USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 664 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 50 SER OG : rot 180:sc= -0.0569 USER MOD Set 1.2: A 54 ASN : amide:sc= 0.809 X(o=0.75,f=0.73) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -0.0117 F(o=-2.9,f=-0.31) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -0.297 F(o=-1.3,f=-0.31) USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.07 K(o=-0.07,f=-0.61) USER MOD Set 4.1: A 18 SER OG : rot -41:sc= 1.01 USER MOD Set 4.2: A 21 THR OG1 : rot -160:sc= 1.33 USER MOD Set 5.1: A 10 HIS : no HE2:sc= 0.621 K(o=0.86,f=-4!) USER MOD Set 5.2: A 16 GLN : amide:sc= 0.242 K(o=0.86,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.176 (180deg=-0.796) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00847 (180deg=-0.195) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-0.84) USER MOD Single : A 5 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.41) USER MOD Single : A 6 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=-0.0052) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 9 SER OG : rot -160:sc= -0.649 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -0.788 F(o=-1.5,f=-0.79) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 1.27 (180deg=1.06) USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= 0.807 (180deg=-0.958!) USER MOD Single : A 33 MET CE :methyl 172:sc=-0.000303 (180deg=-0.0963) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -118:sc= 1.39 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc=-0.00179 (180deg=-0.146) USER MOD Single : A 42 CYS SG : rot 180:sc= 0.314 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 159:sc= -0.108 (180deg=-0.61) USER MOD Single : A 51 SER OG : rot 70:sc= 0.737 USER MOD Single : A 55 SER OG : rot 82:sc= 0.0619 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 68:sc= -0.262 USER MOD Single : A 60 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.04!) USER MOD Single : A 62 SER OG : rot 100:sc= -0.322 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -1.48! (180deg=-4!) USER MOD Single : A 66 CYS SG : rot 10:sc= -4.87! USER MOD Single : A 67 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.086) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00246) USER MOD Single : A 75 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= 0.418 (180deg=0.0801!) USER MOD Single : A 78 LYS NZ :NH3+ 139:sc= 0.911! (180deg=-0.723!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc=-0.00877 (180deg=-0.175) USER MOD Single : A 82 MET CE :methyl -156:sc= 0 (180deg=-0.38) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.579 -4.722 17.721 1.00 43.51 N ATOM 2 CA MET A 1 24.275 -4.915 16.419 1.00 62.30 C ATOM 3 C MET A 1 23.717 -3.968 15.346 1.00 2.22 C ATOM 4 O MET A 1 24.433 -3.106 14.829 1.00 51.43 O ATOM 5 CB MET A 1 24.139 -6.371 15.955 1.00 13.30 C ATOM 6 CG MET A 1 24.785 -7.385 16.889 1.00 54.31 C ATOM 7 SD MET A 1 24.567 -9.082 16.321 1.00 34.35 S ATOM 8 CE MET A 1 25.350 -9.011 14.709 1.00 31.52 C ATOM 0 H1 MET A 1 24.102 -5.218 18.471 1.00 43.51 H new ATOM 0 H2 MET A 1 23.534 -3.707 17.944 1.00 43.51 H new ATOM 0 H3 MET A 1 22.614 -5.106 17.659 1.00 43.51 H new ATOM 0 HA MET A 1 25.330 -4.682 16.564 1.00 62.30 H new ATOM 0 HB2 MET A 1 23.081 -6.611 15.852 1.00 13.30 H new ATOM 0 HB3 MET A 1 24.586 -6.469 14.965 1.00 13.30 H new ATOM 0 HG2 MET A 1 25.850 -7.168 16.975 1.00 54.31 H new ATOM 0 HG3 MET A 1 24.356 -7.281 17.886 1.00 54.31 H new ATOM 0 HE1 MET A 1 25.614 -10.019 14.388 1.00 31.52 H new ATOM 0 HE2 MET A 1 24.661 -8.570 13.989 1.00 31.52 H new ATOM 0 HE3 MET A 1 26.251 -8.401 14.769 1.00 31.52 H new ATOM 20 N GLY A 2 22.438 -4.134 15.011 1.00 0.12 N ATOM 21 CA GLY A 2 21.791 -3.243 14.051 1.00 31.22 C ATOM 22 C GLY A 2 21.977 -3.674 12.597 1.00 44.04 C ATOM 23 O GLY A 2 21.464 -4.718 12.186 1.00 31.24 O ATOM 0 H GLY A 2 21.836 -4.868 15.385 1.00 0.12 H new ATOM 0 HA2 GLY A 2 20.725 -3.195 14.274 1.00 31.22 H new ATOM 0 HA3 GLY A 2 22.189 -2.236 14.177 1.00 31.22 H new ATOM 27 N HIS A 3 22.706 -2.863 11.822 1.00 1.12 N ATOM 28 CA HIS A 3 22.955 -3.112 10.389 1.00 1.03 C ATOM 29 C HIS A 3 21.705 -2.878 9.513 1.00 3.01 C ATOM 30 O HIS A 3 21.785 -2.187 8.495 1.00 70.34 O ATOM 31 CB HIS A 3 23.522 -4.523 10.149 1.00 61.22 C ATOM 32 CG HIS A 3 24.917 -4.710 10.669 1.00 2.42 C ATOM 33 ND1 HIS A 3 26.036 -4.341 9.957 1.00 34.11 N ATOM 34 CD2 HIS A 3 25.374 -5.235 11.831 1.00 41.22 C ATOM 35 CE1 HIS A 3 27.117 -4.633 10.651 1.00 40.11 C ATOM 36 NE2 HIS A 3 26.748 -5.176 11.794 1.00 45.21 N ATOM 0 H HIS A 3 23.144 -2.010 12.169 1.00 1.12 H new ATOM 0 HA HIS A 3 23.703 -2.380 10.085 1.00 1.03 H new ATOM 0 HB2 HIS A 3 22.866 -5.254 10.623 1.00 61.22 H new ATOM 0 HB3 HIS A 3 23.512 -4.732 9.079 1.00 61.22 H new ATOM 0 HD2 HIS A 3 24.772 -5.627 12.637 1.00 41.22 H new ATOM 0 HE1 HIS A 3 28.135 -4.457 10.336 1.00 40.11 H new ATOM 0 HE2 HIS A 3 27.377 -5.499 12.529 1.00 45.21 H new ATOM 45 N HIS A 4 20.561 -3.449 9.898 1.00 63.41 N ATOM 46 CA HIS A 4 19.316 -3.292 9.127 1.00 35.32 C ATOM 47 C HIS A 4 18.845 -1.823 9.078 1.00 71.12 C ATOM 48 O HIS A 4 18.138 -1.345 9.967 1.00 74.33 O ATOM 49 CB HIS A 4 18.206 -4.202 9.690 1.00 20.51 C ATOM 50 CG HIS A 4 17.810 -3.906 11.110 1.00 21.42 C ATOM 51 ND1 HIS A 4 16.654 -3.230 11.448 1.00 63.44 N ATOM 52 CD2 HIS A 4 18.412 -4.210 12.282 1.00 21.31 C ATOM 53 CE1 HIS A 4 16.570 -3.132 12.758 1.00 11.55 C ATOM 54 NE2 HIS A 4 17.621 -3.717 13.286 1.00 13.12 N ATOM 0 H HIS A 4 20.467 -4.023 10.736 1.00 63.41 H new ATOM 0 HA HIS A 4 19.531 -3.597 8.103 1.00 35.32 H new ATOM 0 HB2 HIS A 4 17.325 -4.112 9.055 1.00 20.51 H new ATOM 0 HB3 HIS A 4 18.539 -5.238 9.628 1.00 20.51 H new ATOM 0 HD2 HIS A 4 19.344 -4.743 12.404 1.00 21.31 H new ATOM 0 HE1 HIS A 4 15.772 -2.652 13.306 1.00 11.55 H new ATOM 0 HE2 HIS A 4 17.817 -3.792 14.284 1.00 13.12 H new ATOM 63 N HIS A 5 19.248 -1.111 8.030 1.00 42.52 N ATOM 64 CA HIS A 5 18.892 0.306 7.871 1.00 75.35 C ATOM 65 C HIS A 5 17.909 0.508 6.699 1.00 23.11 C ATOM 66 O HIS A 5 17.816 1.599 6.137 1.00 63.21 O ATOM 67 CB HIS A 5 20.170 1.137 7.662 1.00 24.31 C ATOM 68 CG HIS A 5 19.945 2.623 7.719 1.00 62.32 C ATOM 69 ND1 HIS A 5 19.630 3.295 8.881 1.00 70.55 N ATOM 70 CD2 HIS A 5 19.976 3.565 6.745 1.00 44.14 C ATOM 71 CE1 HIS A 5 19.475 4.574 8.621 1.00 11.21 C ATOM 72 NE2 HIS A 5 19.679 4.766 7.335 1.00 30.43 N ATOM 0 H HIS A 5 19.822 -1.487 7.275 1.00 42.52 H new ATOM 0 HA HIS A 5 18.390 0.644 8.778 1.00 75.35 H new ATOM 0 HB2 HIS A 5 20.900 0.860 8.422 1.00 24.31 H new ATOM 0 HB3 HIS A 5 20.604 0.882 6.695 1.00 24.31 H new ATOM 0 HD2 HIS A 5 20.194 3.400 5.700 1.00 44.14 H new ATOM 0 HE1 HIS A 5 19.223 5.338 9.341 1.00 11.21 H new ATOM 0 HE2 HIS A 5 19.625 5.664 6.855 1.00 30.43 H new ATOM 81 N HIS A 6 17.159 -0.548 6.366 1.00 61.12 N ATOM 82 CA HIS A 6 16.211 -0.533 5.239 1.00 64.15 C ATOM 83 C HIS A 6 16.961 -0.444 3.895 1.00 74.34 C ATOM 84 O HIS A 6 17.752 0.475 3.669 1.00 31.13 O ATOM 85 CB HIS A 6 15.199 0.622 5.379 1.00 71.33 C ATOM 86 CG HIS A 6 13.968 0.456 4.535 1.00 2.24 C ATOM 87 ND1 HIS A 6 12.725 0.201 5.069 1.00 33.23 N ATOM 88 CD2 HIS A 6 13.791 0.506 3.193 1.00 23.44 C ATOM 89 CE1 HIS A 6 11.840 0.101 4.101 1.00 22.13 C ATOM 90 NE2 HIS A 6 12.458 0.280 2.952 1.00 54.34 N ATOM 0 H HIS A 6 17.189 -1.436 6.866 1.00 61.12 H new ATOM 0 HA HIS A 6 15.654 -1.470 5.258 1.00 64.15 H new ATOM 0 HB2 HIS A 6 14.902 0.708 6.424 1.00 71.33 H new ATOM 0 HB3 HIS A 6 15.690 1.557 5.109 1.00 71.33 H new ATOM 0 HD2 HIS A 6 14.555 0.689 2.452 1.00 23.44 H new ATOM 0 HE1 HIS A 6 10.785 -0.095 4.227 1.00 22.13 H new ATOM 0 HE2 HIS A 6 12.018 0.255 2.032 1.00 54.34 H new ATOM 99 N HIS A 7 16.706 -1.397 3.001 1.00 0.02 N ATOM 100 CA HIS A 7 17.451 -1.494 1.735 1.00 11.45 C ATOM 101 C HIS A 7 17.057 -0.398 0.730 1.00 54.33 C ATOM 102 O HIS A 7 15.911 0.056 0.691 1.00 21.44 O ATOM 103 CB HIS A 7 17.241 -2.875 1.098 1.00 33.42 C ATOM 104 CG HIS A 7 17.736 -4.010 1.938 1.00 34.42 C ATOM 105 ND1 HIS A 7 19.067 -4.351 2.035 1.00 63.04 N ATOM 106 CD2 HIS A 7 17.072 -4.893 2.720 1.00 63.42 C ATOM 107 CE1 HIS A 7 19.199 -5.388 2.833 1.00 51.44 C ATOM 108 NE2 HIS A 7 18.007 -5.738 3.263 1.00 41.32 N ATOM 0 H HIS A 7 15.992 -2.115 3.124 1.00 0.02 H new ATOM 0 HA HIS A 7 18.504 -1.352 1.979 1.00 11.45 H new ATOM 0 HB2 HIS A 7 16.178 -3.017 0.903 1.00 33.42 H new ATOM 0 HB3 HIS A 7 17.749 -2.901 0.134 1.00 33.42 H new ATOM 0 HD2 HIS A 7 16.005 -4.926 2.886 1.00 63.42 H new ATOM 0 HE1 HIS A 7 20.130 -5.871 3.092 1.00 51.44 H new ATOM 0 HE2 HIS A 7 17.809 -6.512 3.897 1.00 41.32 H new ATOM 117 N HIS A 8 18.026 0.022 -0.085 1.00 32.15 N ATOM 118 CA HIS A 8 17.767 0.952 -1.185 1.00 21.13 C ATOM 119 C HIS A 8 17.206 0.187 -2.398 1.00 54.23 C ATOM 120 O HIS A 8 17.936 -0.543 -3.076 1.00 44.40 O ATOM 121 CB HIS A 8 19.057 1.689 -1.572 1.00 1.41 C ATOM 122 CG HIS A 8 19.639 2.531 -0.470 1.00 74.11 C ATOM 123 ND1 HIS A 8 20.434 2.023 0.535 1.00 33.14 N ATOM 124 CD2 HIS A 8 19.548 3.862 -0.228 1.00 34.24 C ATOM 125 CE1 HIS A 8 20.805 2.998 1.340 1.00 23.33 C ATOM 126 NE2 HIS A 8 20.284 4.123 0.903 1.00 22.05 N ATOM 0 H HIS A 8 19.000 -0.268 -0.003 1.00 32.15 H new ATOM 0 HA HIS A 8 17.031 1.687 -0.860 1.00 21.13 H new ATOM 0 HB2 HIS A 8 19.801 0.957 -1.886 1.00 1.41 H new ATOM 0 HB3 HIS A 8 18.854 2.326 -2.433 1.00 1.41 H new ATOM 0 HD2 HIS A 8 18.999 4.583 -0.815 1.00 34.24 H new ATOM 0 HE1 HIS A 8 21.432 2.891 2.213 1.00 23.33 H new ATOM 0 HE2 HIS A 8 20.406 5.040 1.333 1.00 22.05 H new ATOM 135 N SER A 9 15.907 0.335 -2.657 1.00 1.14 N ATOM 136 CA SER A 9 15.237 -0.433 -3.721 1.00 50.11 C ATOM 137 C SER A 9 14.255 0.431 -4.523 1.00 31.34 C ATOM 138 O SER A 9 14.146 1.639 -4.308 1.00 11.41 O ATOM 139 CB SER A 9 14.479 -1.625 -3.118 1.00 42.23 C ATOM 140 OG SER A 9 13.427 -1.187 -2.273 1.00 32.02 O ATOM 0 H SER A 9 15.295 0.975 -2.151 1.00 1.14 H new ATOM 0 HA SER A 9 16.014 -0.786 -4.399 1.00 50.11 H new ATOM 0 HB2 SER A 9 14.073 -2.244 -3.918 1.00 42.23 H new ATOM 0 HB3 SER A 9 15.169 -2.249 -2.551 1.00 42.23 H new ATOM 0 HG SER A 9 13.170 -1.913 -1.667 1.00 32.02 H new ATOM 146 N HIS A 10 13.529 -0.204 -5.441 1.00 1.21 N ATOM 147 CA HIS A 10 12.552 0.498 -6.283 1.00 21.23 C ATOM 148 C HIS A 10 11.180 0.636 -5.589 1.00 13.42 C ATOM 149 O HIS A 10 10.164 0.793 -6.258 1.00 51.23 O ATOM 150 CB HIS A 10 12.371 -0.247 -7.614 1.00 74.32 C ATOM 151 CG HIS A 10 13.637 -0.448 -8.382 1.00 3.43 C ATOM 152 ND1 HIS A 10 14.350 -1.627 -8.362 1.00 3.34 N ATOM 153 CD2 HIS A 10 14.308 0.378 -9.215 1.00 5.23 C ATOM 154 CE1 HIS A 10 15.399 -1.516 -9.148 1.00 31.34 C ATOM 155 NE2 HIS A 10 15.398 -0.312 -9.678 1.00 31.43 N ATOM 0 H HIS A 10 13.596 -1.205 -5.624 1.00 1.21 H new ATOM 0 HA HIS A 10 12.943 1.499 -6.462 1.00 21.23 H new ATOM 0 HB2 HIS A 10 11.922 -1.220 -7.414 1.00 74.32 H new ATOM 0 HB3 HIS A 10 11.667 0.307 -8.235 1.00 74.32 H new ATOM 0 HD1 HIS A 10 14.103 -2.456 -7.822 1.00 3.34 H new ATOM 0 HD2 HIS A 10 14.036 1.392 -9.468 1.00 5.23 H new ATOM 0 HE1 HIS A 10 16.137 -2.284 -9.328 1.00 31.34 H new ATOM 164 N MET A 11 11.148 0.593 -4.255 1.00 53.40 N ATOM 165 CA MET A 11 9.880 0.712 -3.515 1.00 42.31 C ATOM 166 C MET A 11 9.344 2.158 -3.491 1.00 14.21 C ATOM 167 O MET A 11 8.149 2.379 -3.278 1.00 11.24 O ATOM 168 CB MET A 11 10.032 0.184 -2.083 1.00 33.22 C ATOM 169 CG MET A 11 10.240 -1.323 -2.001 1.00 14.20 C ATOM 170 SD MET A 11 10.284 -1.923 -0.298 1.00 63.15 S ATOM 171 CE MET A 11 10.461 -3.687 -0.564 1.00 64.52 C ATOM 0 H MET A 11 11.973 0.478 -3.666 1.00 53.40 H new ATOM 0 HA MET A 11 9.150 0.102 -4.047 1.00 42.31 H new ATOM 0 HB2 MET A 11 10.877 0.684 -1.609 1.00 33.22 H new ATOM 0 HB3 MET A 11 9.143 0.450 -1.512 1.00 33.22 H new ATOM 0 HG2 MET A 11 9.438 -1.827 -2.540 1.00 14.20 H new ATOM 0 HG3 MET A 11 11.173 -1.585 -2.500 1.00 14.20 H new ATOM 0 HE1 MET A 11 10.503 -4.198 0.398 1.00 64.52 H new ATOM 0 HE2 MET A 11 9.609 -4.056 -1.134 1.00 64.52 H new ATOM 0 HE3 MET A 11 11.379 -3.881 -1.118 1.00 64.52 H new ATOM 181 N LEU A 12 10.226 3.138 -3.692 1.00 13.43 N ATOM 182 CA LEU A 12 9.806 4.545 -3.760 1.00 12.44 C ATOM 183 C LEU A 12 8.984 4.816 -5.044 1.00 11.22 C ATOM 184 O LEU A 12 7.891 5.388 -4.972 1.00 54.44 O ATOM 185 CB LEU A 12 11.020 5.498 -3.655 1.00 74.13 C ATOM 186 CG LEU A 12 11.697 5.574 -2.269 1.00 54.24 C ATOM 187 CD1 LEU A 12 12.274 4.221 -1.849 1.00 64.14 C ATOM 188 CD2 LEU A 12 12.789 6.643 -2.264 1.00 74.13 C ATOM 0 H LEU A 12 11.228 2.989 -3.810 1.00 13.43 H new ATOM 0 HA LEU A 12 9.160 4.744 -2.905 1.00 12.44 H new ATOM 0 HB2 LEU A 12 11.766 5.187 -4.386 1.00 74.13 H new ATOM 0 HB3 LEU A 12 10.696 6.500 -3.936 1.00 74.13 H new ATOM 0 HG LEU A 12 10.932 5.848 -1.543 1.00 54.24 H new ATOM 0 HD11 LEU A 12 12.742 4.314 -0.869 1.00 64.14 H new ATOM 0 HD12 LEU A 12 11.473 3.483 -1.800 1.00 64.14 H new ATOM 0 HD13 LEU A 12 13.018 3.901 -2.578 1.00 64.14 H new ATOM 0 HD21 LEU A 12 13.255 6.682 -1.279 1.00 74.13 H new ATOM 0 HD22 LEU A 12 13.542 6.397 -3.012 1.00 74.13 H new ATOM 0 HD23 LEU A 12 12.350 7.613 -2.497 1.00 74.13 H new ATOM 200 N PRO A 13 9.492 4.424 -6.237 1.00 52.31 N ATOM 201 CA PRO A 13 8.697 4.438 -7.478 1.00 44.34 C ATOM 202 C PRO A 13 7.836 3.157 -7.639 1.00 13.25 C ATOM 203 O PRO A 13 7.781 2.322 -6.733 1.00 62.11 O ATOM 204 CB PRO A 13 9.788 4.514 -8.552 1.00 71.05 C ATOM 205 CG PRO A 13 10.921 3.732 -7.981 1.00 34.50 C ATOM 206 CD PRO A 13 10.881 3.973 -6.491 1.00 10.34 C ATOM 0 HA PRO A 13 7.974 5.253 -7.517 1.00 44.34 H new ATOM 0 HB2 PRO A 13 9.447 4.089 -9.496 1.00 71.05 H new ATOM 0 HB3 PRO A 13 10.078 5.545 -8.753 1.00 71.05 H new ATOM 0 HG2 PRO A 13 10.817 2.671 -8.208 1.00 34.50 H new ATOM 0 HG3 PRO A 13 11.872 4.057 -8.404 1.00 34.50 H new ATOM 0 HD2 PRO A 13 11.114 3.066 -5.934 1.00 10.34 H new ATOM 0 HD3 PRO A 13 11.607 4.728 -6.189 1.00 10.34 H new ATOM 214 N PRO A 14 7.109 2.997 -8.772 1.00 64.43 N ATOM 215 CA PRO A 14 6.412 1.729 -9.087 1.00 63.33 C ATOM 216 C PRO A 14 7.393 0.589 -9.458 1.00 24.40 C ATOM 217 O PRO A 14 8.535 0.569 -8.995 1.00 14.23 O ATOM 218 CB PRO A 14 5.529 2.113 -10.287 1.00 3.13 C ATOM 219 CG PRO A 14 6.247 3.249 -10.933 1.00 63.35 C ATOM 220 CD PRO A 14 6.865 4.028 -9.806 1.00 33.02 C ATOM 0 HA PRO A 14 5.853 1.339 -8.236 1.00 63.33 H new ATOM 0 HB2 PRO A 14 5.410 1.276 -10.975 1.00 3.13 H new ATOM 0 HB3 PRO A 14 4.530 2.407 -9.966 1.00 3.13 H new ATOM 0 HG2 PRO A 14 7.009 2.889 -11.625 1.00 63.35 H new ATOM 0 HG3 PRO A 14 5.561 3.870 -11.509 1.00 63.35 H new ATOM 0 HD2 PRO A 14 7.790 4.515 -10.114 1.00 33.02 H new ATOM 0 HD3 PRO A 14 6.198 4.810 -9.444 1.00 33.02 H new ATOM 228 N GLU A 15 6.924 -0.372 -10.271 1.00 11.54 N ATOM 229 CA GLU A 15 7.766 -1.475 -10.786 1.00 1.10 C ATOM 230 C GLU A 15 8.035 -2.567 -9.732 1.00 75.30 C ATOM 231 O GLU A 15 7.765 -3.745 -9.969 1.00 12.11 O ATOM 232 CB GLU A 15 9.107 -0.948 -11.330 1.00 65.22 C ATOM 233 CG GLU A 15 10.019 -2.044 -11.875 1.00 31.31 C ATOM 234 CD GLU A 15 11.427 -1.549 -12.164 1.00 71.13 C ATOM 235 OE1 GLU A 15 11.591 -0.709 -13.071 1.00 53.12 O ATOM 236 OE2 GLU A 15 12.376 -2.005 -11.491 1.00 51.01 O ATOM 0 H GLU A 15 5.956 -0.410 -10.591 1.00 11.54 H new ATOM 0 HA GLU A 15 7.196 -1.928 -11.597 1.00 1.10 H new ATOM 0 HB2 GLU A 15 8.909 -0.225 -12.121 1.00 65.22 H new ATOM 0 HB3 GLU A 15 9.628 -0.416 -10.534 1.00 65.22 H new ATOM 0 HG2 GLU A 15 10.067 -2.862 -11.156 1.00 31.31 H new ATOM 0 HG3 GLU A 15 9.586 -2.449 -12.790 1.00 31.31 H new ATOM 243 N GLN A 16 8.565 -2.178 -8.572 1.00 0.04 N ATOM 244 CA GLN A 16 8.982 -3.139 -7.533 1.00 75.52 C ATOM 245 C GLN A 16 7.787 -3.847 -6.866 1.00 42.23 C ATOM 246 O GLN A 16 7.962 -4.674 -5.969 1.00 15.13 O ATOM 247 CB GLN A 16 9.805 -2.410 -6.461 1.00 2.35 C ATOM 248 CG GLN A 16 10.700 -3.321 -5.621 1.00 70.45 C ATOM 249 CD GLN A 16 11.841 -3.915 -6.430 1.00 0.50 C ATOM 250 OE1 GLN A 16 12.917 -3.334 -6.526 1.00 14.42 O ATOM 251 NE2 GLN A 16 11.619 -5.072 -7.020 1.00 15.30 N ATOM 0 H GLN A 16 8.719 -1.201 -8.321 1.00 0.04 H new ATOM 0 HA GLN A 16 9.582 -3.905 -8.024 1.00 75.52 H new ATOM 0 HB2 GLN A 16 10.427 -1.659 -6.947 1.00 2.35 H new ATOM 0 HB3 GLN A 16 9.124 -1.878 -5.797 1.00 2.35 H new ATOM 0 HG2 GLN A 16 11.108 -2.754 -4.784 1.00 70.45 H new ATOM 0 HG3 GLN A 16 10.100 -4.127 -5.198 1.00 70.45 H new ATOM 0 HE21 GLN A 16 10.713 -5.530 -6.921 1.00 15.30 H new ATOM 0 HE22 GLN A 16 12.353 -5.510 -7.576 1.00 15.30 H new ATOM 260 N TRP A 17 6.578 -3.520 -7.308 1.00 25.55 N ATOM 261 CA TRP A 17 5.354 -4.049 -6.699 1.00 54.02 C ATOM 262 C TRP A 17 4.817 -5.270 -7.469 1.00 53.32 C ATOM 263 O TRP A 17 4.922 -5.344 -8.696 1.00 51.05 O ATOM 264 CB TRP A 17 4.295 -2.941 -6.636 1.00 51.11 C ATOM 265 CG TRP A 17 4.771 -1.706 -5.925 1.00 45.13 C ATOM 266 CD1 TRP A 17 5.654 -0.778 -6.400 1.00 24.05 C ATOM 267 CD2 TRP A 17 4.395 -1.270 -4.614 1.00 32.31 C ATOM 268 NE1 TRP A 17 5.852 0.209 -5.464 1.00 4.32 N ATOM 269 CE2 TRP A 17 5.088 -0.069 -4.361 1.00 13.50 C ATOM 270 CE3 TRP A 17 3.538 -1.777 -3.631 1.00 1.44 C ATOM 271 CZ2 TRP A 17 4.950 0.630 -3.163 1.00 21.24 C ATOM 272 CZ3 TRP A 17 3.399 -1.081 -2.444 1.00 73.00 C ATOM 273 CH2 TRP A 17 4.103 0.111 -2.218 1.00 5.30 C ATOM 0 H TRP A 17 6.414 -2.887 -8.091 1.00 25.55 H new ATOM 0 HA TRP A 17 5.590 -4.384 -5.689 1.00 54.02 H new ATOM 0 HB2 TRP A 17 3.995 -2.676 -7.650 1.00 51.11 H new ATOM 0 HB3 TRP A 17 3.408 -3.324 -6.131 1.00 51.11 H new ATOM 0 HD1 TRP A 17 6.128 -0.815 -7.370 1.00 24.05 H new ATOM 0 HE1 TRP A 17 6.467 1.016 -5.573 1.00 4.32 H new ATOM 0 HE3 TRP A 17 2.995 -2.696 -3.796 1.00 1.44 H new ATOM 0 HZ2 TRP A 17 5.491 1.548 -2.985 1.00 21.24 H new ATOM 0 HZ3 TRP A 17 2.738 -1.461 -1.679 1.00 73.00 H new ATOM 0 HH2 TRP A 17 3.975 0.631 -1.280 1.00 5.30 H new ATOM 284 N SER A 18 4.248 -6.225 -6.734 1.00 42.23 N ATOM 285 CA SER A 18 3.698 -7.454 -7.329 1.00 32.35 C ATOM 286 C SER A 18 2.412 -7.899 -6.598 1.00 3.35 C ATOM 287 O SER A 18 1.630 -7.062 -6.137 1.00 34.20 O ATOM 288 CB SER A 18 4.754 -8.571 -7.279 1.00 1.13 C ATOM 289 OG SER A 18 5.054 -8.941 -5.941 1.00 61.11 O ATOM 0 H SER A 18 4.153 -6.175 -5.720 1.00 42.23 H new ATOM 0 HA SER A 18 3.438 -7.249 -8.368 1.00 32.35 H new ATOM 0 HB2 SER A 18 4.391 -9.441 -7.826 1.00 1.13 H new ATOM 0 HB3 SER A 18 5.663 -8.237 -7.778 1.00 1.13 H new ATOM 0 HG SER A 18 5.103 -8.137 -5.382 1.00 61.11 H new ATOM 295 N HIS A 19 2.186 -9.217 -6.504 1.00 12.13 N ATOM 296 CA HIS A 19 0.973 -9.767 -5.868 1.00 12.01 C ATOM 297 C HIS A 19 0.767 -9.241 -4.432 1.00 34.20 C ATOM 298 O HIS A 19 -0.223 -8.563 -4.143 1.00 41.21 O ATOM 299 CB HIS A 19 1.035 -11.304 -5.822 1.00 12.03 C ATOM 300 CG HIS A 19 1.222 -11.962 -7.156 1.00 21.43 C ATOM 301 ND1 HIS A 19 0.355 -12.172 -8.177 1.00 31.11 N flip ATOM 302 CD2 HIS A 19 2.416 -12.525 -7.554 1.00 35.11 C flip ATOM 303 CE1 HIS A 19 1.039 -12.850 -9.152 1.00 44.30 C flip ATOM 304 NE2 HIS A 19 2.276 -13.050 -8.753 1.00 30.31 N flip ATOM 0 H HIS A 19 2.827 -9.926 -6.860 1.00 12.13 H new ATOM 0 HA HIS A 19 0.132 -9.438 -6.479 1.00 12.01 H new ATOM 0 HB2 HIS A 19 1.854 -11.602 -5.167 1.00 12.03 H new ATOM 0 HB3 HIS A 19 0.115 -11.678 -5.373 1.00 12.03 H new ATOM 0 HD1 HIS A 19 -0.622 -11.880 -8.213 1.00 31.11 H new ATOM 0 HD2 HIS A 19 