0.00 C ATOM 1259 CG ARG A 79 -3.723 -25.988 -11.599 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.530 -25.692 -13.041 1.00 0.00 C ATOM 1261 NE ARG A 79 -3.458 -26.867 -13.894 1.00 0.00 N ATOM 1262 CZ ARG A 79 -3.358 -26.833 -15.237 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -3.355 -25.690 -15.887 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -3.285 -27.982 -15.887 1.00 0.00 N ATOM 0 H ARG A 79 -6.067 -25.203 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.443 -25.896 -8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.491 -24.062 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.779 -24.261 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.924 -26.650 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.660 -26.531 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.351 -25.061 -13.382 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.613 -25.115 -13.161 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.485 -27.782 -13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.429 -24.811 -15.374 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.279 -25.682 -16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.305 -28.862 -15.371 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.209 -27.989 -16.904 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.559 -22.898 -8.191 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.305 -21.700 -7.378 1.00 0.00 C ATOM 1280 C LEU A 80 -4.010 -22.073 -5.913 1.00 0.00 C ATOM 1281 O LEU A 80 -2.921 -21.806 -5.399 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.503 -20.746 -7.456 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.374 -19.466 -6.620 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.260 -18.590 -7.175 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.700 -18.720 -6.624 1.00 0.00 C ATOM 0 H LEU A 80 -5.486 -22.924 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.425 -21.198 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.657 -20.466 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.396 -21.282 -7.135 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.122 -19.727 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.176 -17.684 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.317 -19.136 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.488 -18.322 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.608 -17.811 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.967 -18.459 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.476 -19.355 -6.197 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.980 -22.720 -5.263 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.850 -23.099 -3.853 1.00 0.00 C ATOM 1299 C ALA A 81 -3.627 -23.984 -3.605 1.00 0.00 C ATOM 1300 O ALA A 81 -2.820 -23.684 -2.729 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.110 -23.798 -3.360 1.00 0.00 C ATOM 0 H ALA A 81 -5.865 -22.993 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.712 -22.176 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.989 -24.069 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.963 -23.127 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.281 -24.698 -3.950 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.478 -25.063 -4.386 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.372 -26.005 -4.165 1.00 0.00 C ATOM 1309 C TRP A 82 -1.010 -25.304 -4.222 1.00 0.00 C ATOM 1310 O TRP A 82 -0.265 -25.315 -3.250 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.423 -27.133 -5.198 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.284 -28.099 -5.083 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.412 -28.215 -4.041 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.891 -29.086 -6.046 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.499 -29.210 -4.293 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.224 -29.762 -5.519 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.378 -29.464 -7.303 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.861 -30.788 -6.200 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.740 -30.493 -7.986 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.347 -31.136 -7.449 1.00 0.00 C ATOM 0 H TRP A 82 -4.096 -25.303 -5.161 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.491 -26.424 -3.166 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.362 -27.675 -5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.422 -26.700 -6.198 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.435 -27.611 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.256 -29.493 -3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.234 -28.965 -7.