USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1530 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 51 ASN : amide:sc= -5.22! C(o=-5.8!,f=-11!) USER MOD Set 1.2: B 70 SER OG : rot -103:sc= -0.549! USER MOD Set 2.1: B 13 THR OG1 : rot 180:sc= 0.274 USER MOD Set 2.2: B 14 LYS NZ :NH3+ 161:sc= 0.211 (180deg=-0.189) USER MOD Set 3.1: A 70 SER OG : rot -162:sc= -0.273! USER MOD Set 3.2: B 51 ASN : amide:sc= -2.79! C(o=-3.1!,f=-13!) USER MOD Set 4.1: A 13 THR OG1 : rot -160:sc= -1.76 USER MOD Set 4.2: A 14 LYS NZ :NH3+ 166:sc= -1.69! (180deg=-2.26!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.292 (180deg=-1.3!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -4.43! C(o=-11!,f=-4.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-5.1) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.0155 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0966 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 80:sc= -0.434 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.94) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 79 SER OG : rot -110:sc= -0.113 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 0.773 (180deg=0.395) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -147:sc= -0.109 (180deg=-0.742) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN :FLIP amide:sc= -4.95! C(o=-8.6!,f=-4.9!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : B 19 HIS : no HE2:sc= -4.06 K(o=-4.1,f=-4.8!) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN :FLIP amide:sc=-0.00626 F(o=-1.4,f=-0.0063) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -160:sc= 0 USER MOD Single : B 44 SER OG : rot 180:sc= 0.0959 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 85:sc= 0.574 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.0778 K(o=-0.078,f=-1.3!) USER MOD Single : B 65 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.74) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 68 THR OG1 : rot 102:sc= -0.432 USER MOD Single : B 79 SER OG : rot -120:sc= -1.82 USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.905) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.855 -0.052 -18.855 1.00 4.01 N ATOM 2 CA MET A 1 20.870 1.161 -17.987 1.00 3.21 C ATOM 3 C MET A 1 19.956 0.932 -16.781 1.00 2.18 C ATOM 4 O MET A 1 18.757 0.796 -16.921 1.00 2.40 O ATOM 5 CB MET A 1 20.371 2.365 -18.789 1.00 3.87 C ATOM 6 CG MET A 1 21.304 2.609 -19.977 1.00 4.69 C ATOM 7 SD MET A 1 20.338 3.178 -21.397 1.00 5.64 S ATOM 8 CE MET A 1 21.655 4.117 -22.207 1.00 6.33 C ATOM 0 H1 MET A 1 21.792 -0.180 -19.289 1.00 4.01 H new ATOM 0 H2 MET A 1 20.622 -0.887 -18.281 1.00 4.01 H new ATOM 0 H3 MET A 1 20.141 0.064 -19.602 1.00 4.01 H new ATOM 0 HA MET A 1 21.886 1.353 -17.641 1.00 3.21 H new ATOM 0 HB2 MET A 1 19.355 2.185 -19.142 1.00 3.87 H new ATOM 0 HB3 MET A 1 20.336 3.250 -18.153 1.00 3.87 H new ATOM 0 HG2 MET A 1 22.057 3.352 -19.715 1.00 4.69 H new ATOM 0 HG3 MET A 1 21.836 1.692 -20.230 1.00 4.69 H new ATOM 0 HE1 MET A 1 21.272 4.564 -23.124 1.00 6.33 H new ATOM 0 HE2 MET A 1 22.005 4.904 -21.539 1.00 6.33 H new ATOM 0 HE3 MET A 1 22.483 3.450 -22.447 1.00 6.33 H new ATOM 20 N THR A 2 20.519 0.886 -15.599 1.00 1.58 N ATOM 21 CA THR A 2 19.692 0.660 -14.374 1.00 1.09 C ATOM 22 C THR A 2 20.088 1.668 -13.290 1.00 0.90 C ATOM 23 O THR A 2 20.038 