3.326 -12.534 -6.972 1.00 35.11 H new ATOM 0 HE1 HIS A 19 0.627 -13.169 -10.098 1.00 44.30 H new ATOM 313 N THR A 20 1.712 -9.560 -3.545 1.00 63.03 N ATOM 314 CA THR A 20 1.545 -9.319 -2.098 1.00 14.31 C ATOM 315 C THR A 20 2.334 -8.090 -1.598 1.00 53.35 C ATOM 316 O THR A 20 2.189 -7.682 -0.448 1.00 3.43 O ATOM 317 CB THR A 20 1.989 -10.567 -1.286 1.00 23.02 C ATOM 318 OG1 THR A 20 1.384 -11.746 -1.839 1.00 51.42 O ATOM 319 CG2 THR A 20 1.604 -10.457 0.188 1.00 54.33 C ATOM 0 H THR A 20 2.604 -9.986 -3.797 1.00 63.03 H new ATOM 0 HA THR A 20 0.485 -9.121 -1.942 1.00 14.31 H new ATOM 0 HB THR A 20 3.075 -10.628 -1.351 1.00 23.02 H new ATOM 0 HG1 THR A 20 1.668 -12.531 -1.325 1.00 51.42 H new ATOM 0 HG21 THR A 20 1.934 -11.351 0.718 1.00 54.33 H new ATOM 0 HG22 THR A 20 2.082 -9.580 0.624 1.00 54.33 H new ATOM 0 HG23 THR A 20 0.522 -10.362 0.275 1.00 54.33 H new ATOM 327 N THR A 21 3.143 -7.486 -2.470 1.00 51.21 N ATOM 328 CA THR A 21 4.014 -6.350 -2.088 1.00 33.01 C ATOM 329 C THR A 21 3.251 -5.233 -1.347 1.00 54.21 C ATOM 330 O THR A 21 3.835 -4.485 -0.557 1.00 52.34 O ATOM 331 CB THR A 21 4.699 -5.732 -3.331 1.00 74.11 C ATOM 332 OG1 THR A 21 5.236 -6.770 -4.163 1.00 70.42 O ATOM 333 CG2 THR A 21 5.820 -4.771 -2.931 1.00 13.33 C ATOM 0 H THR A 21 3.220 -7.758 -3.450 1.00 51.21 H new ATOM 0 HA THR A 21 4.760 -6.766 -1.411 1.00 33.01 H new ATOM 0 HB THR A 21 3.944 -5.170 -3.881 1.00 74.11 H new ATOM 0 HG1 THR A 21 5.921 -6.394 -4.754 1.00 70.42 H new ATOM 0 HG21 THR A 21 6.280 -4.355 -3.827 1.00 13.33 H new ATOM 0 HG22 THR A 21 5.408 -3.963 -2.326 1.00 13.33 H new ATOM 0 HG23 THR A 21 6.572 -5.309 -2.354 1.00 13.33 H new ATOM 341 N VAL A 22 1.947 -5.128 -1.606 1.00 23.55 N ATOM 342 CA VAL A 22 1.097 -4.113 -0.965 1.00 55.42 C ATOM 343 C VAL A 22 1.071 -4.272 0.568 1.00 42.55 C ATOM 344 O VAL A 22 0.964 -3.288 1.304 1.00 71.44 O ATOM 345 CB VAL A 22 -0.352 -4.172 -1.519 1.00 12.54 C ATOM 346 CG1 VAL A 22 -1.226 -3.087 -0.892 1.00 72.44 C ATOM 347 CG2 VAL A 22 -0.346 -4.053 -3.043 1.00 44.35 C ATOM 0 H VAL A 22 1.450 -5.735 -2.258 1.00 23.55 H new ATOM 0 HA VAL A 22 1.532 -3.142 -1.201 1.00 55.42 H new ATOM 0 HB VAL A 22 -0.779 -5.138 -1.250 1.00 12.54 H new ATOM 0 HG11 VAL A 22 -2.235 -3.152 -1.299 1.00 72.44 H new ATOM 0 HG12 VAL A 22 -1.260 -3.227 0.188 1.00 72.44 H new ATOM 0 HG13 VAL A 22 -0.807 -2.107 -1.118 1.00 72.44 H new ATOM 0 HG21 VAL A 22 -1.370 -4.096 -3.415 1.00 44.35 H new ATOM 0 HG22 VAL A 22 0.106 -3.104 -3.332 1.00 44.35 H new ATOM 0 HG23 VAL A 22 0.230 -4.874 -3.470 1.00 44.35 H new ATOM 357 N ARG A 23 1.194 -5.513 1.043 1.00 52.20 N ATOM 358 CA ARG A 23 1.218 -5.801 2.485 1.00 3.31 C ATOM 359 C ARG A 23 2.346 -5.032 3.192 1.00 54.41 C ATOM 360 O ARG A 23 2.169 -4.534 4.305 1.00 42.22 O ATOM 361 CB ARG A 23 1.384 -7.313 2.716 1.00 64.12 C ATOM 362 CG ARG A 23 1.495 -7.704 4.187 1.00 61.53 C ATOM 363 CD ARG A 23 1.570 -9.213 4.373 1.00 13.30 C ATOM 364 NE ARG A 23 1.811 -9.571 5.771 1.00 31.12 N ATOM 365 CZ ARG A 23 0.901 -10.031 6.584 1.00 64.05 C ATOM 366 NH1 ARG A 23 -0.316 -10.231 6.179 1.00 43.21 N ATOM 367 NH2 ARG A 23 1.215 -10.294 7.813 1.00 4.22 N ATOM 0 H ARG A 23 1.279 -6.339 0.451 1.00 52.20 H new ATOM 0 HA ARG A 23 0.270 -5.472 2.911 1.00 3.31 H new ATOM 0 HB2 ARG A 23 0.534 -7.834 2.275 1.00 64.12 H new ATOM 0 HB3 ARG A 23 2.276 -7.655 2.191 1.00 64.12 H new ATOM 0 HG2 ARG A 23 2.382 -7.241 4.619 1.00 61.53 H new ATOM 0 HG3 ARG A 23 0.635 -7.314 4.731 1.00 61.53 H new ATOM 0 HD2 ARG A 23 0.639 -9.669 4.035 1.00 13.30 H new ATOM 0 HD3 ARG A 23 2.368 -9.618 3.750 1.00 13.30 H new ATOM 0 HE ARG A 23 2.756 -9.453 6.135 1.00 31.12 H new ATOM 0 HH11 ARG A 23 -0.572 -10.028 5.213 1.00 43.21 H new ATOM 0 HH12 ARG A 23 -1.016 -10.591 6.827 1.00 43.21 H new ATOM 0 HH21 ARG A 23 2.169 -10.141 8.140 1.00 4.22 H new ATOM 0 HH22 ARG A 23 0.508 -10.654 8.454 1.00 4.22 H new ATOM 381 N ASN A 24 3.493 -4.921 2.521 1.00 35.41 N ATOM 382 CA ASN A 24 4.655 -4.199 3.061 1.00 54.42 C ATOM 383 C ASN A 24 4.362 -2.689 3.221 1.00 2.22 C ATOM 384 O ASN A 24 5.143 -1.950 3.821 1.00 34.55 O ATOM 385 CB ASN A 24 5.867 -4.415 2.142 1.00 1.12 C ATOM 386 CG ASN A 24 7.157 -3.850 2.712 1.00 25.33 C ATOM 387 OD1 ASN A 24 7.369 -3.846 3.918 1.00 31.21 O ATOM 388 ND2 ASN A 24 8.022 -3.356 1.850 1.00 51.55 N ATOM 0 H ASN A 24 3.647 -5.323 1.596 1.00 35.41 H new ATOM 0 HA ASN A 24 4.874 -4.596 4.052 1.00 54.42 H new ATOM 0 HB2 ASN A 24 5.993 -5.483 1.963 1.00 1.12 H new ATOM 0 HB3 ASN A 24 5.670 -3.951 1.176 1.00 1.12 H new ATOM 0 HD21 ASN A 24 8.899 -2.955 2.181 1.00 51.55 H new ATOM 0 HD22 ASN A 24 7.814 -3.375 0.852 1.00 51.55 H new ATOM 395 N ALA A 25 3.241 -2.236 2.664 1.00 55.24 N ATOM 396 CA ALA A 25 2.790 -0.848 2.827 1.00 32.02 C ATOM 397 C ALA A 25 1.629 -0.760 3.835 1.00 43.41 C ATOM 398 O ALA A 25 1.551 0.175 4.638 1.00 64.30 O ATOM 399 CB ALA A 25 2.375 -0.266 1.478 1.00 52.24 C ATOM 0 H ALA A 25 2.622 -2.811 2.092 1.00 55.24 H new ATOM 0 HA ALA A 25 3.621 -0.262 3.220 1.00 32.02 H new ATOM 0 HB1 ALA A 25 2.043 0.763 1.613 1.00 52.24 H new ATOM 0 HB2 ALA A 25 3.225 -0.287 0.796 1.00 52.24 H new ATOM 0 HB3 ALA A 25 1.561 -0.859 1.061 1.00 52.24 H new ATOM 405 N LEU A 26 0.738 -1.753 3.798 1.00 54.32 N ATOM 406 CA LEU A 26 -0.421 -1.803 4.702 1.00 51.34 C ATOM 407 C LEU A 26 0.000 -1.792 6.181 1.00 74.13 C ATOM 408 O LEU A 26 -0.719 -1.270 7.034 1.00 23.04 O ATOM 409 CB LEU A 26 -1.270 -3.050 4.412 1.00 11.23 C ATOM 410 CG LEU A 26 -1.886 -3.113 3.002 1.00 32.55 C ATOM 411 CD1 LEU A 26 -2.690 -4.400 2.820 1.00 25.22 C ATOM 412 CD2 LEU A 26 -2.759 -1.885 2.737 1.00 72.12 C ATOM 0 H LEU A 26 0.795 -2.538 3.150 1.00 54.32 H new ATOM 0 HA LEU A 26 -1.013 -0.907 4.518 1.00 51.34 H new ATOM 0 HB2 LEU A 26 -0.650 -3.934 4.559 1.00 11.23 H new ATOM 0 HB3 LEU A 26 -2.075 -3.100 5.145 1.00 11.23 H new ATOM 0 HG LEU A 26 -1.074 -3.115 2.275 1.00 32.55 H new ATOM 0 HD11 LEU A 26 -3.116 -4.424 1.817 1.00 25.22 H new ATOM 0 HD12 LEU A 26 -2.035 -5.261 2.957 1.00 25.22 H new ATOM 0 HD13 LEU A 26 -3.493 -4.435 3.556 1.00 25.22 H new ATOM 0 HD21 LEU A 26 -3.184 -1.950 1.735 1.00 72.12 H new ATOM 0 HD22 LEU A 26 -3.564 -1.846 3.471 1.00 72.12 H new ATOM 0 HD23 LEU A 26 -2.152 -0.983 2.816 1.00 72.12 H new ATOM 424 N LYS A 27 1.177 -2.355 6.475 1.00 64.24 N ATOM 425 CA LYS A 27 1.700 -2.395 7.852 1.00 1.31 C ATOM 426 C LYS A 27 1.890 -0.986 8.454 1.00 62.43 C ATOM 427 O LYS A 27 2.097 -0.845 9.661 1.00 45.24 O ATOM 428 CB LYS A 27 3.008 -3.214 7.911 1.00 74.11 C ATOM 429 CG LYS A 27 3.998 -2.931 6.777 1.00 2.34 C ATOM 430 CD LYS A 27 4.783 -1.633 6.974 1.00 60.02 C ATOM 431 CE LYS A 27 5.724 -1.701 8.172 1.00 35.24 C ATOM 432 NZ LYS A 27 6.612 -0.509 8.244 1.00 62.34 N ATOM 0 H LYS A 27 1.787 -2.789 5.782 1.00 64.24 H new ATOM 0 HA LYS A 27 0.952 -2.893 8.468 1.00 1.31 H new ATOM 0 HB2 LYS A 27 3.501 -3.015 8.862 1.00 74.11 H new ATOM 0 HB3 LYS A 27 2.756 -4.274 7.898 1.00 74.11 H new ATOM 0 HG2 LYS A 27 4.698 -3.763 6.698 1.00 2.34 H new ATOM 0 HG3 LYS A 27 3.455 -2.880 5.833 1.00 2.34 H new ATOM 0 HD2 LYS A 27 5.359 -1.420 6.074 1.00 60.02 H new ATOM 0 HD3 LYS A 27 4.086 -0.806 7.109 1.00 60.02 H new ATOM 0 HE2 LYS A 27 5.140 -1.775 9.089 1.00 35.24 H new ATOM 0 HE3 LYS A 27 6.331 -2.604 8.107 1.00 35.24 H new ATOM 0 HZ1 LYS A 27 6.834 -0.301 9.239 1.00 62.34 H new ATOM 0 HZ2 LYS A 27 7.493 -0.700 7.725 1.00 62.34 H new ATOM 0 HZ3 LYS A 27 6.130 0.309 7.819 1.00 62.34 H new ATOM 446 N ASP A 28 1.842 0.048 7.612 1.00 12.41 N ATOM 447 CA ASP A 28 1.799 1.440 8.089 1.00 3.02 C ATOM 448 C ASP A 28 0.412 2.062 7.862 1.00 42.41 C ATOM 449 O ASP A 28 -0.174 2.639 8.778 1.00 13.55 O ATOM 450 CB ASP A 28 2.877 2.291 7.404 1.00 73.31 C ATOM 451 CG ASP A 28 4.237 2.122 8.054 1.00 21.33 C ATOM 452 OD1 ASP A 28 4.364 2.454 9.254 1.00 21.13 O ATOM 453 OD2 ASP A 28 5.178 1.654 7.385 1.00 33.52 O ATOM 0 H ASP A 28 1.832 -0.047 6.597 1.00 12.41 H new ATOM 0 HA ASP A 28 1.998 1.424 9.160 1.00 3.02 H new ATOM 0 HB2 ASP A 28 2.942 2.014 6.352 1.00 73.31 H new ATOM 0 HB3 ASP A 28 2.586 3.341 7.440 1.00 73.31 H new ATOM 458 N LEU A 29 -0.111 1.922 6.644 1.00 15.21 N ATOM 459 CA LEU A 29 -1.424 2.483 6.286 1.00 1.01 C ATOM 460 C LEU A 29 -2.522 2.078 7.290 1.00 20.15 C ATOM 461 O LEU A 29 -3.231 2.931 7.828 1.00 33.03 O ATOM 462 CB LEU A 29 -1.818 2.032 4.870 1.00 62.51 C ATOM 463 CG LEU A 29 -0.853 2.456 3.748 1.00 71.10 C ATOM 464 CD1 LEU A 29 -1.306 1.895 2.404 1.00 32.35 C ATOM 465 CD2 LEU A 29 -0.728 3.977 3.686 1.00 34.50 C ATOM 0 H LEU A 29 0.352 1.424 5.883 1.00 15.21 H new ATOM 0 HA LEU A 29 -1.335 3.569 6.317 1.00 1.01 H new ATOM 0 HB2 LEU A 29 -1.900 0.945 4.863 1.00 62.51 H new ATOM 0 HB3 LEU A 29 -2.808 2.428 4.643 1.00 62.51 H new ATOM 0 HG LEU A 29 0.131 2.044 3.973 1.00 71.10 H new ATOM 0 HD11 LEU A 29 -0.609 2.207 1.626 1.00 32.35 H new ATOM 0 HD12 LEU A 29 -1.330 0.806 2.454 1.00 32.35 H new ATOM 0 HD13 LEU A 29 -2.303 2.270 2.171 1.00 32.35 H new ATOM 0 HD21 LEU A 29 -0.041 4.253 2.886 1.00 34.50 H new ATOM 0 HD22 LEU A 29 -1.707 4.415 3.491 1.00 34.50 H new ATOM 0 HD23 LEU A 29 -0.347 4.350 4.637 1.00 34.50 H new ATOM 477 N LEU A 30 -2.646 0.777 7.544 1.00 44.14 N ATOM 478 CA LEU A 30 -3.666 0.257 8.466 1.00 21.45 C ATOM 479 C LEU A 30 -3.260 0.478 9.937 1.00 0.12 C ATOM 480 O LEU A 30 -4.100 0.473 10.840 1.00 2.54 O ATOM 481 CB LEU A 30 -3.901 -1.237 8.190 1.00 34.52 C ATOM 482 CG LEU A 30 -5.078 -1.873 8.952 1.00 2.41 C ATOM 483 CD1 LEU A 30 -6.393 -1.173 8.606 1.00 20.34 C ATOM 484 CD2 LEU A 30 -5.168 -3.370 8.659 1.00 1.41 C ATOM 0 H LEU A 30 -2.054 0.059 7.126 1.00 44.14 H new ATOM 