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.718 -31.296 -5.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.106 -30.792 -8.957 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.816 -31.932 -8.008 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.704 -24.672 -5.351 1.00 0.00 N ATOM 1332 CA HIS A 83 0.657 -24.185 -5.613 1.00 0.00 C ATOM 1333 C HIS A 83 0.957 -22.884 -4.860 1.00 0.00 C ATOM 1334 O HIS A 83 2.006 -22.753 -4.238 1.00 0.00 O ATOM 1335 CB HIS A 83 0.871 -23.976 -7.116 1.00 0.00 C ATOM 1336 CG HIS A 83 0.868 -25.246 -7.907 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.251 -25.709 -8.567 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.846 -26.152 -8.144 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.039 -26.846 -9.176 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.305 -27.135 -8.935 1.00 0.00 N ATOM 0 H HIS A 83 -1.372 -24.483 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 83 1.346 -24.947 -5.250 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.089 -23.319 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.821 -23.464 -7.271 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.160 -25.247 -8.583 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.862 -26.109 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.643 -27.437 -9.769 1.00 0.00 H new ATOM 1345 N PHE A 84 0.031 -21.932 -4.898 1.00 0.00 N ATOM 1346 CA PHE A 84 0.241 -20.640 -4.234 1.00 0.00 C ATOM 1347 C PHE A 84 0.323 -20.779 -2.696 1.00 0.00 C ATOM 1348 O PHE A 84 1.223 -20.228 -2.061 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.863 -19.655 -4.641 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.686 -19.086 -6.037 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.641 -19.920 -7.151 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.572 -17.715 -6.233 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.486 -19.397 -8.421 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.417 -17.190 -7.503 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.374 -18.031 -8.598 1.00 0.00 C ATOM 0 H PHE A 84 -0.866 -22.024 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 84 1.204 -20.250 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.828 -20.159 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.889 -18.834 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.728 -20.989 -7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.605 -17.051 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.452 -20.056 -9.276 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.330 -16.122 -7.639 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.253 -17.622 -9.590 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.606 -21.526 -2.096 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.639 -21.685 -0.630 1.00 0.00 C ATOM 1367 C LYS A 85 0.569 -22.494 -0.117 1.00 0.00 C ATOM 1368 O LYS A 85 1.245 -22.085 0.827 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.943 -22.359 -0.199 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.131 -22.455 1.310 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.475 -23.077 1.661 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.643 -23.219 3.167 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.900 -23.933 3.521 1.00 0.00 N ATOM 0 H LYS A 85 -1.342 -22.029 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.585 -20.689 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.781 -21.806 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.976 -23.363 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.328 -23.052 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.062 -21.461 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.279 -22.460 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.559 -24.056 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.790 -23.760 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.645 -22.231 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.977 -24.009 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.716 -23.404 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.887 -24.886 3.104 1.00 0.00 H new ATOM 1387 N GLU A 86 0.837 -23.631 -0.751 1.00 0.00 N ATOM 1388 CA GLU A 86 1.910 -24.546 -0.327 1.00 0.00 C ATOM 1389 C GLU A 86 3.303 -23.913 -0.495 1.00 0.00 C ATOM 1390 O GLU A 86 4.201 -24.140 0.315 1.00 0.00 O ATOM 1391 CB GLU A 86 1.833 -25.855 -1.116 1.00 0.00 C ATOM 1392 CG GLU A 86 0.666 -26.753 -0.731 1.00 0.00 C ATOM 1393 CD GLU A 86 0.750 -27.172 0.710 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.765 -27.699 1.098 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.154 -26.865 1.451 1.00 0.00 O ATOM 0 H GLU A 86 0.322 -23.950 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 86 1.764 -24.752 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.761 -25.621 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.762 -26.406 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.273 -26.227 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.659 -27.637 -1.369 1.00 0.00 H new ATOM 1402 N PHE A 87 3.470 -23.115 -1.543 1.00 0.00 N ATOM 1403 CA PHE A 87 4.761 -22.486 -1.847 1.00 0.00 C ATOM 1404 C PHE A 87 5.053 -21.301 -0.909 1.00 0.00 C ATOM 1405 O PHE A 87 6.138 -21.206 -0.337 1.00 0.00 O ATOM 1406 CB PHE A 87 4.770 -22.014 -3.308 1.00 0.00 C ATOM 1407 CG PHE A 87 6.128 -21.605 -3.831 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.051 -22.566 -4.222 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.472 -20.266 -3.953 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.288 -22.199 -4.716 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.706 -19.897 -4.452 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.615 -20.864 -4.831 1.00 0.00 C ATOM 0 H PHE A 87 2.727 -22.884 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 87 5.544 -23.229 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.380 -22.814 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.088 -21.169 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.799 -23.613 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.767 -19.504 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.998 -22.957 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.960 -18.851 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.581 -20.576 -5.217 1.00 0.00 H new ATOM 1422 N CYS A 88 4.077 -20.401 -0.754 1.00 0.00 N ATOM 1423 CA CYS A 88 4.303 -19.123 -0.055 1.00 0.00 C ATOM 1424 C CYS A 88 3.915 -19.171 1.434 1.00 0.00 C ATOM 1425 O CYS A 88 4.614 -18.625 2.284 1.00 0.00 O ATOM 1426 CB CYS A 88 3.377 -18.171 -0.812 1.00 0.00 C ATOM 1427 SG CYS A 88 3.802 -17.942 -2.556 1.00 0.00 S ATOM 0 H CYS A 88 3.126 -20.529 -1.100 1.00 0.00 H new ATOM 0 HA CYS A 88 5.355 -18.837 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.356 -18.548 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.391 -17.200 -0.317 1.00 0.00 H new ATOM 0 HG CYS A 88 2.846 -17.296 -3.155 1.00 0.00 H new ATOM 1433 N TYR A 89 2.800 -19.836 1.750 1.00 0.00 N ATOM 1434 CA TYR A 89 2.195 -19.745 3.094 1.00 0.00 C ATOM 1435 C TYR A 89 2.517 -20.976 3.965 1.00 0.00 C ATOM 1436 O TYR A 89 1.982 -21.139 5.064 1.00 0.00 O ATOM 1437 CB TYR A 89 0.671 -19.557 2.957 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.054 -19.314 4.273 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.282 -18.231 5.080 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.074 -20.160 4.706 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.372 -17.999 6.277 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.730 -19.933 5.902 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.375 -18.852 6.683 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.031 -18.619 7.874 1.00 0.00 O ATOM 0 H TYR A 89 2.296 -20.441 1.102 1.00 0.00 H new ATOM 0 HA TYR A 89 2.627 -18.883 3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.480 -18.716 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.249 -20.443 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.067 -17.559 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.356 -21.006 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.098 -17.153 6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.517 -20.599 6.224 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.711 -19.311 8.014 1.00 0.00 H new ATOM 1454 N LYS A 90 3.409 -21.835 3.484 1.00 0.00 N ATOM 1455 CA LYS A 90 3.882 -22.973 4.279 1.00 0.00 C ATOM 1456 C LYS A 90 4.562 -22.517 5.580 1.00 0.00 C ATOM 1457 O LYS A 90 5.648 -21.951 5.567 1.00 0.00 O ATOM 1458 CB LYS A 90 4.847 -23.828 3.456 1.00 0.00 C ATOM 1459 CG LYS A 90 4.947 -25.278 3.912 1.00 0.00 C ATOM 1460 CD LYS A 90 3.652 -26.033 3.648 1.00 0.00 C ATOM 1461 CE LYS A 90 3.765 -27.492 4.064 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.495 -28.233 3.843 1.00 0.00 N ATOM 0 H LYS A 90 3.820 -21.770 2.553 1.00 0.00 H new ATOM 0 HA LYS A 90 3.011 -23.569 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.531 -23.809 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.839 -23.377 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.769 -25.769 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.179 -25.311 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.836 -25.560 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.404 -25.973 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.566 -27.969 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.039 -27.549 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.655 -29.249 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.774 -27.894 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.166 -28.075 2.869 1.00 0.00 H new ATOM 1476 N THR A 91 3.910 -22.769 6.710 1.00 0.00 N ATOM 1477 CA THR A 91 4.506 -22.478 8.024 1.00 0.00 C ATOM 1478 C THR A 91 5.364 -23.641 8.553 1.00 0.00 C ATOM 1479 O THR A 91 6.158 -23.476 9.482 1.00 0.00 O ATOM 1480 CB THR A 91 3.422 -22.148 9.066 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.563 -23.282 9.240 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.594 -20.954 8.615 1.00 0.00 C ATOM 0 H THR A 91 2.974 -23.172 6.751 1.00 0.00 H new ATOM 0 HA THR A 91 5.152 -21.613 7.874 1.00 0.00 H new ATOM 0 HB THR A 91 3.909 -21.903 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.874 -23.072 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.833 -20.735 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.243 -20.087 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.112 -21.183 7.664 1.00 0.00 H new ATOM 1490 N SER A 92 5.208 -24.816 7.949 1.00 0.00 N ATOM 1491 CA SER A 92 5.977 -26.005 8.342 1.00 0.00 C ATOM 1492 C SER A 92 7.243 -26.167 7.488 1.00 0.00 C ATOM 1493 O SER A 92 7.295 -25.721 6.337 1.00 0.00 O ATOM 1494 CB SER A 92 5.109 -27.243 8.234 1.00 0.00 C ATOM 1495 OG SER A 92 4.055 -27.228 9.158 1.00 0.00 O ATOM 0 H SER A 92 4.555 -24.976 7.182 1.00 0.00 H new ATOM 0 HA SER A 92 6.291 -25.874 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.705 -27.315 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.721 -28.130 8.397 1.00 0.00 H new ATOM 0 HG SER A 92 3.518 -28.041 9.055 1.00 0.00 H new ATOM 1501 N ALA A 93 8.266 -26.789 8.069 1.00 0.00 N ATOM 1502 CA ALA A 93 9.514 -27.092 7.358 1.00 0.00 C ATOM 1503 C ALA A 93 10.075 -28.449 7.809 1.00 0.00 C ATOM 1504 O ALA A 93 11.046 -28.516 8.567 1.00 0.00 O ATOM 1505 CB ALA A 93 10.536 -25.980 7.576 1.00 0.00 C ATOM 0 H ALA A 93 8.258 -27.098 9.041 1.00 0.00 H new ATOM 0 HA ALA A 93 9.300 -27.152 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.455 -26.221 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.135 -25.038 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.749 -25.885 8.641 1.00 0.00 H new ATOM 1511 N HIS A 94 9.449 -29.524 7.344 1.00 0.00 N ATOM 1512 CA HIS A 94 9.799 -30.892 7.756 1.00 0.00 C ATOM 1513 