1.375 -12.114 1.00 1.71 O ATOM 24 CB THR A 2 19.929 -0.763 -13.859 1.00 1.87 C ATOM 25 OG1 THR A 2 19.825 -1.679 -14.940 1.00 2.53 O ATOM 26 CG2 THR A 2 18.886 -1.108 -12.795 1.00 2.32 C ATOM 0 H THR A 2 21.519 0.996 -15.430 1.00 1.58 H new ATOM 0 HA THR A 2 18.638 0.791 -14.619 1.00 1.09 H new ATOM 0 HB THR A 2 20.925 -0.827 -13.420 1.00 1.87 H new ATOM 0 HG1 THR A 2 19.978 -2.590 -14.613 1.00 2.53 H new ATOM 0 HG21 THR A 2 19.058 -2.121 -12.432 1.00 2.32 H new ATOM 0 HG22 THR A 2 18.967 -0.406 -11.965 1.00 2.32 H new ATOM 0 HG23 THR A 2 17.888 -1.043 -13.229 1.00 2.32 H new ATOM 34 N GLU A 3 20.467 2.855 -13.676 1.00 0.79 N ATOM 35 CA GLU A 3 20.853 3.892 -12.670 1.00 0.55 C ATOM 36 C GLU A 3 19.592 4.586 -12.150 1.00 0.53 C ATOM 37 O GLU A 3 19.651 5.416 -11.270 1.00 0.58 O ATOM 38 CB GLU A 3 21.747 4.935 -13.337 1.00 0.66 C ATOM 39 CG GLU A 3 22.446 4.319 -14.548 1.00 1.13 C ATOM 40 CD GLU A 3 23.673 5.158 -14.908 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.489 6.279 -15.355 1.00 1.60 O ATOM 42 OE2 GLU A 3 24.776 4.668 -14.728 1.00 1.75 O ATOM 0 H GLU A 3 20.527 3.155 -14.649 1.00 0.79 H new ATOM 0 HA GLU A 3 21.385 3.417 -11.845 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.151 5.793 -13.647 1.00 0.66 H new ATOM 0 HB3 GLU A 3 22.487 5.301 -12.626 1.00 0.66 H new ATOM 0 HG2 GLU A 3 22.745 3.294 -14.327 1.00 1.13 H new ATOM 0 HG3 GLU A 3 21.760 4.276 -15.394 1.00 1.13 H new ATOM 49 N LYS A 4 18.452 4.256 -12.689 1.00 0.59 N ATOM 50 CA LYS A 4 17.193 4.895 -12.209 1.00 0.59 C ATOM 51 C LYS A 4 16.004 4.030 -12.623 1.00 0.59 C ATOM 52 O LYS A 4 15.081 4.490 -13.265 1.00 0.89 O ATOM 53 CB LYS A 4 17.051 6.304 -12.800 1.00 0.54 C ATOM 54 CG LYS A 4 17.608 6.337 -14.221 1.00 1.07 C ATOM 55 CD LYS A 4 17.191 7.645 -14.901 1.00 1.12 C ATOM 56 CE LYS A 4 16.004 7.384 -15.833 1.00 1.71 C ATOM 57 NZ LYS A 4 15.463 8.683 -16.328 1.00 2.24 N ATOM 0 H LYS A 4 18.336 3.574 -13.439 1.00 0.59 H new ATOM 0 HA LYS A 4 17.223 4.980 -11.123 1.00 0.59 H new ATOM 0 HB2 LYS A 4 16.002 6.600 -12.806 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.582 7.023 -12.176 1.00 0.54 H new ATOM 0 HG2 LYS A 4 18.695 6.256 -14.199 1.00 1.07 H new ATOM 0 HG3 LYS A 4 17.236 5.484 -14.789 1.00 1.07 H new ATOM 0 HD2 LYS A 4 16.920 8.387 -14.150 1.00 1.12 H new ATOM 0 HD3 LYS A 4 18.027 8.055 -15.467 1.00 1.12 H new ATOM 0 HE2 LYS A 4 16.318 6.765 -16.674 1.00 1.71 H new ATOM 0 HE3 LYS A 4 15.227 6.833 -15.303 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 14.657 8.505 -16.961 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 15.149 9.258 -15.521 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 16.205 9.193 -16.848 1.00 2.24 H new ATOM 71 N LEU A 5 16.013 2.779 -12.248 1.00 0.58 N ATOM 72 CA LEU A 5 14.882 1.882 -12.611 1.00 0.62 C ATOM 73 C LEU A 5 15.076 0.532 -11.926 1.00 0.75 C ATOM 74 O LEU A 5 14.975 -0.508 -12.543 1.00 1.54 O ATOM 75 CB LEU A 5 14.850 1.667 -14.124 1.00 0.73 C ATOM 76 CG LEU A 5 13.547 0.965 -14.504 1.00 1.02 C ATOM 77 CD1 LEU A 5 12.607 1.972 -15.166 1.00 1.39 C ATOM 78 CD2 LEU A 5 13.841 -0.178 -15.478 1.00 1.67 C ATOM 0 H LEU A 5 16.757 2.340 -11.705 1.00 0.58 H new ATOM 0 HA LEU A 5 13.946 2.339 -12.290 1.00 0.62 H new ATOM 0 HB2 LEU A 5 14.926 2.624 -14.641 1.00 0.73 H new ATOM 0 HB3 LEU A 5 15.705 1.067 -14.436 1.00 0.73 H new