0 HA LEU A 30 -4.593 0.804 8.296 1.00 21.45 H new ATOM 0 HB2 LEU A 30 -4.068 -1.370 7.121 1.00 34.52 H new ATOM 0 HB3 LEU A 30 -2.991 -1.783 8.440 1.00 34.52 H new ATOM 0 HG LEU A 30 -4.898 -1.746 10.019 1.00 2.41 H new ATOM 0 HD11 LEU A 30 -7.210 -1.640 9.157 1.00 20.34 H new ATOM 0 HD12 LEU A 30 -6.327 -0.120 8.879 1.00 20.34 H new ATOM 0 HD13 LEU A 30 -6.581 -1.260 7.536 1.00 20.34 H new ATOM 0 HD21 LEU A 30 -6.007 -3.798 9.208 1.00 1.41 H new ATOM 0 HD22 LEU A 30 -5.318 -3.523 7.590 1.00 1.41 H new ATOM 0 HD23 LEU A 30 -4.244 -3.858 8.970 1.00 1.41 H new ATOM 496 N LYS A 31 -1.963 0.678 10.171 1.00 42.40 N ATOM 497 CA LYS A 31 -1.447 0.936 11.520 1.00 12.11 C ATOM 498 C LYS A 31 -1.877 2.325 12.013 1.00 0.13 C ATOM 499 O LYS A 31 -2.256 2.495 13.173 1.00 52.12 O ATOM 500 CB LYS A 31 0.090 0.794 11.533 1.00 50.53 C ATOM 501 CG LYS A 31 0.752 1.025 12.898 1.00 71.53 C ATOM 502 CD LYS A 31 1.228 2.469 13.089 1.00 51.44 C ATOM 503 CE LYS A 31 2.346 2.833 12.114 1.00 14.42 C ATOM 504 NZ LYS A 31 2.770 4.251 12.261 1.00 23.44 N ATOM 0 H LYS A 31 -1.248 0.667 9.444 1.00 42.40 H new ATOM 0 HA LYS A 31 -1.868 0.199 12.203 1.00 12.11 H new ATOM 0 HB2 LYS A 31 0.350 -0.205 11.185 1.00 50.53 H new ATOM 0 HB3 LYS A 31 0.511 1.501 10.818 1.00 50.53 H new ATOM 0 HG2 LYS A 31 0.044 0.773 13.688 1.00 71.53 H new ATOM 0 HG3 LYS A 31 1.601 0.350 13.004 1.00 71.53 H new ATOM 0 HD2 LYS A 31 0.388 3.150 12.949 1.00 51.44 H new ATOM 0 HD3 LYS A 31 1.580 2.603 14.112 1.00 51.44 H new ATOM 0 HE2 LYS A 31 3.202 2.179 12.282 1.00 14.42 H new ATOM 0 HE3 LYS A 31 2.008 2.659 11.092 1.00 14.42 H new ATOM 0 HZ1 LYS A 31 2.482 4.788 11.418 1.00 23.44 H new ATOM 0 HZ2 LYS A 31 2.321 4.662 13.104 1.00 23.44 H new ATOM 0 HZ3 LYS A 31 3.804 4.295 12.363 1.00 23.44 H new ATOM 518 N ASP A 32 -1.831 3.313 11.126 1.00 71.13 N ATOM 519 CA ASP A 32 -2.225 4.679 11.478 1.00 32.14 C ATOM 520 C ASP A 32 -3.714 4.949 11.195 1.00 72.25 C ATOM 521 O ASP A 32 -4.381 5.640 11.968 1.00 31.35 O ATOM 522 CB ASP A 32 -1.350 5.692 10.733 1.00 44.01 C ATOM 523 CG ASP A 32 0.103 5.611 11.166 1.00 25.43 C ATOM 524 OD1 ASP A 32 0.414 6.029 12.306 1.00 71.21 O ATOM 525 OD2 ASP A 32 0.943 5.115 10.391 1.00 44.44 O ATOM 0 H ASP A 32 -1.526 3.198 10.159 1.00 71.13 H new ATOM 0 HA ASP A 32 -2.075 4.792 12.552 1.00 32.14 H new ATOM 0 HB2 ASP A 32 -1.420 5.512 9.660 1.00 44.01 H new ATOM 0 HB3 ASP A 32 -1.727 6.699 10.913 1.00 44.01 H new ATOM 530 N MET A 33 -4.236 4.409 10.095 1.00 41.53 N ATOM 531 CA MET A 33 -5.638 4.641 9.713 1.00 73.33 C ATOM 532 C MET A 33 -6.496 3.369 9.865 1.00 54.31 C ATOM 533 O MET A 33 -6.020 2.254 9.656 1.00 24.41 O ATOM 534 CB MET A 33 -5.711 5.164 8.270 1.00 41.31 C ATOM 535 CG MET A 33 -7.129 5.433 7.784 1.00 30.50 C ATOM 536 SD MET A 33 -8.065 6.478 8.920 1.00 62.42 S ATOM 537 CE MET A 33 -7.154 8.018 8.817 1.00 24.24 C ATOM 0 H MET A 33 -3.717 3.810 9.452 1.00 41.53 H new ATOM 0 HA MET A 33 -6.045 5.391 10.391 1.00 73.33 H new ATOM 0 HB2 MET A 33 -5.131 6.084 8.197 1.00 41.31 H new ATOM 0 HB3 MET A 33 -5.241 4.438 7.606 1.00 41.31 H new ATOM 0 HG2 MET A 33 -7.089 5.911 6.805 1.00 30.50 H new ATOM 0 HG3 MET A 33 -7.651 4.485 7.655 1.00 30.50 H new ATOM 0 HE1 MET A 33 -7.695 8.798 9.353 1.00 24.24 H new ATOM 0 HE2 MET A 33 -6.168 7.888 9.263 1.00 24.24 H new ATOM 0 HE3 MET A 33 -7.044 8.306 7.772 1.00 24.24 H new ATOM 547 N ASN A 34 -7.769 3.551 10.223 1.00 15.52 N ATOM 548 CA ASN A 34 -8.692 2.425 10.422 1.00 71.31 C ATOM 549 C ASN A 34 -9.220 1.879 9.082 1.00 23.13 C ATOM 550 O ASN A 34 -9.204 2.576 8.068 1.00 41.41 O ATOM 551 CB ASN A 34 -9.860 2.854 11.318 1.00 1.40 C ATOM 552 CG ASN A 34 -9.385 3.342 12.677 1.00 72.50 C ATOM 553 OD1 ASN A 34 -9.209 2.561 13.606 1.00 13.21 O ATOM 554 ND2 ASN A 34 -9.180 4.638 12.810 1.00 31.14 N ATOM 0 H ASN A 34 -8.187 4.468 10.382 1.00 15.52 H new ATOM 0 HA ASN A 34 -8.139 1.623 10.911 1.00 71.31 H new ATOM 0 HB2 ASN A 34 -10.423 3.646 10.825 1.00 1.40 H new ATOM 0 HB3 ASN A 34 -10.542 2.014 11.452 1.00 1.40 H new ATOM 0 HD21 ASN A 34 -8.866 5.016 13.704 1.00 31.14 H new ATOM 0 HD22 ASN A 34 -9.335 5.263 12.019 1.00 31.14 H new ATOM 561 N GLN A 35 -9.718 0.639 9.105 1.00 52.51 N ATOM 562 CA GLN A 35 -10.129 -0.080 7.885 1.00 42.34 C ATOM 563 C GLN A 35 -11.075 0.739 6.988 1.00 12.25 C ATOM 564 O GLN A 35 -10.717 1.101 5.866 1.00 24.04 O ATOM 565 CB GLN A 35 -10.812 -1.400 8.258 1.00 71.53 C ATOM 566 CG GLN A 35 -9.907 -2.395 8.979 1.00 45.23 C ATOM 567 CD GLN A 35 -10.637 -3.663 9.399 1.00 73.44 C ATOM 568 OE1 GLN A 35 -11.663 -4.040 8.666 1.00 53.02 O flip ATOM 569 NE2 GLN A 35 -10.278 -4.307 10.378 1.00 72.40 N flip ATOM 0 H GLN A 35 -9.849 0.103 9.963 1.00 52.51 H new ATOM 0 HA GLN A 35 -9.218 -0.264 7.316 1.00 42.34 H new ATOM 0 HB2 GLN A 35 -11.672 -1.184 8.892 1.00 71.53 H new ATOM 0 HB3 GLN A 35 -11.194 -1.867 7.350 1.00 71.53 H new ATOM 0 HG2 GLN A 35 -9.075 -2.660 8.327 1.00 45.23 H new ATOM 0 HG3 GLN A 35 -9.481 -1.918 9.862 1.00 45.23 H new ATOM 0 HE21 GLN A 35 -9.479 -3.994 10.930 1.00 72.40 H new ATOM 0 HE22 GLN A 35 -10.778 -5.156 10.641 1.00 72.40 H new ATOM 578 N SER A 36 -12.282 1.020 7.483 1.00 55.11 N ATOM 579 CA SER A 36 -13.306 1.720 6.685 1.00 55.23 C ATOM 580 C SER A 36 -12.824 3.093 6.189 1.00 25.32 C ATOM 581 O SER A 36 -13.141 3.502 5.073 1.00 13.35 O ATOM 582 CB SER A 36 -14.609 1.881 7.486 1.00 53.20 C ATOM 583 OG SER A 36 -15.198 0.618 7.775 1.00 12.31 O ATOM 0 H SER A 36 -12.579 0.777 8.428 1.00 55.11 H new ATOM 0 HA SER A 36 -13.496 1.100 5.809 1.00 55.23 H new ATOM 0 HB2 SER A 36 -14.403 2.410 8.416 1.00 53.20 H new ATOM 0 HB3 SER A 36 -15.313 2.492 6.921 1.00 53.20 H new ATOM 0 HG SER A 36 -16.023 0.751 8.286 1.00 12.31 H new ATOM 589 N SER A 37 -12.048 3.796 7.013 1.00 51.21 N ATOM 590 CA SER A 37 -11.534 5.125 6.640 1.00 0.01 C ATOM 591 C SER A 37 -10.421 5.031 5.585 1.00 24.24 C ATOM 592 O SER A 37 -10.244 5.938 4.770 1.00 24.31 O ATOM 593 CB SER A 37 -11.018 5.876 7.872 1.00 50.23 C ATOM 594 OG SER A 37 -10.547 7.171 7.527 1.00 34.03 O ATOM 0 H SER A 37 -11.760 3.476 7.938 1.00 51.21 H new ATOM 0 HA SER A 37 -12.367 5.679 6.207 1.00 0.01 H new ATOM 0 HB2 SER A 37 -11.816 5.961 8.609 1.00 50.23 H new ATOM 0 HB3 SER A 37 -10.214 5.306 8.338 1.00 50.23 H new ATOM 0 HG SER A 37 -9.591 7.237 7.734 1.00 34.03 H new ATOM 600 N LEU A 38 -9.667 3.934 5.604 1.00 53.30 N ATOM 601 CA LEU A 38 -8.639 3.687 4.586 1.00 10.34 C ATOM 602 C LEU A 38 -9.308 3.354 3.240 1.00 70.33 C ATOM 603 O LEU A 38 -8.974 3.932 2.203 1.00 3.10 O ATOM 604 CB LEU A 38 -7.704 2.544 5.045 1.00 51.11 C ATOM 605 CG LEU A 38 -6.353 2.409 4.303 1.00 23.21 C ATOM 606 CD1 LEU A 38 -6.532 1.876 2.882 1.00 35.33 C ATOM 607 CD2 LEU A 38 -5.611 3.744 4.287 1.00 62.15 C ATOM 0 H LEU A 38 -9.745 3.202 6.310 1.00 53.30 H new ATOM 0 HA LEU A 38 -8.034 4.584 4.454 1.00 10.34 H new ATOM 0 HB2 LEU A 38 -7.497 2.680 6.106 1.00 51.11 H new ATOM 0 HB3 LEU A 38 -8.243 1.602 4.943 1.00 51.11 H new ATOM 0 HG LEU A 38 -5.754 1.681 4.850 1.00 23.21 H new ATOM 0 HD11 LEU A 38 -5.559 1.797 2.398 1.00 35.33 H new ATOM 0 HD12 LEU A 38 -7.000 0.892 2.919 1.00 35.33 H new ATOM 0 HD13 LEU A 38 -7.165 2.558 2.315 1.00 35.33 H new ATOM 0 HD21 LEU A 38 -4.664 3.627 3.761 1.00 62.15 H new ATOM 0 HD22 LEU A 38 -6.219 4.492 3.778 1.00 62.15 H new ATOM 0 HD23 LEU A 38 -5.420 4.066 5.311 1.00 62.15 H new ATOM 619 N ALA A 39 -10.275 2.437 3.274 1.00 23.11 N ATOM 620 CA ALA A 39 -11.022 2.042 2.072 1.00 53.42 C ATOM 621 C ALA A 39 -11.979 3.154 1.595 1.00 33.25 C ATOM 622 O ALA A 39 -12.558 3.062 0.513 1.00 51.31 O ATOM 623 CB ALA A 39 -11.796 0.755 2.335 1.00 32.22 C ATOM 0 H ALA A 39 -10.563 1.950 4.123 1.00 23.11 H new ATOM 0 HA ALA A 39 -10.298 1.872 1.275 1.00 53.42 H new ATOM 0 HB1 ALA A 39 -12.346 0.471 1.438 1.00 32.22 H new ATOM 0 HB2 ALA A 39 -11.100 -0.041 2.600 1.00 32.22 H new ATOM 0 HB3 ALA A 39 -12.496 0.913 3.155 1.00 32.22 H new ATOM 629 N LYS A 40 -12.142 4.192 2.412 1.00 14.32 N ATOM 630 CA LYS A 40 -12.999 5.341 2.077 1.00 5.15 C ATOM 631 C LYS A 40 -12.608 5.976 0.729 1.00 41.43 C ATOM 632 O LYS A 40 -13.425 6.060 -0.190 1.00 53.43 O ATOM 633 CB LYS A 40 -12.914 6.387 3.198 1.00 13.03 C ATOM 634 CG LYS A 40 -13.667 7.684 2.914 1.00 1.34 C ATOM 635 CD LYS A 40 -13.536 8.674 4.068 1.00 2.33 C ATOM 636 CE LYS A 40 -14.205 10.009 3.755 1.00 74.32 C ATOM 637 NZ LYS A 40 -15.646 9.850 3.427 1.00 31.01 N ATOM 0 H LYS A 40 -11.689 4.266 3.323 1.00 14.32 H new ATOM 0 HA LYS A 40 -14.024 4.981 1.982 1.00 5.15 H new ATOM 0 HB2 LYS A 40 -13.305 5.949 4.116 1.00 13.03 H new ATOM 0 HB3 LYS A 40 -11.865 6.623 3.378 1.00 13.03 H new ATOM 0 HG2 LYS A 40 -13.282 8.136 2.000 1.00 1.34 H new ATOM 0 HG3 LYS A 40 -14.720 7.463 2.741 1.00 1.34 H new ATOM 0 HD2 LYS A 40 -13.983 8.246 4.965 1.00 2.33 H new ATOM 0 HD3 LYS A 40 -12.481 8.840 4.286 1.00 2.33 H new ATOM 0 HE2 LYS A 40 -14.100 10.676 4.611 1.00 74.32 H new ATOM 0 HE3 LYS A 40 -13.693 10.483 2.917 1.00 74.32 H new ATOM 0 HZ1 LYS A 40 -16.091 10.787 3.354 1.00 31.01 H new ATOM 0 HZ2 LYS A 40 -15.743 9.350 2.520 1.00 31.01 H new ATOM 0 HZ3 LYS A 40 -16.114 9.302 4.176 1.00 31.01 H new ATOM 651 N GLU A 41 -11.360 6.423 0.619 1.00 43.15 N ATOM 652 CA GLU A 41 -10.867 7.042 -0.620 1.00 63.21 C ATOM 653 C GLU A 41 -9.949 6.093 -1.405 1.00 0.43 C ATOM 654 O GLU A 41 -9.367 6.475 -2.423 1.00 24.34 O ATOM 655 CB GLU A 41 -10.151 8.368 -0.312 1.00 73.00 C ATOM 656 CG GLU A 41 -9.036 8.258 0.728 1.00 1.12 C ATOM 657 CD GLU A 41 -8.464 9.617 1.115 1.00 32.22 C ATOM 658 OE1 GLU A 41 -9.180 10.396 1.782 1.00 55.33 O ATOM 659 OE2 GLU A 41 -7.304 9.914 0.750 