C HIS A 94 10.581 -31.625 6.642 1.00 0.00 C ATOM 1514 O HIS A 94 11.126 -30.985 5.745 1.00 0.00 O ATOM 1515 CB HIS A 94 8.540 -31.683 8.125 1.00 0.00 C ATOM 1516 CG HIS A 94 7.752 -31.072 9.240 1.00 0.00 C ATOM 1517 ND1 HIS A 94 8.234 -30.979 10.529 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.513 -30.524 9.262 1.00 0.00 C ATOM 1519 CE1 HIS A 94 7.327 -30.398 11.295 1.00 0.00 C ATOM 1520 NE2 HIS A 94 6.275 -30.113 10.550 1.00 0.00 N ATOM 0 H HIS A 94 8.684 -29.479 6.671 1.00 0.00 H new ATOM 0 HA HIS A 94 10.440 -30.822 8.635 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.903 -31.766 7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.828 -32.696 8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.839 -30.428 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 94 7.429 -30.192 12.350 1.00 0.00 H new ATOM 0 HE2 HIS A 94 5.422 -29.660 10.879 1.00 0.00 H new ATOM 1525 N GLY A 95 10.671 -32.960 6.731 1.00 0.00 N ATOM 1526 CA GLY A 95 11.313 -33.762 5.683 1.00 0.00 C ATOM 1527 C GLY A 95 10.681 -33.594 4.299 1.00 0.00 C ATOM 1528 O GLY A 95 11.387 -33.606 3.293 1.00 0.00 O ATOM 0 H GLY A 95 10.309 -33.504 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.367 -33.490 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.270 -34.814 5.966 1.00 0.00 H new ATOM 1532 N ILE A 96 9.353 -33.444 4.250 1.00 0.00 N ATOM 1533 CA ILE A 96 8.639 -33.163 2.989 1.00 0.00 C ATOM 1534 C ILE A 96 7.767 -31.887 3.096 1.00 0.00 C ATOM 1535 O ILE A 96 6.559 -31.960 3.327 1.00 0.00 O ATOM 1536 CB ILE A 96 7.748 -34.348 2.577 1.00 0.00 C ATOM 1537 CG1 ILE A 96 8.567 -35.641 2.533 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.098 -34.081 1.228 1.00 0.00 C ATOM 1539 CD1 ILE A 96 7.754 -36.867 2.182 1.00 0.00 C ATOM 0 H ILE A 96 8.746 -33.512 5.067 1.00 0.00 H new ATOM 0 HA ILE A 96 9.403 -33.004 2.228 1.00 0.00 H new ATOM 0 HB ILE A 96 6.960 -34.464 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.369 -35.527 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.038 -35.795 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.471 -34.929 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.485 -33.182 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.871 -33.940 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.403 -37.743 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.968 -37.007 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.304 -36.736 1.198 1.00 0.00 H new ATOM 1551 N PRO A 97 8.378 -30.688 2.976 1.00 0.00 N ATOM 1552 CA PRO A 97 7.652 -29.417 3.063 1.00 0.00 C ATOM 1553 C PRO A 97 7.203 -28.854 1.697 1.00 0.00 C ATOM 1554 O PRO A 97 6.488 -27.856 1.640 1.00 0.00 O ATOM 1555 CB PRO A 97 8.709 -28.515 3.697 1.00 0.00 C ATOM 1556 CG PRO A 97 10.006 -28.967 3.093 1.00 0.00 C ATOM 1557 CD PRO A 97 9.865 -30.451 2.797 1.00 0.00 C ATOM 0 HA PRO A 97 6.717 -29.509 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.515 -27.465 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.720 -28.619 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.221 -28.411 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.834 -28.787 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.195 -30.695 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.457 -31.058 3.482 1.00 0.00 H new ATOM 1565 N MET A 98 7.628 -29.499 0.606 1.00 0.00 N ATOM 1566 CA MET A 98 7.500 -28.932 -0.745 1.00 0.00 C ATOM 1567 C MET A 98 6.080 -29.101 -1.315 1.00 0.00 C ATOM 1568 O MET A 98 5.194 -29.649 -0.661 1.00 0.00 O ATOM 1569 CB MET A 98 8.520 -29.581 -1.678 1.00 0.00 C ATOM 1570 CG MET A 98 9.972 -29.355 -1.280 1.00 0.00 C ATOM 1571 SD MET A 98 11.135 -30.074 -2.456 1.00 0.00 S ATOM 1572 CE MET A 98 12.670 -29.928 -1.546 1.00 0.00 C ATOM 0 H MET A 98 8.066 -30.420 0.630 1.00 0.00 H new ATOM 0 HA MET A 98 7.695 -27.862 -0.672 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.329 -30.654 -1.715 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.368 -29.195 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.160 -28.284 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.146 -29.786 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.450 -29.548 -2.206 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.534 -29.240 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.962 -30.907 -1.165 1.00 0.00 H new ATOM 1582 N ILE A 99 5.883 -28.630 -2.548 1.00 0.00 N ATOM 1583 CA ILE A 99 4.586 -28.732 -3.239 1.00 0.00 C ATOM 1584 C ILE A 99 4.061 -30.183 -3.281 1.00 0.00 C ATOM 1585 O ILE A 99 2.852 -30.416 -3.244 1.00 0.00 O ATOM 1586 CB ILE A 99 4.678 -28.192 -4.678 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.064 -26.710 -4.670 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.360 -28.398 -5.409 1.00 0.00 C ATOM 1589 CD1 ILE A 99 4.079 -25.829 -3.936 1.00 0.00 C ATOM 0 H ILE A 99 6.609 -28.169 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 99 3.886 -28.125 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 99 5.454 -28.746 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.047 -26.602 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.153 -26.361 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.443 -28.011 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.126 -29.462 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.565 -27.869 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.419 -24.794 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.100 -25.906 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.007 -26.151 -2.897 1.00 0.00 H new ATOM 1601 N GLY A 100 4.970 -31.156 -3.344 1.00 0.00 N ATOM 1602 CA GLY A 100 4.553 -32.556 -3.374 1.00 0.00 C ATOM 1603 C GLY A 100 5.597 -33.549 -2.854 1.00 0.00 C ATOM 1604 O GLY A 100 5.716 -33.770 -1.649 1.00 0.00 O ATOM 0 H GLY A 100 5.978 -31.006 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.644 -32.662 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.298 -32.823 -4.400 1.00 0.00 H new ATOM 1608 N GLU A 101 6.377 -34.119 -3.771 1.00 0.00 N ATOM 1609 CA GLU A 101 7.389 -35.126 -3.422 1.00 0.00 C ATOM 1610 C GLU A 101 8.779 -34.534 -3.142 1.00 0.00 C ATOM 1611 O GLU A 101 9.447 -34.024 -4.041 1.00 0.00 O ATOM 1612 CB GLU A 101 7.493 -36.162 -4.542 1.00 0.00 C ATOM 1613 CG GLU A 101 8.483 -37.286 -4.269 1.00 0.00 C ATOM 1614 CD GLU A 101 8.505 -38.281 -5.395 1.00 0.00 C ATOM 1615 OE1 GLU A 101 7.810 -38.072 -6.361 1.00 0.00 O ATOM 1616 OE2 GLU A 101 9.297 -39.193 -5.343 1.00 0.00 O ATOM 0 H GLU A 101 6.330 -33.902 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 101 7.054 -35.589 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.507 -36.596 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.782 -35.656 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.480 -36.869 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.216 -37.791 -3.340 1.00 0.00 H new ATOM 1623 N ALA A 102 9.201 -34.604 -1.884 1.00 0.00 N ATOM 1624 CA ALA A 102 10.517 -34.106 -1.476 1.00 0.00 C ATOM 1625 C ALA A 102 11.311 -35.216 -0.762 1.00 0.00 C ATOM 1626 O ALA A 102 11.152 -35.439 0.436 1.00 0.00 O ATOM 1627 CB ALA A 102 10.363 -32.882 -0.583 1.00 0.00 C ATOM 0 H ALA A 102 8.650 -35.002 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 102 11.074 -33.810 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.348 -32.522 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.838 -32.097 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.792 -33.150 0.306 1.00 0.00 H new ATOM 1633 N PRO A 103 12.168 -35.946 -1.504 1.00 0.00 N ATOM 1634 CA PRO A 103 12.972 -37.057 -0.948 1.00 0.00 C ATOM 1635 C PRO A 103 14.162 -36.587 -0.089 1.00 0.00 C ATOM 1636 O PRO A 103 15.319 -36.782 -0.464 1.00 0.00 O ATOM 1637 CB PRO A 103 13.442 -37.819 -2.192 1.00 0.00 C ATOM 1638 CG PRO A 103 13.550 -36.773 -3.249 1.00 0.00 C ATOM 1639 CD PRO A 103 12.405 -35.828 -2.993 1.00 0.00 C ATOM 0 HA PRO A 103 12.387 -37.667 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.400 -38.310 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.732 -38.597 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.507 -36.255 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.483 -37.212 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.657 -34.807 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.519 -36.109 -3.563 1.00 0.00 H new ATOM 1647 N LEU A 104 13.872 -35.959 1.058 1.00 0.00 N ATOM 1648 CA LEU A 104 14.916 -35.475 1.985 1.00 0.00 C ATOM 1649 C LEU A 104 15.914 -34.539 1.256 1.00 0.00 C ATOM 1650 O LEU A 104 17.105 -34.498 1.569 1.00 0.00 O ATOM 1651 CB LEU A 104 15.654 -36.662 2.616 1.00 0.00 C ATOM 1652 CG LEU A 104 14.764 -37.657 3.371 1.00 0.00 C ATOM 1653 CD1 LEU A 104 15.605 -38.811 3.901 1.00 0.00 C ATOM 1654 CD2 LEU A 104 14.053 -36.941 4.509 1.00 0.00 C ATOM 0 H LEU A 104 12.920 -35.771 1.372 1.00 0.00 H new ATOM 0 HA LEU A 104 14.434 -34.901 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.186 -37.198 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.407 -36.277 3.304 1.00 0.00 H new ATOM 0 HG LEU A 104 14.016 -38.064 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.965 -39.512 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.087 -39.322 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.366 -38.425 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.421 -37.648 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.791 -36.523 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.437 -36.138 4.105 1.00 0.00 H new ATOM 1666 N GLU A 105 15.401 -33.759 0.307 1.00 0.00 N ATOM 1667 CA GLU A 105 16.200 -32.750 -0.391 1.00 0.00 C ATOM 1668 C GLU A 105 16.219 -31.416 0.374 1.00 0.00 C ATOM 1669 O GLU A 105 15.236 -30.671 0.388 1.00 0.00 O ATOM 1670 CB GLU A 105 15.661 -32.536 -1.807 1.00 0.00 C ATOM 1671 CG GLU A 105 15.820 -33.738 -2.728 1.00 0.00 C ATOM 1672 CD GLU A 105 17.254 -33.923 -3.142 1.00 0.00 C ATOM 1673 OE1 GLU A 105 18.069 -33.113 -2.773 1.00 0.00 O ATOM 1674 OE2 GLU A 105 17.554 -34.934 -3.733 1.00 0.00 O ATOM 0 H GLU A 105 14.429 -33.806 0.001 1.00 0.00 H new ATOM 0 HA GLU A 105 17.224 -33.118 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.604 -32.278 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.172 -31.682 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.467 -34.636 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.198 -33.606 -3.613 1.00 0.00 H new ATOM 1681 N HIS A 106 17.340 -31.129 1.022 1.00 0.00 N ATOM 1682 CA HIS A 106 17.452 -29.948 1.876 1.00 0.00 C ATOM 1683 C HIS A 106 18.351 -28.894 1.213 1.00 0.00 C ATOM 1684 O HIS A 106 19.474 -28.656 1.657 1.00 0.00 O ATOM 1685 CB HIS A 106 18.001 -30.324 3.256 1.00 0.00 C ATOM 1686 CG HIS A 106 17.308 -31.494 3.882 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.997 -31.439 4.308 1.00 0.00 N ATOM 1688 CD2 HIS A 106 17.741 -32.747 4.154 1.00 0.00 C ATOM 1689 CE1 HIS A 106 15.655 -32.612 4.816 1.00 0.00 C ATOM 1690 NE2 HIS A 106 16.695 -33.421 4.733 1.00 0.00 N ATOM 0 H HIS A 106 18.186 -31.696 0.974 1.00 0.00 H new ATOM 0 HA HIS A 106 16.456 -29.526 2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.064 -30.549 3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.912 -29.463 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.726 -33.143 3.953 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.689 -32.865 5.228 1.00 0.00 H new ATOM 0 HE2 HIS A 106 16.718 -34.391 5.048 1.00 0.00 H new ATOM 1695 N HIS A 107 17.857 -28.286 0.134 1.00 0.00 N ATOM 1696 CA HIS A 107 18.657 -27.338 -0.655 1.00 0.00 C ATOM 1697 C HIS A 107 19.018 -26.086 0.162 1.00 0.00 C ATOM 1698 O HIS A 107 18.204 -25.591 0.944 1.00 0.00 O ATOM 1699 CB HIS A 107 17.907 -26.931 -1.928 1.00 0.00 C ATOM 1700 CG HIS A 107 18.759 -26.206 -2.922 1.00 0.00 C ATOM 1701 ND1 HIS A 107 19.038 -24.859 -2.820 1.00 0.00 N ATOM 1702 CD2 HIS A 107 19.395 -26.638 -4.036 1.00 0.00 C ATOM 1703 CE1 HIS A 107 19.809 -24.494 -3.831 1.00 0.00 C ATOM 1704 NE2 HIS A 107 20.039 -25.555 -4.582 1.00 0.00 N ATOM 0 H HIS A 107 16.910 -28.430 -0.216 1.00 0.00 H new ATOM 0 HA HIS A 107 19.583 -27.842 -0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.496 -27.824 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.063 -26.297 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.396 -27.646 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.186 -23.498 -4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.604 -25.568 -5.431 1.00 0.00 H new