ATOM 0 HG LEU A 5 13.078 0.560 -13.608 1.00 1.02 H new ATOM 0 HD11 LEU A 5 11.676 1.476 -15.439 1.00 1.39 H new ATOM 0 HD12 LEU A 5 12.395 2.784 -14.470 1.00 1.39 H new ATOM 0 HD13 LEU A 5 13.079 2.376 -16.062 1.00 1.39 H new ATOM 0 HD21 LEU A 5 12.909 -0.676 -15.746 1.00 1.67 H new ATOM 0 HD22 LEU A 5 14.311 0.222 -16.377 1.00 1.67 H new ATOM 0 HD23 LEU A 5 14.513 -0.895 -15.006 1.00 1.67 H new ATOM 90 N ASN A 6 15.397 0.539 -10.672 1.00 0.26 N ATOM 91 CA ASN A 6 15.649 -0.741 -9.961 1.00 0.26 C ATOM 92 C ASN A 6 14.363 -1.285 -9.331 1.00 0.24 C ATOM 93 O ASN A 6 13.838 -0.727 -8.394 1.00 0.26 O ATOM 94 CB ASN A 6 16.670 -0.468 -8.869 1.00 0.35 C ATOM 95 CG ASN A 6 17.009 -1.761 -8.134 1.00 0.93 C ATOM 96 OD1 ASN A 6 16.907 -1.802 -6.836 1.00 1.72 O flip ATOM 97 ND2 ASN A 6 17.376 -2.743 -8.746 1.00 1.39 N flip ATOM 0 H ASN A 6 15.497 1.379 -10.102 1.00 0.26 H new ATOM 0 HA ASN A 6 16.015 -1.486 -10.668 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.573 -0.040 -9.304 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.275 0.266 -8.167 1.00 0.35 H new ATOM 0 HD21 ASN A 6 17.456 -2.710 -9.762 1.00 1.39 H new ATOM 0 HD22 ASN A 6 17.605 -3.601 -8.244 1.00 1.39 H new ATOM 104 N GLU A 7 13.861 -2.384 -9.823 1.00 0.25 N ATOM 105 CA GLU A 7 12.621 -2.955 -9.229 1.00 0.28 C ATOM 106 C GLU A 7 13.004 -3.956 -8.145 1.00 0.28 C ATOM 107 O GLU A 7 13.697 -4.922 -8.398 1.00 0.30 O ATOM 108 CB GLU A 7 11.801 -3.652 -10.312 1.00 0.35 C ATOM 109 CG GLU A 7 12.554 -4.888 -10.803 1.00 0.44 C ATOM 110 CD GLU A 7 12.086 -5.249 -12.214 1.00 0.75 C ATOM 111 OE1 GLU A 7 10.918 -5.049 -12.500 1.00 1.12 O ATOM 112 OE2 GLU A 7 12.906 -5.721 -12.985 1.00 1.44 O ATOM 0 H GLU A 7 14.253 -2.908 -10.605 1.00 0.25 H new ATOM 0 HA GLU A 7 12.022 -2.155 -8.794 1.00 0.28 H new ATOM 0 HB2 GLU A 7 10.827 -3.939 -9.917 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.620 -2.969 -11.142 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.627 -4.696 -10.803 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.380 -5.725 -10.126 1.00 0.44 H new ATOM 119 N ILE A 8 12.585 -3.702 -6.932 1.00 0.28 N ATOM 120 CA ILE A 8 12.960 -4.626 -5.803 1.00 0.31 C ATOM 121 C ILE A 8 11.732 -5.153 -5.059 1.00 0.28 C ATOM 122 O ILE A 8 10.717 -4.512 -4.956 1.00 0.28 O ATOM 123 CB ILE A 8 13.847 -3.886 -4.805 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.145 -3.448 -5.496 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.167 -4.805 -3.622 1.00 0.56 C ATOM 126 CD1 ILE A 8 16.203 -4.553 -5.389 1.00 1.11 C ATOM 0 H ILE A 8 12.005 -2.905 -6.669 1.00 0.28 H new ATOM 0 HA ILE A 8 13.489 -5.472 -6.242 1.00 0.31 H new ATOM 0 HB ILE A 8 13.324 -3.003 -4.438 1.00 0.35 H new ATOM 0 HG12 ILE A 8 14.949 -3.223 -6.544 1.00 0.42 H new ATOM 0 HG13 ILE A 8 15.518 -2.532 -5.038 1.00 0.42 H new ATOM 0 HG21 ILE A 8 14.800 -4.275 -2.911 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.240 -5.103 -3.131 1.00 0.56 H new ATOM 0 HG23 ILE A 8 14.688 -5.692 -3.981 1.00 0.56 H new ATOM 0 HD11 ILE A 8 17.119 -4.229 -5.883 1.00 1.11 H new ATOM 0 HD12 ILE A 8 16.411 -4.758 -4.339 1.00 1.11 H new ATOM 0 HD13 ILE A 8 15.833 -5.459 -5.869 1.00 1.11 H new ATOM 138 N VAL A 9 11.839 -6.351 -4.563 1.00 0.28 N ATOM 139 CA VAL A 9 10.709 -6.983 -3.822 1.00 0.27 C ATOM 140 C VAL A 9 11.068 -7.123 -2.345 1.00 0.24 C ATOM 141 O