1.00 65.34 O ATOM 0 H GLU A 41 -10.669 6.371 1.367 1.00 43.15 H new ATOM 0 HA GLU A 41 -11.731 7.252 -1.251 1.00 63.21 H new ATOM 0 HB2 GLU A 41 -9.731 8.763 -1.237 1.00 73.00 H new ATOM 0 HB3 GLU A 41 -10.887 9.091 0.038 1.00 73.00 H new ATOM 0 HG2 GLU A 41 -9.422 7.763 1.619 1.00 1.12 H new ATOM 0 HG3 GLU A 41 -8.237 7.630 0.335 1.00 1.12 H new ATOM 666 N CYS A 42 -9.835 4.850 -0.940 1.00 4.50 N ATOM 667 CA CYS A 42 -9.054 3.825 -1.642 1.00 63.21 C ATOM 668 C CYS A 42 -9.968 2.923 -2.494 1.00 0.02 C ATOM 669 O CYS A 42 -11.008 2.464 -2.020 1.00 70.41 O ATOM 670 CB CYS A 42 -8.266 2.967 -0.646 1.00 50.21 C ATOM 671 SG CYS A 42 -7.283 1.657 -1.414 1.00 31.50 S ATOM 0 H CYS A 42 -10.274 4.525 -0.078 1.00 4.50 H new ATOM 0 HA CYS A 42 -8.353 4.337 -2.302 1.00 63.21 H new ATOM 0 HB2 CYS A 42 -7.603 3.614 -0.071 1.00 50.21 H new ATOM 0 HB3 CYS A 42 -8.964 2.516 0.060 1.00 50.21 H new ATOM 0 HG CYS A 42 -6.653 0.990 -0.493 1.00 31.50 H new ATOM 677 N PRO A 43 -9.596 2.660 -3.765 1.00 74.14 N ATOM 678 CA PRO A 43 -10.400 1.813 -4.676 1.00 14.14 C ATOM 679 C PRO A 43 -10.506 0.343 -4.223 1.00 3.31 C ATOM 680 O PRO A 43 -11.378 -0.393 -4.686 1.00 21.25 O ATOM 681 CB PRO A 43 -9.648 1.908 -6.020 1.00 25.14 C ATOM 682 CG PRO A 43 -8.756 3.100 -5.885 1.00 64.43 C ATOM 683 CD PRO A 43 -8.390 3.177 -4.428 1.00 74.55 C ATOM 0 HA PRO A 43 -11.434 2.157 -4.717 1.00 14.14 H new ATOM 0 HB2 PRO A 43 -9.071 1.004 -6.213 1.00 25.14 H new ATOM 0 HB3 PRO A 43 -10.342 2.027 -6.852 1.00 25.14 H new ATOM 0 HG2 PRO A 43 -7.867 2.995 -6.506 1.00 64.43 H new ATOM 0 HG3 PRO A 43 -9.265 4.008 -6.208 1.00 64.43 H new ATOM 0 HD2 PRO A 43 -7.512 2.574 -4.199 1.00 74.55 H new ATOM 0 HD3 PRO A 43 -8.165 4.198 -4.120 1.00 74.55 H new ATOM 691 N LEU A 44 -9.623 -0.082 -3.320 1.00 44.44 N ATOM 692 CA LEU A 44 -9.610 -1.473 -2.844 1.00 2.41 C ATOM 693 C LEU A 44 -10.735 -1.737 -1.827 1.00 40.14 C ATOM 694 O LEU A 44 -11.014 -0.905 -0.960 1.00 31.21 O ATOM 695 CB LEU A 44 -8.250 -1.807 -2.211 1.00 2.22 C ATOM 696 CG LEU A 44 -7.034 -1.668 -3.141 1.00 73.13 C ATOM 697 CD1 LEU A 44 -5.746 -1.999 -2.392 1.00 75.31 C ATOM 698 CD2 LEU A 44 -7.184 -2.558 -4.374 1.00 33.14 C ATOM 0 H LEU A 44 -8.907 0.512 -2.902 1.00 44.44 H new ATOM 0 HA LEU A 44 -9.778 -2.116 -3.708 1.00 2.41 H new ATOM 0 HB2 LEU A 44 -8.101 -1.158 -1.348 1.00 2.22 H new ATOM 0 HB3 LEU A 44 -8.284 -2.830 -1.838 1.00 2.22 H new ATOM 0 HG LEU A 44 -6.981 -0.632 -3.477 1.00 73.13 H new ATOM 0 HD11 LEU A 44 -4.896 -1.895 -3.066 1.00 75.31 H new ATOM 0 HD12 LEU A 44 -5.628 -1.315 -1.551 1.00 75.31 H new ATOM 0 HD13 LEU A 44 -5.793 -3.023 -2.023 1.00 75.31 H new ATOM 0 HD21 LEU A 44 -6.311 -2.441 -5.016 1.00 33.14 H new ATOM 0 HD22 LEU A 44 -7.269 -3.599 -4.063 1.00 33.14 H new ATOM 0 HD23 LEU A 44 -8.080 -2.269 -4.924 1.00 33.14 H new ATOM 710 N SER A 45 -11.382 -2.899 -1.941 1.00 34.41 N ATOM 711 CA SER A 45 -12.457 -3.290 -1.014 1.00 54.32 C ATOM 712 C SER A 45 -11.914 -3.545 0.404 1.00 24.42 C ATOM 713 O SER A 45 -10.829 -4.108 0.577 1.00 63.33 O ATOM 714 CB SER A 45 -13.185 -4.544 -1.524 1.00 2.13 C ATOM 715 OG SER A 45 -13.757 -4.335 -2.809 1.00 52.35 O ATOM 0 H SER A 45 -11.183 -3.589 -2.665 1.00 34.41 H new ATOM 0 HA SER A 45 -13.163 -2.461 -0.967 1.00 54.32 H new ATOM 0 HB2 SER A 45 -12.485 -5.378 -1.569 1.00 2.13 H new ATOM 0 HB3 SER A 45 -13.968 -4.822 -0.818 1.00 2.13 H new ATOM 0 HG SER A 45 -14.210 -5.153 -3.102 1.00 52.35 H new ATOM 721 N GLN A 46 -12.695 -3.158 1.409 1.00 62.13 N ATOM 722 CA GLN A 46 -12.266 -3.201 2.812 1.00 55.22 C ATOM 723 C GLN A 46 -11.838 -4.613 3.256 1.00 3.11 C ATOM 724 O GLN A 46 -10.798 -4.780 3.901 1.00 61.31 O ATOM 725 CB GLN A 46 -13.399 -2.662 3.706 1.00 24.33 C ATOM 726 CG GLN A 46 -13.060 -2.553 5.194 1.00 71.33 C ATOM 727 CD GLN A 46 -13.459 -3.783 5.998 1.00 60.31 C ATOM 728 OE1 GLN A 46 -12.554 -4.730 6.140 1.00 70.44 O flip ATOM 729 NE2 GLN A 46 -14.574 -3.876 6.502 1.00 61.25 N flip ATOM 0 H GLN A 46 -13.643 -2.805 1.278 1.00 62.13 H new ATOM 0 HA GLN A 46 -11.384 -2.569 2.915 1.00 55.22 H new ATOM 0 HB2 GLN A 46 -13.689 -1.676 3.343 1.00 24.33 H new ATOM 0 HB3 GLN A 46 -14.268 -3.311 3.594 1.00 24.33 H new ATOM 0 HG2 GLN A 46 -11.988 -2.389 5.304 1.00 71.33 H new ATOM 0 HG3 GLN A 46 -13.561 -1.679 5.610 1.00 71.33 H new ATOM 0 HE21 GLN A 46 -15.255 -3.127 6.376 1.00 61.25 H new ATOM 0 HE22 GLN A 46 -14.820 -4.702 7.047 1.00 61.25 H new ATOM 738 N SER A 47 -12.630 -5.627 2.920 1.00 51.02 N ATOM 739 CA SER A 47 -12.304 -7.008 3.309 1.00 53.44 C ATOM 740 C SER A 47 -11.124 -7.567 2.501 1.00 35.44 C ATOM 741 O SER A 47 -10.370 -8.404 2.998 1.00 54.41 O ATOM 742 CB SER A 47 -13.520 -7.930 3.170 1.00 2.21 C ATOM 743 OG SER A 47 -14.523 -7.612 4.123 1.00 40.30 O ATOM 0 H SER A 47 -13.493 -5.528 2.386 1.00 51.02 H new ATOM 0 HA SER A 47 -12.010 -6.976 4.358 1.00 53.44 H new ATOM 0 HB2 SER A 47 -13.931 -7.843 2.164 1.00 2.21 H new ATOM 0 HB3 SER A 47 -13.209 -8.967 3.299 1.00 2.21 H new ATOM 0 HG SER A 47 -15.286 -8.216 4.008 1.00 40.30 H new ATOM 749 N MET A 48 -10.962 -7.112 1.255 1.00 64.54 N ATOM 750 CA MET A 48 -9.789 -7.487 0.452 1.00 45.11 C ATOM 751 C MET A 48 -8.496 -6.983 1.114 1.00 60.41 C ATOM 752 O MET A 48 -7.507 -7.713 1.207 1.00 65.12 O ATOM 753 CB MET A 48 -9.897 -6.940 -0.979 1.00 12.44 C ATOM 754 CG MET A 48 -11.048 -7.534 -1.784 1.00 24.51 C ATOM 755 SD MET A 48 -11.045 -6.985 -3.504 1.00 40.43 S ATOM 756 CE MET A 48 -9.531 -7.738 -4.103 1.00 21.34 C ATOM 0 H MET A 48 -11.619 -6.491 0.783 1.00 64.54 H new ATOM 0 HA MET A 48 -9.757 -8.575 0.400 1.00 45.11 H new ATOM 0 HB2 MET A 48 -10.018 -5.858 -0.935 1.00 12.44 H new ATOM 0 HB3 MET A 48 -8.962 -7.135 -1.503 1.00 12.44 H new ATOM 0 HG2 MET A 48 -10.985 -8.622 -1.753 1.00 24.51 H new ATOM 0 HG3 MET A 48 -11.994 -7.256 -1.319 1.00 24.51 H new ATOM 0 HE1 MET A 48 -9.569 -7.816 -5.190 1.00 21.34 H new ATOM 0 HE2 MET A 48 -8.679 -7.123 -3.813 1.00 21.34 H new ATOM 0 HE3 MET A 48 -9.424 -8.733 -3.671 1.00 21.34 H new ATOM 766 N ILE A 49 -8.519 -5.732 1.581 1.00 32.13 N ATOM 767 CA ILE A 49 -7.396 -5.164 2.339 1.00 32.14 C ATOM 768 C ILE A 49 -7.120 -5.995 3.606 1.00 40.33 C ATOM 769 O ILE A 49 -5.976 -6.347 3.903 1.00 40.44 O ATOM 770 CB ILE A 49 -7.681 -3.692 2.741 1.00 54.43 C ATOM 771 CG1 ILE A 49 -7.942 -2.836 1.490 1.00 23.14 C ATOM 772 CG2 ILE A 49 -6.516 -3.118 3.551 1.00 65.30 C ATOM 773 CD1 ILE A 49 -8.323 -1.398 1.790 1.00 72.21 C ATOM 0 H ILE A 49 -9.302 -5.092 1.449 1.00 32.13 H new ATOM 0 HA ILE A 49 -6.518 -5.189 1.693 1.00 32.14 H new ATOM 0 HB ILE A 49 -8.574 -3.673 3.366 1.00 54.43 H new ATOM 0 HG12 ILE A 49 -7.048 -2.841 0.867 1.00 23.14 H new ATOM 0 HG13 ILE A 49 -8.739 -3.298 0.907 1.00 23.14 H new ATOM 0 HG21 ILE A 49 -6.736 -2.086 3.823 1.00 65.30 H new ATOM 0 HG22 ILE A 49 -6.376 -3.709 4.456 1.00 65.30 H new ATOM 0 HG23 ILE A 49 -5.606 -3.150 2.952 1.00 65.30 H new ATOM 0 HD11 ILE A 49 -8.490 -0.863 0.855 1.00 72.21 H new ATOM 0 HD12 ILE A 49 -9.235 -1.380 2.386 1.00 72.21 H new ATOM 0 HD13 ILE A 49 -7.518 -0.916 2.345 1.00 72.21 H new ATOM 785 N SER A 50 -8.189 -6.316 4.339 1.00 33.51 N ATOM 786 CA SER A 50 -8.089 -7.161 5.542 1.00 70.24 C ATOM 787 C SER A 50 -7.514 -8.546 5.215 1.00 11.00 C ATOM 788 O SER A 50 -6.765 -9.119 6.005 1.00 44.24 O ATOM 789 CB SER A 50 -9.464 -7.328 6.209 1.00 3.34 C ATOM 790 OG SER A 50 -9.398 -8.224 7.312 1.00 64.00 O ATOM 0 H SER A 50 -9.137 -6.006 4.124 1.00 33.51 H new ATOM 0 HA SER A 50 -7.411 -6.656 6.230 1.00 70.24 H new ATOM 0 HB2 SER A 50 -9.827 -6.357 6.547 1.00 3.34 H new ATOM 0 HB3 SER A 50 -10.182 -7.700 5.478 1.00 3.34 H new ATOM 0 HG SER A 50 -10.286 -8.310 7.717 1.00 64.00 H new ATOM 796 N SER A 51 -7.870 -9.078 4.048 1.00 62.34 N ATOM 797 CA SER A 51 -7.383 -10.397 3.615 1.00 54.20 C ATOM 798 C SER A 51 -5.859 -10.410 3.449 1.00 34.14 C ATOM 799 O SER A 51 -5.185 -11.305 3.945 1.00 31.12 O ATOM 800 CB SER A 51 -8.058 -10.834 2.305 1.00 3.31 C ATOM 801 OG SER A 51 -9.444 -11.094 2.500 1.00 13.52 O ATOM 0 H SER A 51 -8.493 -8.621 3.382 1.00 62.34 H new ATOM 0 HA SER A 51 -7.646 -11.107 4.399 1.00 54.20 H new ATOM 0 HB2 SER A 51 -7.934 -10.056 1.552 1.00 3.31 H new ATOM 0 HB3 SER A 51 -7.568 -11.729 1.922 1.00 3.31 H new ATOM 0 HG SER A 51 -9.914 -10.251 2.671 1.00 13.52 H new ATOM 807 N ILE A 52 -5.313 -9.396 2.783 1.00 64.24 N ATOM 808 CA ILE A 52 -3.857 -9.292 2.599 1.00 24.32 C ATOM 809 C ILE A 52 -3.119 -9.247 3.959 1.00 5.45 C ATOM 810 O ILE A 52 -1.932 -9.571 4.054 1.00 23.22 O ATOM 811 CB ILE A 52 -3.493 -8.032 1.766 1.00 70.52 C ATOM 812 CG1 ILE A 52 -4.276 -8.024 0.438 1.00 14.52 C ATOM 813 CG2 ILE A 52 -1.987 -7.968 1.501 1.00 44.42 C ATOM 814 CD1 ILE A 52 -4.036 -6.790 -0.411 1.00 20.54 C ATOM 0 H ILE A 52 -5.847 -8.636 2.362 1.00 64.24 H new ATOM 0 HA ILE A 52 -3.535 -10.182 2.058 1.00 24.32 H new ATOM 0 HB ILE A 52 -3.772 -7.150 2.342 1.00 70.52 H new ATOM 0 HG12 ILE A 52 -4.003 -8.908 -0.138 1.00 14.52 H new ATOM 0 HG13 ILE A 52 -5.341 -8.102 0.655 1.00 14.52 H new ATOM 0 HG21 ILE A 52 -1.758 -7.077 0.916 1.00 44.42 H new ATOM 0 HG22 ILE A 52 -1.452 -7.927 2.450 1.00 44.42 H new ATOM 0 HG23 ILE A 52 -1.677 -8.855 0.948 1.00 44.42 H new ATOM 0 HD11 ILE A 52 -4.622 -6.859 -1.328 1.00 20.54 H new ATOM 0 HD12 ILE A 52 -4.336 -5.902 0.145 1.00 20.54 H new ATOM 0 HD13 ILE A 52 -2.977 -6.721 -0.661 1.00 20.54 H new ATOM 826 N VAL A 53 -3.839 -8.850 5.007 1.00 3.02 N ATOM 827 CA VAL A 53 -3.281 -8.789 6.363 1.00 13.21 C ATOM 828 C VAL A 53 -3.480 -10.111 7.134 1.00 72.11 C ATOM 829 O VAL A 53 -2.531 -10.657 7.699 1.00 43.12 O ATOM 830 CB VAL A 53 -3.912 -7.623 7.175 1.00 