VAL A 9 12.129 -7.595 -1.986 1.00 0.25 O ATOM 142 CB VAL A 9 10.434 -8.367 -4.403 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.398 -9.091 -3.542 1.00 1.35 C ATOM 144 CG2 VAL A 9 9.905 -8.229 -5.831 1.00 1.27 C ATOM 0 H VAL A 9 12.675 -6.931 -4.640 1.00 0.28 H new ATOM 0 HA VAL A 9 9.823 -6.356 -3.920 1.00 0.27 H new ATOM 0 HB VAL A 9 11.360 -8.942 -4.414 1.00 0.30 H new ATOM 0 HG11 VAL A 9 9.204 -10.079 -3.960 1.00 1.35 H new ATOM 0 HG12 VAL A 9 9.778 -9.195 -2.526 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.472 -8.516 -3.526 1.00 1.35 H new ATOM 0 HG21 VAL A 9 9.709 -9.219 -6.244 1.00 1.27 H new ATOM 0 HG22 VAL A 9 8.981 -7.650 -5.823 1.00 1.27 H new ATOM 0 HG23 VAL A 9 10.647 -7.719 -6.446 1.00 1.27 H new ATOM 154 N VAL A 10 10.191 -6.689 -1.494 1.00 0.23 N ATOM 155 CA VAL A 10 10.461 -6.757 -0.035 1.00 0.22 C ATOM 156 C VAL A 10 9.981 -8.118 0.479 1.00 0.20 C ATOM 157 O VAL A 10 9.214 -8.790 -0.181 1.00 0.20 O ATOM 158 CB VAL A 10 9.698 -5.612 0.647 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.309 -6.092 1.080 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.474 -5.119 1.866 1.00 0.39 C ATOM 0 H VAL A 10 9.289 -6.286 -1.747 1.00 0.23 H new ATOM 0 HA VAL A 10 11.524 -6.653 0.182 1.00 0.22 H new ATOM 0 HB VAL A 10 9.588 -4.792 -0.063 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.775 -5.273 1.563 1.00 0.33 H new ATOM 0 HG12 VAL A 10 7.750 -6.424 0.205 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.412 -6.921 1.781 1.00 0.33 H new ATOM 0 HG21 VAL A 10 9.925 -4.307 2.343 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.598 -5.938 2.574 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.454 -4.759 1.552 1.00 0.39 H new ATOM 170 N ARG A 11 10.442 -8.546 1.635 1.00 0.20 N ATOM 171 CA ARG A 11 10.018 -9.882 2.158 1.00 0.19 C ATOM 172 C ARG A 11 9.610 -9.772 3.621 1.00 0.22 C ATOM 173 O ARG A 11 9.891 -8.798 4.292 1.00 0.22 O ATOM 174 CB ARG A 11 11.176 -10.887 2.071 1.00 0.20 C ATOM 175 CG ARG A 11 12.286 -10.372 1.147 1.00 0.30 C ATOM 176 CD ARG A 11 13.122 -11.557 0.658 1.00 0.34 C ATOM 177 NE ARG A 11 14.213 -11.067 -0.231 1.00 1.17 N ATOM 178 CZ ARG A 11 13.968 -10.810 -1.487 1.00 1.42 C ATOM 179 NH1 ARG A 11 12.765 -10.980 -1.967 1.00 1.51 N ATOM 180 NH2 ARG A 11 14.925 -10.383 -2.264 1.00 2.27 N ATOM 0 H ARG A 11 11.088 -8.030 2.232 1.00 0.20 H new ATOM 0 HA ARG A 11 9.178 -10.221 1.552 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.582 -11.066 3.067 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.805 -11.843 1.701 1.00 0.20 H new ATOM 0 HG2 ARG A 11 11.853 -9.842 0.299 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.918 -9.660 1.679 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.545 -12.092 1.508 1.00 0.34 H new ATOM 0 HD3 ARG A 11 12.490 -12.263 0.119 1.00 0.34 H new ATOM 0 HE ARG A 11 15.153 -10.932 0.143 1.00 1.17 H new ATOM 0 HH11 ARG A 11 12.016 -11.314 -1.360 1.00 1.51 H new ATOM 0 HH12 ARG A 11 12.574 -10.779 -2.949 1.00 1.51 H new ATOM 0 HH21 ARG A 11 15.865 -10.250 -1.890 1.00 2.27 H new ATOM 0 HH22 ARG A 11 14.734 -10.182 -3.246 1.00 2.27 H new ATOM 194 N LYS A 12 8.967 -10.787 4.121 1.00 0.27 N ATOM 195 CA LYS A 12 8.551 -10.782 5.546 1.00 0.32 C ATOM 196 C LYS A 12 9.742 -11.161 6.402 1.00 0.35 C ATOM 197 O LYS A 12 9.835 -10.789 7.555 1.00 0.43 O ATOM 198 CB LYS