15.15 C ATOM 831 CG1 VAL A 53 -3.313 -7.539 8.579 1.00 20.21 C ATOM 832 CG2 VAL A 53 -3.742 -6.299 6.431 1.00 63.42 C ATOM 0 H VAL A 53 -4.816 -8.564 4.945 1.00 3.02 H new ATOM 0 HA VAL A 53 -2.211 -8.616 6.249 1.00 13.21 H new ATOM 0 HB VAL A 53 -4.978 -7.824 7.281 1.00 15.15 H new ATOM 0 HG11 VAL A 53 -3.774 -6.714 9.123 1.00 20.21 H new ATOM 0 HG12 VAL A 53 -3.499 -8.473 9.110 1.00 20.21 H new ATOM 0 HG13 VAL A 53 -2.239 -7.370 8.507 1.00 20.21 H new ATOM 0 HG21 VAL A 53 -4.190 -5.494 7.014 1.00 63.42 H new ATOM 0 HG22 VAL A 53 -2.681 -6.096 6.287 1.00 63.42 H new ATOM 0 HG23 VAL A 53 -4.234 -6.361 5.461 1.00 63.42 H new ATOM 842 N ASN A 54 -4.709 -10.631 7.141 1.00 63.42 N ATOM 843 CA ASN A 54 -5.056 -11.801 7.970 1.00 44.43 C ATOM 844 C ASN A 54 -4.794 -13.148 7.269 1.00 71.30 C ATOM 845 O ASN A 54 -4.492 -14.144 7.928 1.00 62.13 O ATOM 846 CB ASN A 54 -6.527 -11.729 8.399 1.00 70.14 C ATOM 847 CG ASN A 54 -6.809 -10.563 9.328 1.00 31.31 C ATOM 848 OD1 ASN A 54 -6.648 -10.669 10.539 1.00 62.15 O ATOM 849 ND2 ASN A 54 -7.247 -9.447 8.781 1.00 11.13 N ATOM 0 H ASN A 54 -5.483 -10.266 6.586 1.00 63.42 H new ATOM 0 HA ASN A 54 -4.402 -11.761 8.841 1.00 44.43 H new ATOM 0 HB2 ASN A 54 -7.156 -11.643 7.513 1.00 70.14 H new ATOM 0 HB3 ASN A 54 -6.802 -12.659 8.896 1.00 70.14 H new ATOM 0 HD21 ASN A 54 -7.462 -8.641 9.368 1.00 11.13 H new ATOM 0 HD22 ASN A 54 -7.371 -9.389 7.770 1.00 11.13 H new ATOM 856 N SER A 55 -4.923 -13.188 5.946 1.00 1.25 N ATOM 857 CA SER A 55 -4.759 -14.445 5.196 1.00 64.20 C ATOM 858 C SER A 55 -3.311 -14.949 5.248 1.00 62.13 C ATOM 859 O SER A 55 -2.374 -14.229 4.897 1.00 53.42 O ATOM 860 CB SER A 55 -5.207 -14.282 3.734 1.00 31.32 C ATOM 861 OG SER A 55 -6.587 -13.947 3.654 1.00 72.53 O ATOM 0 H SER A 55 -5.139 -12.376 5.368 1.00 1.25 H new ATOM 0 HA SER A 55 -5.396 -15.188 5.676 1.00 64.20 H new ATOM 0 HB2 SER A 55 -4.613 -13.505 3.253 1.00 31.32 H new ATOM 0 HB3 SER A 55 -5.022 -15.208 3.189 1.00 31.32 H new ATOM 0 HG SER A 55 -6.699 -12.984 3.796 1.00 72.53 H new ATOM 867 N THR A 56 -3.139 -16.191 5.692 1.00 20.25 N ATOM 868 CA THR A 56 -1.809 -16.809 5.810 1.00 13.14 C ATOM 869 C THR A 56 -1.245 -17.230 4.446 1.00 2.30 C ATOM 870 O THR A 56 -0.054 -17.512 4.316 1.00 12.23 O ATOM 871 CB THR A 56 -1.852 -18.051 6.729 1.00 4.51 C ATOM 872 OG1 THR A 56 -2.796 -19.007 6.217 1.00 64.21 O ATOM 873 CG2 THR A 56 -2.237 -17.665 8.153 1.00 54.03 C ATOM 0 H THR A 56 -3.906 -16.798 5.980 1.00 20.25 H new ATOM 0 HA THR A 56 -1.157 -16.050 6.242 1.00 13.14 H new ATOM 0 HB THR A 56 -0.856 -18.494 6.748 1.00 4.51 H new ATOM 0 HG1 THR A 56 -2.817 -19.792 6.803 1.00 64.21 H new ATOM 0 HG21 THR A 56 -2.260 -18.557 8.778 1.00 54.03 H new ATOM 0 HG22 THR A 56 -1.505 -16.962 8.550 1.00 54.03 H new ATOM 0 HG23 THR A 56 -3.222 -17.199 8.150 1.00 54.03 H new ATOM 881 N TYR A 57 -2.107 -17.277 3.434 1.00 34.55 N ATOM 882 CA TYR A 57 -1.698 -17.657 2.077 1.00 12.35 C ATOM 883 C TYR A 57 -2.148 -16.602 1.058 1.00 21.14 C ATOM 884 O TYR A 57 -3.241 -16.044 1.169 1.00 71.33 O ATOM 885 CB TYR A 57 -2.278 -19.034 1.706 1.00 71.40 C ATOM 886 CG TYR A 57 -3.798 -19.069 1.629 1.00 32.44 C ATOM 887 CD1 TYR A 57 -4.573 -19.140 2.783 1.00 50.23 C ATOM 888 CD2 TYR A 57 -4.455 -19.030 0.402 1.00 11.11 C ATOM 889 CE1 TYR A 57 -5.955 -19.170 2.715 1.00 25.32 C ATOM 890 CE2 TYR A 57 -5.836 -19.060 0.328 1.00 60.50 C ATOM 891 CZ TYR A 57 -6.581 -19.129 1.486 1.00 44.04 C ATOM 892 OH TYR A 57 -7.957 -19.160 1.411 1.00 32.14 O ATOM 0 H TYR A 57 -3.099 -17.056 3.525 1.00 34.55 H new ATOM 0 HA TYR A 57 -0.610 -17.717 2.054 1.00 12.35 H new ATOM 0 HB2 TYR A 57 -1.869 -19.341 0.743 1.00 71.40 H new ATOM 0 HB3 TYR A 57 -1.945 -19.766 2.442 1.00 71.40 H new ATOM 0 HD1 TYR A 57 -4.088 -19.172 3.747 1.00 50.23 H new ATOM 0 HD2 TYR A 57 -3.876 -18.975 -0.508 1.00 11.11 H new ATOM 0 HE1 TYR A 57 -6.541 -19.225 3.620 1.00 25.32 H new ATOM 0 HE2 TYR A 57 -6.328 -19.030 -0.633 1.00 60.50 H new ATOM 0 HH TYR A 57 -8.234 -19.123 0.472 1.00 32.14 H new ATOM 902 N TYR A 58 -1.300 -16.327 0.067 1.00 62.32 N ATOM 903 CA TYR A 58 -1.618 -15.334 -0.967 1.00 50.23 C ATOM 904 C TYR A 58 -1.566 -15.958 -2.372 1.00 23.30 C ATOM 905 O TYR A 58 -2.547 -16.549 -2.815 1.00 10.44 O ATOM 906 CB TYR A 58 -0.665 -14.133 -0.871 1.00 20.24 C ATOM 907 CG TYR A 58 -0.462 -13.645 0.547 1.00 33.01 C ATOM 908 CD1 TYR A 58 -1.398 -12.824 1.169 1.00 22.23 C ATOM 909 CD2 TYR A 58 0.660 -14.027 1.275 1.00 12.24 C ATOM 910 CE1 TYR A 58 -1.219 -12.401 2.472 1.00 50.40 C ATOM 911 CE2 TYR A 58 0.847 -13.602 2.572 1.00 15.43 C ATOM 912 CZ TYR A 58 -0.096 -12.794 3.167 1.00 20.32 C ATOM 913 OH TYR A 58 0.081 -12.384 4.467 1.00 72.34 O ATOM 0 H TYR A 58 -0.390 -16.774 -0.044 1.00 62.32 H new ATOM 0 HA TYR A 58 -2.636 -14.983 -0.795 1.00 50.23 H new ATOM 0 HB2 TYR A 58 0.300 -14.409 -1.295 1.00 20.24 H new ATOM 0 HB3 TYR A 58 -1.058 -13.316 -1.477 1.00 20.24 H new ATOM 0 HD1 TYR A 58 -2.278 -12.513 0.625 1.00 22.23 H new ATOM 0 HD2 TYR A 58 1.398 -14.668 0.815 1.00 12.24 H new ATOM 0 HE1 TYR A 58 -1.955 -11.766 2.943 1.00 50.40 H new ATOM 0 HE2 TYR A 58 1.729 -13.901 3.119 1.00 15.43 H new ATOM 0 HH TYR A 58 -0.589 -12.812 5.039 1.00 72.34 H new ATOM 923 N ALA A 59 -0.415 -15.839 -3.053 1.00 32.31 N ATOM 924 CA ALA A 59 -0.212 -16.418 -4.396 1.00 52.42 C ATOM 925 C ALA A 59 -1.264 -15.949 -5.424 1.00 53.23 C ATOM 926 O ALA A 59 -0.968 -15.144 -6.306 1.00 64.35 O ATOM 927 CB ALA A 59 -0.181 -17.943 -4.316 1.00 52.12 C ATOM 0 H ALA A 59 0.399 -15.342 -2.692 1.00 32.31 H new ATOM 0 HA ALA A 59 0.751 -16.053 -4.753 1.00 52.42 H new ATOM 0 HB1 ALA A 59 -0.031 -18.357 -5.313 1.00 52.12 H new ATOM 0 HB2 ALA A 59 0.636 -18.257 -3.666 1.00 52.12 H new ATOM 0 HB3 ALA A 59 -1.126 -18.305 -3.911 1.00 52.12 H new ATOM 933 N ASN A 60 -2.487 -16.464 -5.299 1.00 4.41 N ATOM 934 CA ASN A 60 -3.589 -16.140 -6.218 1.00 11.42 C ATOM 935 C ASN A 60 -3.914 -14.629 -6.219 1.00 24.42 C ATOM 936 O ASN A 60 -4.515 -14.118 -7.168 1.00 53.22 O ATOM 937 CB ASN A 60 -4.833 -16.958 -5.820 1.00 71.23 C ATOM 938 CG ASN A 60 -5.897 -17.028 -6.908 1.00 3.21 C ATOM 939 OD1 ASN A 60 -6.045 -16.124 -7.721 1.00 11.31 O ATOM 940 ND2 ASN A 60 -6.647 -18.110 -6.931 1.00 22.30 N ATOM 0 H ASN A 60 -2.746 -17.117 -4.560 1.00 4.41 H new ATOM 0 HA ASN A 60 -3.281 -16.400 -7.231 1.00 11.42 H new ATOM 0 HB2 ASN A 60 -4.523 -17.971 -5.562 1.00 71.23 H new ATOM 0 HB3 ASN A 60 -5.272 -16.521 -4.923 1.00 71.23 H new ATOM 0 HD21 ASN A 60 -7.374 -18.211 -7.639 1.00 22.30 H new ATOM 0 HD22 ASN A 60 -6.501 -18.847 -6.241 1.00 22.30 H new ATOM 947 N VAL A 61 -3.509 -13.919 -5.161 1.00 70.44 N ATOM 948 CA VAL A 61 -3.748 -12.470 -5.051 1.00 32.41 C ATOM 949 C VAL A 61 -3.326 -11.729 -6.333 1.00 64.44 C ATOM 950 O VAL A 61 -2.144 -11.675 -6.677 1.00 13.01 O ATOM 951 CB VAL A 61 -3.003 -11.861 -3.832 1.00 24.14 C ATOM 952 CG1 VAL A 61 -3.201 -10.345 -3.766 1.00 45.14 C ATOM 953 CG2 VAL A 61 -3.472 -12.519 -2.535 1.00 72.54 C ATOM 0 H VAL A 61 -3.013 -14.322 -4.366 1.00 70.44 H new ATOM 0 HA VAL A 61 -4.821 -12.341 -4.908 1.00 32.41 H new ATOM 0 HB VAL A 61 -1.938 -12.056 -3.956 1.00 24.14 H new ATOM 0 HG11 VAL A 61 -2.668 -9.946 -2.903 1.00 45.14 H new ATOM 0 HG12 VAL A 61 -2.812 -9.887 -4.676 1.00 45.14 H new ATOM 0 HG13 VAL A 61 -4.264 -10.121 -3.672 1.00 45.14 H new ATOM 0 HG21 VAL A 61 -2.940 -12.080 -1.691 1.00 72.54 H new ATOM 0 HG22 VAL A 61 -4.543 -12.358 -2.412 1.00 72.54 H new ATOM 0 HG23 VAL A 61 -3.268 -13.589 -2.576 1.00 72.54 H new ATOM 963 N SER A 62 -4.314 -11.151 -7.017 1.00 64.23 N ATOM 964 CA SER A 62 -4.124 -10.527 -8.337 1.00 15.52 C ATOM 965 C SER A 62 -2.870 -9.643 -8.438 1.00 42.23 C ATOM 966 O SER A 62 -2.625 -8.771 -7.593 1.00 1.11 O ATOM 967 CB SER A 62 -5.352 -9.686 -8.705 1.00 54.30 C ATOM 968 OG SER A 62 -5.118 -8.921 -9.877 1.00 25.25 O ATOM 0 H SER A 62 -5.273 -11.100 -6.674 1.00 64.23 H new ATOM 0 HA SER A 62 -3.989 -11.353 -9.035 1.00 15.52 H new ATOM 0 HB2 SER A 62 -6.210 -10.340 -8.860 1.00 54.30 H new ATOM 0 HB3 SER A 62 -5.602 -9.022 -7.878 1.00 54.30 H new ATOM 0 HG SER A 62 -5.527 -9.369 -10.647 1.00 25.25 H new ATOM 974 N ALA A 63 -2.086 -9.878 -9.490 1.00 51.13 N ATOM 975 CA ALA A 63 -0.960 -9.011 -9.844 1.00 24.35 C ATOM 976 C ALA A 63 -1.467 -7.723 -10.506 1.00 25.30 C ATOM 977 O ALA A 63 -0.832 -6.676 -10.416 1.00 24.15 O ATOM 978 CB ALA A 63 0.005 -9.740 -10.775 1.00 65.21 C ATOM 0 H ALA A 63 -2.212 -10.671 -10.119 1.00 51.13 H new ATOM 0 HA ALA A 63 -0.427 -8.748 -8.931 1.00 24.35 H new ATOM 0 HB1 ALA A 63 0.835 -9.080 -11.027 1.00 65.21 H new ATOM 0 HB2 ALA A 63 0.388 -10.631 -10.277 1.00 65.21 H new ATOM 0 HB3 ALA A 63 -0.518 -10.030 -11.686 1.00 65.21 H new ATOM 984 N ALA A 64 -2.623 -7.814 -11.168 1.00 0.53 N ATOM 985 CA ALA A 64 -3.290 -6.633 -11.728 1.00 34.25 C ATOM 986 C ALA A 64 -3.569 -5.612 -10.623 1.00 73.25 C ATOM 987 O ALA A 64 -3.400 -4.404 -10.810 1.00 33.35 O ATOM 988 CB ALA A 64 -4.588 -7.031 -12.423 1.00 74.45 C ATOM 0 H ALA A 64 -3.117 -8.691 -11.330 1.00 0.53 H new ATOM 0 HA ALA A 64 -2.630 -6.179 -12.467 1.00 34.25 H new ATOM 0 HB1 ALA A 64 -5.069 -6.142 -12.832 1.00 74.45 H new ATOM 0 HB2 ALA A 64 -4.369 -7.729 -13.231 1.00 74.45 H new ATOM 0 HB3 ALA A 64 -5.255 -7.506 -11.704 1.00 74.45 H new ATOM 994 N LYS A 65 -3.975 -6.129 -9.460 1.00 73.12 N ATOM 995 CA LYS A 65 -4.195 -5.318 -8.256 1.00 23.52 C ATOM 996 C LYS A 65 -2.969 -4.442 -7.932 1.00 14.40 C ATOM 997 O LYS A 65 -3.100 -3.370 -7.343 1.00 5.21 O ATOM 998 CB LYS A 65 -4.538 -6.255 -7.076 1.00 14.21 C ATOM 999 CG LYS A 65 -4.845 -5.563 -5.742 1.00 74.52 C ATOM 1000 CD