A 12 7.430 -11.788 5.783 1.00 0.35 C ATOM 199 CG LYS A 12 7.804 -13.175 5.231 1.00 0.38 C ATOM 200 CD LYS A 12 8.356 -14.070 6.345 1.00 1.05 C ATOM 201 CE LYS A 12 8.451 -15.506 5.830 1.00 1.03 C ATOM 202 NZ LYS A 12 7.396 -16.337 6.477 1.00 1.78 N ATOM 0 H LYS A 12 8.711 -11.625 3.599 1.00 0.27 H new ATOM 0 HA LYS A 12 8.190 -9.787 5.807 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.223 -11.862 6.851 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.515 -11.437 5.305 1.00 0.35 H new ATOM 0 HG2 LYS A 12 6.927 -13.642 4.783 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.547 -13.069 4.441 1.00 0.38 H new ATOM 0 HD2 LYS A 12 9.338 -13.717 6.659 1.00 1.05 H new ATOM 0 HD3 LYS A 12 7.707 -14.026 7.219 1.00 1.05 H new ATOM 0 HE2 LYS A 12 8.330 -15.524 4.747 1.00 1.03 H new ATOM 0 HE3 LYS A 12 9.437 -15.917 6.047 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 7.460 -17.314 6.127 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 7.532 -16.329 7.508 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 6.459 -15.948 6.248 1.00 1.78 H new ATOM 216 N THR A 13 10.674 -11.878 5.847 1.00 0.34 N ATOM 217 CA THR A 13 11.858 -12.238 6.646 1.00 0.44 C ATOM 218 C THR A 13 12.623 -10.945 6.878 1.00 0.58 C ATOM 219 O THR A 13 12.804 -10.507 7.996 1.00 1.08 O ATOM 220 CB THR A 13 12.721 -13.249 5.883 1.00 0.48 C ATOM 221 OG1 THR A 13 13.015 -12.741 4.590 1.00 1.24 O ATOM 222 CG2 THR A 13 11.962 -14.572 5.750 1.00 1.01 C ATOM 0 H THR A 13 10.663 -12.224 4.887 1.00 0.34 H new ATOM 0 HA THR A 13 11.578 -12.702 7.592 1.00 0.44 H new ATOM 0 HB THR A 13 13.650 -13.416 6.428 1.00 0.48 H new ATOM 0 HG1 THR A 13 13.278 -13.479 4.001 1.00 1.24 H new ATOM 0 HG21 THR A 13 12.576 -15.291 5.207 1.00 1.01 H new ATOM 0 HG22 THR A 13 11.736 -14.963 6.742 1.00 1.01 H new ATOM 0 HG23 THR A 13 11.032 -14.405 5.206 1.00 1.01 H new ATOM 230 N LYS A 14 13.095 -10.339 5.823 1.00 0.35 N ATOM 231 CA LYS A 14 13.870 -9.085 5.958 1.00 0.43 C ATOM 232 C LYS A 14 13.058 -8.046 6.727 1.00 0.57 C ATOM 233 O LYS A 14 11.898 -7.807 6.459 1.00 1.34 O ATOM 234 CB LYS A 14 14.167 -8.559 4.554 1.00 0.39 C ATOM 235 CG LYS A 14 15.311 -9.359 3.948 1.00 0.60 C ATOM 236 CD LYS A 14 14.886 -10.816 3.811 1.00 0.86 C ATOM 237 CE LYS A 14 15.782 -11.489 2.793 1.00 1.06 C ATOM 238 NZ LYS A 14 15.450 -12.939 2.712 1.00 1.41 N ATOM 0 H LYS A 14 12.972 -10.667 4.865 1.00 0.35 H new ATOM 0 HA LYS A 14 14.795 -9.276 6.502 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.279 -8.641 3.927 1.00 0.39 H new ATOM 0 HB3 LYS A 14 14.430 -7.502 4.597 1.00 0.39 H new ATOM 0 HG2 LYS A 14 15.578 -8.952 2.973 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.197 -9.284 4.578 1.00 0.60 H new ATOM 0 HD2 LYS A 14 14.960 -11.323 4.773 1.00 0.86 H new ATOM 0 HD3 LYS A 14 13.844 -10.878 3.497 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.654 -11.022 1.817 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.827 -11.361 3.073 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 15.888 -13.348 1.862 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 15.812 -13.426 3.557 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 14.418 -13.056 2.661 1.00 1.41 H new ATOM 252 N ASN A 15 13.682 -7.440 7.691 1.00 0.43 N ATOM 253 CA ASN A 15 12.991 -6.414 8.515 1.00 0.33 C ATOM 254 C ASN A 15 12.783 -5.138 7.696 1.00 0.24 C ATOM 255 O ASN A 15 13.181 -5.044 6.553 1.00 0.24 O ATOM 256 CB ASN A 15 13.844 -6.095 9.742 1.00 0.47 C ATOM 257 CG ASN A 15 13.248 -6.783 10.970 1.00 0.56 C ATOM 258 OD1 ASN A 15 12.435 -6.211 11.669 1.00 1.23 O ATOM 259 ND2 ASN A 15 13.620 -8.000 11.266 1.00 1.25 N ATOM 0 H ASN A 15 14.654 -7.613 7.948 1.00 0.43 H new ATOM 0 HA ASN A 15 12.021 -6.799 8.828 1.00 0.33 H new ATOM 0 HB2 ASN A 15 14.868 -6.433 9.584 1.00 0.47 H new ATOM 0 HB3 ASN A 15 13.885 -5.017 9.900 1.00 0.47 H new ATOM 0 HD21 ASN A 15 13.228 -8.469 12.083 1.00 1.25 H new ATOM 0 HD22 ASN A 15 14.302 -8.481 10.680 1.00 1.25 H new ATOM 266 N VAL A 16 12.185 -4.145 8.293 1.00 0.24 N ATOM 267 CA VAL A 16 11.972 -2.858 7.576 1.00 0.22 C ATOM 268 C VAL A 16 13.323 -2.157 7.484 1.00 0.23 C ATOM 269 O VAL A 16 13.653 -1.490 6.515 1.00 0.25 O ATOM 270 CB VAL A 16 11.000 -1.983 8.374 1.00 0.29 C ATOM 271 CG1 VAL A 16 9.782 -2.811 8.799 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.706 -1.447 9.623 1.00 0.49 C ATOM 0 H VAL A 16 11.834 -4.170 9.250 1.00 0.24 H new ATOM 0 HA VAL A 16 11.556 -3.033 6.584 1.00 0.22 H new ATOM 0 HB VAL A 16 10.672 -1.152 7.750 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.095 -2.183 9.366 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.276 -3.195 7.913 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.108 -3.645 9.420 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.016 -0.824 10.192 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.035 -2.282 10.241 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.570 -0.853 9.326 1.00 0.49 H new ATOM 282 N GLU A 17 14.121 -2.344 8.487 1.00 0.27 N ATOM 283 CA GLU A 17 15.464 -1.734 8.488 1.00 0.33 C ATOM 284 C GLU A 17 16.331 -2.483 7.488 1.00 0.34 C ATOM 285 O GLU A 17 17.146 -1.904 6.803 1.00 0.37 O ATOM 286 CB GLU A 17 16.077 -1.842 9.882 1.00 0.39 C ATOM 287 CG GLU A 17 17.546 -1.438 9.816 1.00 0.86 C ATOM 288 CD GLU A 17 17.933 -0.690 11.095 1.00 1.03 C ATOM 289 OE1 GLU A 17 17.201 0.207 11.480 1.00 1.56 O ATOM 290 OE2 GLU A 17 18.958 -1.026 11.664 1.00 1.41 O ATOM 0 H GLU A 17 13.896 -2.899 9.313 1.00 0.27 H new ATOM 0 HA GLU A 17 15.398 -0.681 8.213 1.00 0.33 H new ATOM 0 HB2 GLU A 17 15.541 -1.198 10.579 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.984 -2.862 10.255 1.00 0.39 H new ATOM 0 HG2 GLU A 17 18.172 -2.323 9.697 1.00 0.86 H new ATOM 0 HG3 GLU A 17 17.720 -0.805 8.946 1.00 0.86 H new ATOM 297 N ASP A 18 16.171 -3.775 7.396 1.00 0.35 N ATOM 298 CA ASP A 18 16.993 -4.568 6.449 1.00 0.38 C ATOM 299 C ASP A 18 16.822 -4.077 5.017 1.00 0.35 C ATOM 300 O ASP A 18 17.752 -4.150 4.232 1.00 0.34 O ATOM 301 CB ASP A 18 16.548 -6.027 6.504 1.00 0.46 C ATOM 302 CG ASP A 18 17.711 -6.904 6.969 1.00 0.66 C ATOM 303 OD1 ASP A 18 18.584 -7.169 6.159 1.00 1.27 O ATOM 304 OD2 ASP A 18 17.708 -7.297 8.123 1.00 1.38 O ATOM 0 H ASP A 18 15.500 -4.316 7.942 1.00 0.35 H new ATOM 0 HA ASP A 18 18.038 -4.460 6.739 1.00 0.38 H new ATOM 0 HB2 ASP A 18 15.704 -6.134 7.185 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.207 -6.350 5.521 1.00 0.46 H new ATOM 309 N HIS A 19 15.676 -3.564 4.637 1.00 0.34 N ATOM 310 CA HIS A 19 15.523 -3.084 3.239 1.00 0.33 C ATOM 311 C HIS A 19 15.838 -1.594 3.198 1.00 0.28 C ATOM 312 O HIS A 19 16.160 -1.050 2.163 1.00 0.27 O ATOM 313 CB HIS A 19 14.088 -3.322 2.770 1.00 0.36 C ATOM 314 CG HIS A 19 13.946 -4.750 2.325 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.410 -5.194 1.094 1.00 1.22 N ATOM 316 CD2 HIS A 19 13.395 -5.850 2.936 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.132 -6.508 1.005 1.00 1.27 C ATOM 318 NE2 HIS A 19 13.515 -6.954 2.100 1.00 1.40 N ATOM 0 H HIS A 19 14.853 -3.460 5.230 1.00 0.34 H new ATOM 0 HA HIS A 19 16.204 -3.625 2.582 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.388 -3.109 3.578 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.844 -2.647 1.950 1.00 0.36 H new ATOM 0 HD1 HIS A 19 14.877 -4.627 0.386 1.00 1.22 H new ATOM 0 HD2 HIS A 19 12.939 -5.856 3.915 1.00 1.43 H new ATOM 0 HE1 HIS A 19 14.378 -7.124 0.153 1.00 1.27 H new ATOM 327 N VAL A 20 15.829 -0.941 4.329 1.00 0.26 N ATOM 328 CA VAL A 20 16.221 0.489 4.319 1.00 0.24 C ATOM 329 C VAL A 20 17.721 0.467 4.029 1.00 0.23 C ATOM 330 O VAL A 20 18.270 1.317 3.358 1.00 0.22 O ATOM 331 CB VAL A 20 15.899 1.140 5.681 1.00 0.25 C ATOM 332 CG1 VAL A 20 17.162 1.319 6.525 1.00 0.29 C ATOM 333 CG2 VAL A 20 15.270 2.510 5.450 1.00 0.29 C ATOM 0 H VAL A 20 15.573 -1.328 5.237 1.00 0.26 H new ATOM 0 HA VAL A 20 15.682 1.079 3.578 1.00 0.24 H new ATOM 0 HB VAL A 20 15.211 0.484 6.214 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.901 1.780 7.478 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.620 0.346 6.706 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.867 1.959 5.994 1.00 0.29 H new ATOM 0 HG21 VAL A 20 15.042 2.972 6.410 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.967 3.142 4.900 1.00 0.29 H new ATOM 0 HG23 VAL A 20 14.351 2.396 4.874 1.00 0.29 H new ATOM 343 N LEU A 21 18.361 -0.552 4.538 1.00 0.25 N ATOM 344 CA LEU A 21 19.822 -0.739 4.325 1.00 0.27 C ATOM 345 C LEU A 21 20.077 -1.120 2.866 1.00 0.27 C ATOM 346 O LEU A 21 20.894 -0.525 2.187 1.00 0.28 O ATOM 347 CB LEU A 21 20.328 -1.878 5.214 1.00 0.32 C ATOM 348 CG LEU A 21 20.344 -1.448 6.687 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.814 -2.618 7.553 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.299 -0.264 6.876 1.00 0.34 C ATOM 0 H LEU A 21 17.921 -1.277 5.104 1.00 0.25 H new ATOM 0 HA LEU A 21 20.340 0.188 4.571 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.689 -2.753 5.092 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.331 -2.170 4.904 1.00 0.32 H new ATOM 0 HG LEU A 21 19.338 -1.150 6.983 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.826 -2.314 8.600 1.00 0.41 H new ATOM 0 HD12 LEU A 21 20.133 -3.460 7.427 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.818 -2.915 7.250 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.305 0.035 7.924 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.305 -0.557 6.577 1.00 0.34 H new ATOM 0 HD23 LEU A 21 20.967 0.573 6.262 1.00 0.34 H new ATOM 362 N ASP A 22 19.387 -2.106 2.370 1.00 0.28 N ATOM 363 CA ASP A 22 19.605 -2.510 0.954 1.00 0.31 C ATOM 364 C ASP A 22 19.130 -1.386 0.028 1.00 0.29 C ATOM 365 O ASP A 22 19.649 -1.194 -1.054 1.00 0.31 O ATOM 366 CB ASP A 22 18.813 -3.785 0.658 1.00 0.36 C ATOM 367 CG ASP A 22 19.231 -4.341 -0.705 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.286 -4.949 -0.775 1.00 1.01 O ATOM 369 OD2 ASP A 22 18.490 -4.149 -1.655 1.00 1.22 O ATOM 0 H ASP A 22 18.687 -2.646 2.878 1.00 0.28 