LYS A 65 -3.594 -5.282 -4.897 1.00 53.12 C ATOM 1001 CE LYS A 65 -2.934 -6.554 -4.357 1.00 14.04 C ATOM 1002 NZ LYS A 65 -2.219 -7.329 -5.409 1.00 12.13 N ATOM 0 H LYS A 65 -4.161 -7.123 -9.325 1.00 73.12 H new ATOM 0 HA LYS A 65 -5.028 -4.638 -8.433 1.00 23.52 H new ATOM 0 HB2 LYS A 65 -5.400 -6.861 -7.356 1.00 14.21 H new ATOM 0 HB3 LYS A 65 -3.703 -6.939 -6.925 1.00 14.21 H new ATOM 0 HG2 LYS A 65 -5.360 -4.623 -5.939 1.00 74.52 H new ATOM 0 HG3 LYS A 65 -5.530 -6.187 -5.167 1.00 74.52 H new ATOM 0 HD2 LYS A 65 -2.871 -4.733 -5.501 1.00 53.12 H new ATOM 0 HD3 LYS A 65 -3.865 -4.638 -4.061 1.00 53.12 H new ATOM 0 HE2 LYS A 65 -2.230 -6.285 -3.569 1.00 14.04 H new ATOM 0 HE3 LYS A 65 -3.696 -7.187 -3.901 1.00 14.04 H new ATOM 0 HZ1 LYS A 65 -1.379 -7.782 -4.996 1.00 12.13 H new ATOM 0 HZ2 LYS A 65 -2.852 -8.059 -5.793 1.00 12.13 H new ATOM 0 HZ3 LYS A 65 -1.926 -6.688 -6.174 1.00 12.13 H new ATOM 1016 N CYS A 66 -1.776 -4.897 -8.331 1.00 34.41 N ATOM 1017 CA CYS A 66 -0.537 -4.139 -8.096 1.00 12.10 C ATOM 1018 C CYS A 66 -0.576 -2.761 -8.761 1.00 54.42 C ATOM 1019 O CYS A 66 -0.333 -1.746 -8.113 1.00 40.21 O ATOM 1020 CB CYS A 66 0.680 -4.908 -8.612 1.00 21.14 C ATOM 1021 SG CYS A 66 2.191 -3.919 -8.693 1.00 40.14 S ATOM 0 H CYS A 66 -1.640 -5.783 -8.817 1.00 34.41 H new ATOM 0 HA CYS A 66 -0.454 -4.003 -7.018 1.00 12.10 H new ATOM 0 HB2 CYS A 66 0.855 -5.768 -7.966 1.00 21.14 H new ATOM 0 HB3 CYS A 66 0.458 -5.296 -9.606 1.00 21.14 H new ATOM 0 HG CYS A 66 1.998 -2.782 -8.094 1.00 40.14 H new ATOM 1027 N GLN A 67 -0.876 -2.730 -10.058 1.00 50.35 N ATOM 1028 CA GLN A 67 -0.913 -1.466 -10.802 1.00 71.00 C ATOM 1029 C GLN A 67 -2.174 -0.656 -10.458 1.00 40.24 C ATOM 1030 O GLN A 67 -2.175 0.571 -10.544 1.00 71.31 O ATOM 1031 CB GLN A 67 -0.832 -1.726 -12.315 1.00 5.50 C ATOM 1032 CG GLN A 67 -0.707 -0.457 -13.158 1.00 72.33 C ATOM 1033 CD GLN A 67 0.572 0.324 -12.884 1.00 10.25 C ATOM 1034 OE1 GLN A 67 0.617 1.181 -12.012 1.00 2.04 O ATOM 1035 NE2 GLN A 67 1.619 0.031 -13.629 1.00 14.01 N ATOM 0 H GLN A 67 -1.096 -3.556 -10.614 1.00 50.35 H new ATOM 0 HA GLN A 67 -0.045 -0.877 -10.506 1.00 71.00 H new ATOM 0 HB2 GLN A 67 0.024 -2.370 -12.517 1.00 5.50 H new ATOM 0 HB3 GLN A 67 -1.722 -2.271 -12.628 1.00 5.50 H new ATOM 0 HG2 GLN A 67 -0.742 -0.726 -14.214 1.00 72.33 H new ATOM 0 HG3 GLN A 67 -1.566 0.186 -12.964 1.00 72.33 H new ATOM 0 HE21 GLN A 67 1.548 -0.689 -14.348 1.00 14.01 H new ATOM 0 HE22 GLN A 67 2.500 0.524 -13.487 1.00 14.01 H new ATOM 1044 N GLU A 68 -3.247 -1.344 -10.065 1.00 22.21 N ATOM 1045 CA GLU A 68 -4.458 -0.664 -9.591 1.00 1.23 C ATOM 1046 C GLU A 68 -4.165 0.132 -8.306 1.00 53.33 C ATOM 1047 O GLU A 68 -4.566 1.290 -8.167 1.00 13.25 O ATOM 1048 CB GLU A 68 -5.588 -1.671 -9.333 1.00 44.04 C ATOM 1049 CG GLU A 68 -6.010 -2.459 -10.572 1.00 65.30 C ATOM 1050 CD GLU A 68 -7.235 -3.326 -10.323 1.00 74.52 C ATOM 1051 OE1 GLU A 68 -7.092 -4.430 -9.762 1.00 72.41 O ATOM 1052 OE2 GLU A 68 -8.356 -2.896 -10.676 1.00 50.42 O ATOM 0 H GLU A 68 -3.305 -2.362 -10.064 1.00 22.21 H new ATOM 0 HA GLU A 68 -4.779 0.027 -10.371 1.00 1.23 H new ATOM 0 HB2 GLU A 68 -5.268 -2.371 -8.561 1.00 44.04 H new ATOM 0 HB3 GLU A 68 -6.454 -1.138 -8.941 1.00 44.04 H new ATOM 0 HG2 GLU A 68 -6.220 -1.765 -11.386 1.00 65.30 H new ATOM 0 HG3 GLU A 68 -5.182 -3.090 -10.896 1.00 65.30 H new ATOM 1059 N PHE A 69 -3.464 -0.507 -7.370 1.00 60.10 N ATOM 1060 CA PHE A 69 -3.010 0.159 -6.145 1.00 41.34 C ATOM 1061 C PHE A 69 -1.933 1.207 -6.461 1.00 63.01 C ATOM 1062 O PHE A 69 -1.984 2.333 -5.968 1.00 64.43 O ATOM 1063 CB PHE A 69 -2.468 -0.880 -5.147 1.00 61.03 C ATOM 1064 CG PHE A 69 -1.916 -0.281 -3.873 1.00 43.13 C ATOM 1065 CD1 PHE A 69 -2.769 0.197 -2.888 1.00 73.12 C ATOM 1066 CD2 PHE A 69 -0.545 -0.196 -3.664 1.00 14.23 C ATOM 1067 CE1 PHE A 69 -2.267 0.747 -1.722 1.00 53.43 C ATOM 1068 CE2 PHE A 69 -0.039 0.353 -2.502 1.00 44.13 C ATOM 1069 CZ PHE A 69 -0.900 0.825 -1.529 1.00 64.22 C ATOM 0 H PHE A 69 -3.196 -1.489 -7.435 1.00 60.10 H new ATOM 0 HA PHE A 69 -3.861 0.670 -5.695 1.00 41.34 H new ATOM 0 HB2 PHE A 69 -3.268 -1.575 -4.892 1.00 61.03 H new ATOM 0 HB3 PHE A 69 -1.684 -1.460 -5.633 1.00 61.03 H new ATOM 0 HD1 PHE A 69 -3.838 0.139 -3.034 1.00 73.12 H new ATOM 0 HD2 PHE A 69 0.133 -0.564 -4.420 1.00 14.23 H new ATOM 0 HE1 PHE A 69 -2.942 1.115 -0.963 1.00 53.43 H new ATOM 0 HE2 PHE A 69 1.029 0.413 -2.354 1.00 44.13 H new ATOM 0 HZ PHE A 69 -0.506 1.254 -0.620 1.00 64.22 H new ATOM 1079 N GLY A 70 -0.965 0.824 -7.296 1.00 22.12 N ATOM 1080 CA GLY A 70 0.099 1.738 -7.704 1.00 2.13 C ATOM 1081 C GLY A 70 -0.426 3.014 -8.355 1.00 3.01 C ATOM 1082 O GLY A 70 0.119 4.093 -8.148 1.00 71.42 O ATOM 0 H GLY A 70 -0.897 -0.110 -7.701 1.00 22.12 H new ATOM 0 HA2 GLY A 70 0.698 2.002 -6.832 1.00 2.13 H new ATOM 0 HA3 GLY A 70 0.761 1.227 -8.403 1.00 2.13 H new ATOM 1086 N ARG A 71 -1.490 2.880 -9.143 1.00 40.20 N ATOM 1087 CA ARG A 71 -2.161 4.024 -9.772 1.00 23.44 C ATOM 1088 C ARG A 71 -2.541 5.088 -8.727 1.00 32.31 C ATOM 1089 O ARG A 71 -2.176 6.263 -8.844 1.00 71.23 O ATOM 1090 CB ARG A 71 -3.426 3.528 -10.486 1.00 62.22 C ATOM 1091 CG ARG A 71 -4.138 4.585 -11.321 1.00 61.44 C ATOM 1092 CD ARG A 71 -5.556 4.150 -11.681 1.00 72.42 C ATOM 1093 NE ARG A 71 -5.596 2.797 -12.240 1.00 20.21 N ATOM 1094 CZ ARG A 71 -6.422 1.861 -11.843 1.00 1.03 C ATOM 1095 NH1 ARG A 71 -7.274 2.096 -10.900 1.00 62.43 N ATOM 1096 NH2 ARG A 71 -6.381 0.694 -12.394 1.00 72.22 N ATOM 0 H ARG A 71 -1.914 1.979 -9.366 1.00 40.20 H new ATOM 0 HA ARG A 71 -1.478 4.482 -10.487 1.00 23.44 H new ATOM 0 HB2 ARG A 71 -3.158 2.692 -11.133 1.00 62.22 H new ATOM 0 HB3 ARG A 71 -4.122 3.144 -9.740 1.00 62.22 H new ATOM 0 HG2 ARG A 71 -4.173 5.524 -10.769 1.00 61.44 H new ATOM 0 HG3 ARG A 71 -3.571 4.773 -12.233 1.00 61.44 H new ATOM 0 HD2 ARG A 71 -6.184 4.192 -10.791 1.00 72.42 H new ATOM 0 HD3 ARG A 71 -5.977 4.851 -12.401 1.00 72.42 H new ATOM 0 HE ARG A 71 -4.939 2.569 -12.986 1.00 20.21 H new ATOM 0 HH11 ARG A 71 -7.306 3.015 -10.459 1.00 62.43 H new ATOM 0 HH12 ARG A 71 -7.914 1.362 -10.596 1.00 62.43 H new ATOM 0 HH21 ARG A 71 -5.707 0.504 -13.136 1.00 72.22 H new ATOM 0 HH22 ARG A 71 -7.022 -0.037 -12.088 1.00 72.22 H new ATOM 1110 N TRP A 72 -3.267 4.652 -7.701 1.00 0.33 N ATOM 1111 CA TRP A 72 -3.731 5.537 -6.628 1.00 65.33 C ATOM 1112 C TRP A 72 -2.565 5.995 -5.737 1.00 62.03 C ATOM 1113 O TRP A 72 -2.433 7.180 -5.424 1.00 50.15 O ATOM 1114 CB TRP A 72 -4.783 4.800 -5.785 1.00 33.33 C ATOM 1115 CG TRP A 72 -5.344 5.608 -4.646 1.00 33.20 C ATOM 1116 CD1 TRP A 72 -6.365 6.513 -4.708 1.00 42.41 C ATOM 1117 CD2 TRP A 72 -4.923 5.573 -3.276 1.00 22.03 C ATOM 1118 NE1 TRP A 72 -6.599 7.045 -3.465 1.00 14.24 N ATOM 1119 CE2 TRP A 72 -5.728 6.484 -2.570 1.00 20.43 C ATOM 1120 CE3 TRP A 72 -3.939 4.862 -2.581 1.00 55.34 C ATOM 1121 CZ2 TRP A 72 -5.582 6.703 -1.200 1.00 54.32 C ATOM 1122 CZ3 TRP A 72 -3.796 5.077 -1.221 1.00 45.31 C ATOM 1123 CH2 TRP A 72 -4.613 5.991 -0.543 1.00 12.41 C ATOM 0 H TRP A 72 -3.551 3.679 -7.587 1.00 0.33 H new ATOM 0 HA TRP A 72 -4.173 6.426 -7.077 1.00 65.33 H new ATOM 0 HB2 TRP A 72 -5.602 4.494 -6.435 1.00 33.33 H new ATOM 0 HB3 TRP A 72 -4.337 3.890 -5.384 1.00 33.33 H new ATOM 0 HD1 TRP A 72 -6.909 6.772 -5.604 1.00 42.41 H new ATOM 0 HE1 TRP A 72 -7.307 7.745 -3.244 1.00 14.24 H new ATOM 0 HE3 TRP A 72 -3.302 4.158 -3.096 1.00 55.34 H new ATOM 0 HZ2 TRP A 72 -6.210 7.408 -0.676 1.00 54.32 H new ATOM 0 HZ3 TRP A 72 -3.042 4.531 -0.673 1.00 45.31 H new ATOM 0 HH2 TRP A 72 -4.476 6.137 0.518 1.00 12.41 H new ATOM 1134 N TYR A 73 -1.718 5.044 -5.354 1.00 64.04 N ATOM 1135 CA TYR A 73 -0.601 5.301 -4.435 1.00 64.33 C ATOM 1136 C TYR A 73 0.460 6.232 -5.055 1.00 22.20 C ATOM 1137 O TYR A 73 1.094 7.019 -4.353 1.00 42.21 O ATOM 1138 CB TYR A 73 0.033 3.965 -4.018 1.00 30.52 C ATOM 1139 CG TYR A 73 1.131 4.087 -2.977 1.00 65.14 C ATOM 1140 CD1 TYR A 73 0.873 4.631 -1.720 1.00 33.14 C ATOM 1141 CD2 TYR A 73 2.427 3.663 -3.252 1.00 14.51 C ATOM 1142 CE1 TYR A 73 1.874 4.745 -0.774 1.00 73.12 C ATOM 1143 CE2 TYR A 73 3.431 3.776 -2.311 1.00 13.41 C ATOM 1144 CZ TYR A 73 3.150 4.316 -1.074 1.00 43.01 C ATOM 1145 OH TYR A 73 4.151 4.434 -0.137 1.00 55.12 O ATOM 0 H TYR A 73 -1.781 4.075 -5.667 1.00 64.04 H new ATOM 0 HA TYR A 73 -0.996 5.812 -3.557 1.00 64.33 H new ATOM 0 HB2 TYR A 73 -0.748 3.312 -3.629 1.00 30.52 H new ATOM 0 HB3 TYR A 73 0.442 3.479 -4.904 1.00 30.52 H new ATOM 0 HD1 TYR A 73 -0.125 4.969 -1.482 1.00 33.14 H new ATOM 0 HD2 TYR A 73 2.652 3.238 -4.219 1.00 14.51 H new ATOM 0 HE1 TYR A 73 1.658 5.168 0.196 1.00 73.12 H new ATOM 0 HE2 TYR A 73 4.432 3.443 -2.543 1.00 13.41 H new ATOM 0 HH TYR A 73 4.988 4.084 -0.507 1.00 55.12 H new ATOM 1155 N LYS A 74 0.655 6.135 -6.369 1.00 3.14 N ATOM 1156 CA LYS A 74 1.586 7.024 -7.080 1.00 12.24 C ATOM 1157 C LYS A 74 1.022 8.451 -7.142 1.00 23.34 C ATOM 1158 O LYS A 74 1.715 9.422 -6.831 1.00 62.12 O ATOM 1159 CB LYS A 74 1.867 6.481 -8.492 1.00 53.54 C ATOM 1160 CG LYS A 74 2.839 7.324 -9.313 1.00 71.31 C ATOM 1161 CD LYS A 74 3.319 6.582 -10.562 1.00 11.45 C ATOM 1162 CE LYS A 74 2.169 6.203 -11.494 1.00 74.24 C ATOM 1163 NZ LYS A 74 1.521 7.393 -12.101 1.00 73.15 N ATOM 0 H LYS A 74 0.185 5.454 -6.965 1.00 3.14 H new ATOM 0 HA LYS A 74 2.528 7.056 -6.533 1.00 12.24 H new ATOM 0 HB2 LYS A 74 2.266 5.470 -8.406 1.00 53.54 H new ATOM 0 HB3 LYS A 74 0.924 6.407 -9.033 1.00 53.54 H new ATOM 0 HG2 LYS A 74 2.354 8.255 -9.607 1.00 71.31 H new ATOM 0 HG3 LYS A 74 3.697 7.592 -8.697 1.00 71.31 H new ATOM 0 HD2 LYS A 74 4.029 7.208 -11.102 1.00 11.45 H new ATOM 0 HD3 LYS A 74 3.852 5.680 -10.263 1.00 11.45 H new ATOM 0 HE2 LYS A 74 2.544 5.553 -12.285 1.00 74.24 H new ATOM 0 HE3 LYS A 74 1.426 5.632 -10.937 1.00 74.24 H new ATOM 0 HZ1 LYS A 74 0.758 7.086 -12.738 1.00 73.15 H new ATOM 0 HZ2 LYS A 74 1.124 7.993 -11.350 1.00 73.15 H new ATOM 0 HZ3 LYS A 74 2.226 7.935 -12.641 1.00 73.15 H new ATOM 1177 N HIS A 75 -0.250 8.565 -7.517 1.00 43.32 N ATOM 1178 CA HIS A 75 -0.954 9.855 -7.512 1.00 31.42 C ATOM 1179 C HIS A 75 -0.960 10.466 -6.097 1.00 54.43 C ATOM 1180 O HIS A 75 -0.863 11.680 -5.928 1.00 45.21 O ATOM 1181 CB HIS A 75 -2.396 9.658 -8.011 1.00 4.14 C ATOM 1182 CG HIS A 75 -3.176 10.931 -8.174 1.00 60.53 C ATOM 1183 ND1 HIS A 75 -3.399 11.524 -9.400 1.00 75.23 N ATOM 1184 CD2 HIS A 75 -3.809 11.712 -7.264 1.00 1.43 C ATOM 1185 CE1 HIS A 75 -4.128 12.611 -9.237 1.00 4.42 C ATOM 1186 NE2 HIS A 75 -4.390 12.747 -7.954 1.00 12.40 N ATOM 0 H HIS A 75 -0.820 7.779 -7.830 1.00 43.32 H new ATOM 0 HA HIS A 75 -0.433 10.543 -8.178 1.00 31.42 H new ATOM 0 HB2 HIS A 75 -2.368 9.138 -8.969 1.00 4.14 H new ATOM 0 HB3 HIS A 75 -2.924 9.010 -7.312 1.00 4.14 H new ATOM 0 HD2 HIS A 75 -3.849 11.550 -6.197 1.00 1.43 H new ATOM 0 HE1 HIS A 75 -4.455 13.276 -10.023 1.00 4.42 H new ATOM 0 HE2 HIS A 75 -4.937 13.501 -7.539 1.00 12.40 H new ATOM 1195 N PHE A 76 -1.065 9.595 -5.096 1.00 51.12 N ATOM 1196 CA PHE A 76 -1.089 9.995 -3.682 1.00 5.34 C ATOM 1197 C PHE A 76 0.246 10.627 -3.238 1.00 1.52 C ATOM 1198 O PHE A 76 0.288 11.421 -2.296 1.00 34.24 O ATOM 1199 CB PHE A 76 -1.412 8.755 -2.828 1.00 41.53 C ATOM 1200 CG PHE A 76 -1.503 9.007 -1.346 1.00 42.14 C ATOM 1201 CD1 PHE A 76 -2.658 9.537 -0.788 1.00 34.55 C ATOM 1202 CD2 PHE A 76 -0.440 8.698 -0.509 1.00 41.02 C ATOM 1203 CE1 PHE A 76 -2.748 9.756 0.572 1.00 63.13 C ATOM 1204 CE2 PHE A 76 -0.527 8.913 0.850 1.00 12.10 C ATOM 1205 CZ PHE A 76 -1.681 9.444 1.391 1.00 42.54 C ATOM 0 H PHE A 76 -1.136 8.587 -5.238 1.00 51.12 H new ATOM 0 HA PHE A 76 -1.856 10.757 -3.545 1.00 5.34 H new ATOM 0 HB2 PHE A 76 -2.358 8.335 -3.168 1.00 41.53 H new ATOM 0 HB3 PHE A 76 -0.646 8.000 -3.006 1.00 41.53 H new ATOM 0 HD1 PHE A 76 -3.496 9.781 -1.425 1.00 34.55 H new ATOM 0 HD2 PHE A 76 0.466 8.284 -0.927 1.00 41.02 H new ATOM 0 HE1 PHE A 76 -3.651 10.171 0.995 1.00 63.13 H new ATOM 0 HE2 PHE A 76 0.307 8.666 1.491 1.00 12.10 H new ATOM 0 HZ PHE A 76 -1.749 9.615 2.455 1.00 42.54 H new ATOM 1215 N LYS A 77 1.334 10.270 -3.920 1.00 35.11 N ATOM 1216 CA LYS A 77 2.670 10.779 -3.575 1.00 31.55 C ATOM 1217 C LYS A 77 3.130 11.913 -4.510 1.00 14.43 C ATOM 1218 O LYS A 77 4.021 12.686 -4.151 1.00 31.15 O ATOM 1219 CB LYS A 77 3.698 9.638 -3.634 1.00 44.32 C ATOM 1220 CG LYS A 77 3.445 8.508 -2.635 1.00 44.44 C ATOM 1221 CD LYS A 77 4.470 7.383 -2.787 1.00 43.41 C ATOM 1222 CE LYS A 77 4.389 6.729 -4.161 1.00 11.11 C ATOM 1223 NZ LYS A 77 5.456 5.711 -4.360 1.00 3.25 N ATOM 0 H LYS A 77 1.321 9.631 -4.715 1.00 35.11 H new ATOM 0 HA LYS A 77 2.602 11.183 -2.565 1.00 31.55 H new ATOM 0 HB2 LYS A 77 3.703 9.222 -4.641 1.00 44.32 H new ATOM 0 HB3 LYS A 77 4.691 10.050 -3.454 1.00 44.32 H new ATOM 0 HG2 LYS A 77 3.485 8.903 -1.620 1.00 44.44 H new ATOM 0 HG3 LYS A 77 2.441 8.109 -2.782 1.00 44.44 H new ATOM 0 HD2 LYS A 77 5.473 7.781 -2.632 1.00 43.41 H new ATOM 0 HD3 LYS A 77 4.302 6.631 -2.016 1.00 43.41 H new ATOM 0 HE2 LYS A 77 3.413 6.259 -4.281 1.00 11.11 H new ATOM 0 HE3 LYS A 77 4.471 7.495 -4.932 1.00 11.11 H new ATOM 0 HZ1 LYS A 77 5.159 5.036 -5.093 1.00 3.25 H new ATOM 0 HZ2 LYS A 77 6.334 6.182 -4.658 1.00 3.25 H new ATOM 0 HZ3 LYS A 77 5.621 5.203 -3.468 1.00 3.25 H new ATOM 1237 N LYS A 78 2.517 12.006 -5.695 1.00 55.13 N ATOM 1238 CA LYS A 78 2.973 12.918 -6.763 1.00 21.02 C ATOM 1239 C LYS A 78 4.353 12.495 -7.301 1.00 21.34 C ATOM 1240 O LYS A 78 4.464 12.005 -8.425 1.00 4.03 O ATOM 1241 CB LYS A 78 3.011 14.388 -6.292 1.00 15.43 C ATOM 1242 CG LYS A 78 1.639 15.030 -6.085 1.00 1.12 C ATOM 1243 CD LYS A 78 0.825 15.066 -7.382 1.00 61.40 C ATOM 1244 CE LYS A 78 -0.449 15.899 -7.242 1.00 44.44 C ATOM 1245 NZ LYS A 78 -0.157 17.353 -7.113 1.00 34.02 N ATOM 0 H LYS A 78 1.695 11.457 -5.945 1.00 55.13 H new ATOM 0 HA LYS A 78 2.245 12.847 -7.571 1.00 21.02 H new ATOM 0 HB2 LYS A 78 3.566 14.441 -5.356 1.00 15.43 H new ATOM 0 HB3 LYS A 78 3.565 14.975 -7.024 1.00 15.43 H new ATOM 0 HG2 LYS A 78 1.089 14.474 -5.326 1.00 1.12 H new ATOM 0 HG3 LYS A 78 1.766 16.045 -5.707 1.00 1.12 H new ATOM 0 HD2 LYS A 78 1.439 15.477 -8.183 1.00 61.40 H new ATOM 0 HD3 LYS A 78 0.562 14.049 -7.672 1.00 61.40 H new ATOM 0 HE2 LYS A 78 -1.087 15.734 -8.110 1.00 44.44 H new ATOM 0 HE3 LYS A 78 -1.007 15.563 -6.368 1.00 44.44 H new ATOM 0 HZ1 LYS A 78 -0.843 17.896 -7.675 1.00 34.02 H new ATOM 0 HZ2 LYS A 78 -0.228 17.634 -6.114 1.00 34.02 H new ATOM 0 HZ3 LYS A 78 0.804 17.546 -7.459 1.00 34.02 H new ATOM 1259 N THR A 79 5.394 12.690 -6.485 1.00 60.44 N ATOM 1260 CA THR A 79 6.776 12.295 -6.828 1.00 53.04 C ATOM 1261 C THR A 79 7.380 13.157 -7.954 1.00 24.24 C ATOM 1262 O THR A 79 8.375 13.856 -7.744 1.00 70.23 O ATOM 1263 CB THR A 79 6.881 10.791 -7.213 1.00 2.10 C ATOM 1264 OG1 THR A 79 6.459 9.964 -6.113 1.00 70.24 O ATOM 1265 CG2 THR A 79 8.311 10.418 -7.604 1.00 23.32 C ATOM 0 H THR A 79 5.309 13.126 -5.567 1.00 60.44 H new ATOM 0 HA THR A 79 7.355 12.465 -5.920 1.00 53.04 H new ATOM 0 HB THR A 79 6.229 10.623 -8.070 1.00 2.10 H new ATOM 0 HG1 THR A 79 6.528 9.020 -6.368 1.00 70.24 H new ATOM 0 HG21 THR A 79 8.352 9.361 -7.868 1.00 23.32 H new ATOM 0 HG22 THR A 79 8.623 11.018 -8.459 1.00 23.32 H new ATOM 0 HG23 THR A 79 8.979 10.609 -6.764 1.00 23.32 H new ATOM 1273 N LYS A 80 6.792 13.097 -9.145 1.00 13.22 N ATOM 1274 CA LYS A 80 7.295 13.843 -10.304 1.00 0.22 C ATOM 1275 C LYS A 80 6.698 15.261 -10.368 1.00 32.35 C ATOM 1276 O LYS A 80 5.478 15.431 -10.455 1.00 10.31 O ATOM 1277 CB LYS A 80 6.963 13.073 -11.589 1.00 20.30 C ATOM 1278 CG LYS A 80 7.440 11.622 -11.568 1.00 71.53 C ATOM 1279 CD LYS A 80 7.114 10.893 -12.871 1.00 72.44 C ATOM 1280 CE LYS A 80 7.822 11.521 -14.066 1.00 44.51 C ATOM 1281 NZ LYS A 80 9.304 11.481 -13.919 1.00 74.21 N ATOM 0 H LYS A 80 5.961 12.537 -9.338 1.00 13.22 H new ATOM 0 HA LYS A 80 8.375 13.945 -10.202 1.00 0.22 H new ATOM 0 HB2 LYS A 80 5.884 13.091 -11.746 1.00 20.30 H new ATOM 0 HB3 LYS A 80 7.417 13.585 -12.438 1.00 20.30 H new ATOM 0 HG2 LYS A 80 8.516 11.597 -11.398 1.00 71.53 H new ATOM 0 HG3 LYS A 80 6.973 11.099 -10.733 1.00 71.53 H new ATOM 0 HD2 LYS A 80 7.407 9.847 -12.785 1.00 72.44 H new ATOM 0 HD3 LYS A 80 6.037 10.910 -13.037 1.00 72.44 H new ATOM 0 HE2 LYS A 80 7.533 10.995 -14.976 1.00 44.51 H new ATOM 0 HE3 LYS A 80 7.496 12.555 -14.178 1.00 44.51 H new ATOM 0 HZ1 LYS A 80 9.750 11.727 -14.826 1.00 74.21 H new ATOM 0 HZ2 LYS A 80 9.599 12.164 -13.192 1.00 74.21 H new ATOM 0 HZ3 LYS A 80 9.599 10.525 -13.636 1.00 74.21 H new ATOM 1295 N ASP A 81 7.563 16.274 -10.338 1.00 22.21 N ATOM 1296 CA ASP A 81 7.117 17.672 -10.379 1.00 11.13 C ATOM 1297 C ASP A 81 6.605 18.068 -11.774 1.00 12.24 C ATOM 1298 O ASP A 81 7.331 18.636 -12.592 1.00 22.30 O ATOM 1299 CB ASP A 81 8.242 18.610 -9.934 1.00 51.11 C ATOM 1300 CG ASP A 81 8.585 18.433 -8.464 1.00 31.23 C ATOM 1301 OD1 ASP A 81 7.841 18.962 -7.612 1.00 63.14 O ATOM 1302 OD2 ASP A 81 9.586 17.755 -8.155 1.00 70.21 O ATOM 0 H ASP A 81 8.575 16.157 -10.286 1.00 22.21 H new ATOM 0 HA ASP A 81 6.283 17.769 -9.684 1.00 11.13 H new ATOM 0 HB2 ASP A 81 9.130 18.423 -10.538 1.00 51.11 H new ATOM 0 HB3 ASP A 81 7.945 19.643 -10.115 1.00 51.11 H new ATOM 1307 N MET A 82 5.350 17.726 -12.038 1.00 62.25 N ATOM 1308 CA MET A 82 4.687 18.079 -13.300 1.00 71.32 C ATOM 1309 C MET A 82 3.220 18.473 -13.060 1.00 63.02 C ATOM 1310 O MET A 82 2.474 18.735 -14.002 1.00 31.12 O ATOM 1311 CB MET A 82 4.765 16.896 -14.274 1.00 34.43 C ATOM 1312 CG MET A 82 4.164 15.609 -13.722 1.00 32.02 C ATOM 1313 SD MET A 82 4.449 14.192 -14.801 1.00 32.42 S ATOM 1314 CE MET A 82 3.642 12.890 -13.867 1.00 12.44 C ATOM 0 H MET A 82 4.761 17.200 -11.392 1.00 62.25 H new ATOM 0 HA MET A 82 5.201 18.938 -13.733 1.00 71.32 H new ATOM 0 HB2 MET A 82 4.249 17.161 -15.197 1.00 34.43 H new ATOM 0 HB3 MET A 82 5.809 16.718 -14.533 1.00 34.43 H new ATOM 0 HG2 MET A 82 4.591 15.405 -12.740 1.00 32.02 H new ATOM 0 HG3 MET A 82 3.092 15.744 -13.582 1.00 32.02 H new ATOM 0 HE1 MET A 82 4.069 11.926 -14.143 1.00 12.44 H new ATOM 0 HE2 MET A 82 3.791 13.061 -12.801 1.00 12.44 H new ATOM 0 HE3 MET A 82 2.575 12.891 -14.089 1.00 12.44 H new ATOM 1324 N MET A 83 2.827 18.516 -11.787 1.00 31.43 N ATOM 1325 CA MET A 83 1.447 18.834 -11.390 1.00 23.41 C ATOM 1326 C MET A 83 1.399 19.258 -9.909 1.00 25.52 C ATOM 1327 O MET A 83 1.552 18.384 -9.024 1.00 37.44 O ATOM 1328 CB MET A 83 0.528 17.622 -11.641 1.00 11.21 C ATOM 1329 CG MET A 83 -0.954 17.879 -11.371 1.00 3.43 C ATOM 1330 SD MET A 83 -1.333 18.066 -9.615 1.00 61.25 S ATOM 1331 CE MET A 83 -3.101 18.353 -9.669 1.00 14.30 C ATOM 1332 OXT MET A 83 1.235 20.468 -9.635 1.00 37.44 O ATOM 0 H MET A 83 3.451 18.333 -11.001 1.00 31.43 H new ATOM 0 HA MET A 83 1.091 19.667 -11.995 1.00 23.41 H new ATOM 0 HB2 MET A 83 0.645 17.303 -12.677 1.00 11.21 H new ATOM 0 HB3 MET A 83 0.860 16.795 -11.013 1.00 11.21 H new ATOM 0 HG2 MET A 83 -1.263 18.780 -11.901 1.00 3.43 H new ATOM 0 HG3 MET A 83 -1.539 17.054 -11.777 1.00 3.43 H new ATOM 0 HE1 MET A 83 -3.479 18.487 -8.655 1.00 14.30 H new ATOM 0 HE2 MET A 83 -3.306 19.249 -10.254 1.00 14.30 H new ATOM 0 HE3 MET A 83 -3.595 17.497 -10.130 1.00 14.30 H new TER 1342 MET A 83