H new ATOM 0 HA ASP A 22 20.666 -2.697 0.787 1.00 0.31 H new ATOM 0 HB2 ASP A 22 18.994 -4.527 1.436 1.00 0.36 H new ATOM 0 HB3 ASP A 22 17.744 -3.571 0.663 1.00 0.36 H new ATOM 374 N VAL A 23 18.137 -0.648 0.445 1.00 0.27 N ATOM 375 CA VAL A 23 17.622 0.457 -0.412 1.00 0.27 C ATOM 376 C VAL A 23 18.648 1.593 -0.467 1.00 0.26 C ATOM 377 O VAL A 23 19.078 2.002 -1.531 1.00 0.26 O ATOM 378 CB VAL A 23 16.301 0.987 0.147 1.00 0.28 C ATOM 379 CG1 VAL A 23 15.926 2.262 -0.603 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.204 -0.062 -0.058 1.00 0.32 C ATOM 0 H VAL A 23 17.661 -0.762 1.340 1.00 0.27 H new ATOM 0 HA VAL A 23 17.454 0.072 -1.418 1.00 0.27 H new ATOM 0 HB VAL A 23 16.406 1.198 1.211 1.00 0.28 H new ATOM 0 HG11 VAL A 23 14.985 2.650 -0.213 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.710 3.007 -0.468 1.00 0.31 H new ATOM 0 HG13 VAL A 23 15.815 2.040 -1.664 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.262 0.314 0.340 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.092 -0.268 -1.122 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.477 -0.980 0.462 1.00 0.32 H new ATOM 390 N ILE A 24 19.056 2.105 0.664 1.00 0.25 N ATOM 391 CA ILE A 24 20.058 3.205 0.643 1.00 0.26 C ATOM 392 C ILE A 24 21.332 2.690 -0.020 1.00 0.26 C ATOM 393 O ILE A 24 22.147 3.455 -0.496 1.00 0.28 O ATOM 394 CB ILE A 24 20.354 3.688 2.068 1.00 0.30 C ATOM 395 CG1 ILE A 24 21.251 4.927 2.008 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.063 2.589 2.856 1.00 0.45 C ATOM 397 CD1 ILE A 24 21.298 5.589 3.387 1.00 0.58 C ATOM 0 H ILE A 24 18.742 1.812 1.589 1.00 0.25 H new ATOM 0 HA ILE A 24 19.664 4.050 0.078 1.00 0.26 H new ATOM 0 HB ILE A 24 19.415 3.935 2.563 1.00 0.30 H new ATOM 0 HG12 ILE A 24 22.256 4.647 1.693 1.00 0.57 H new ATOM 0 HG13 ILE A 24 20.869 5.630 1.268 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.269 2.941 3.867 1.00 0.45 H new ATOM 0 HG22 ILE A 24 20.426 1.706 2.902 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.001 2.334 2.362 1.00 0.45 H new ATOM 0 HD11 ILE A 24 21.937 6.471 3.345 1.00 0.58 H new ATOM 0 HD12 ILE A 24 20.291 5.883 3.684 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.700 4.885 4.115 1.00 0.58 H new ATOM 409 N VAL A 25 21.504 1.396 -0.077 1.00 0.26 N ATOM 410 CA VAL A 25 22.720 0.844 -0.735 1.00 0.29 C ATOM 411 C VAL A 25 22.583 1.008 -2.252 1.00 0.29 C ATOM 412 O VAL A 25 23.521 1.372 -2.932 1.00 0.31 O ATOM 413 CB VAL A 25 22.870 -0.638 -0.394 1.00 0.31 C ATOM 414 CG1 VAL A 25 23.750 -1.316 -1.446 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.521 -0.781 0.983 1.00 0.36 C ATOM 0 H VAL A 25 20.859 0.703 0.301 1.00 0.26 H new ATOM 0 HA VAL A 25 23.600 1.380 -0.381 1.00 0.29 H new ATOM 0 HB VAL A 25 21.887 -1.110 -0.382 1.00 0.31 H new ATOM 0 HG11 VAL A 25 23.858 -2.373 -1.204 1.00 0.41 H new ATOM 0 HG12 VAL A 25 23.288 -1.214 -2.428 1.00 0.41 H new ATOM 0 HG13 VAL A 25 24.733 -0.844 -1.457 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.628 -1.838 1.227 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.504 -0.310 0.972 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.895 -0.297 1.733 1.00 0.36 H new ATOM 425 N LEU A 26 21.428 0.730 -2.799 1.00 0.29 N ATOM 426 CA LEU A 26 21.235 0.860 -4.272 1.00 0.32 C ATOM 427 C LEU A 26 21.356 2.331 -4.692 1.00 0.32 C ATOM 428 O LEU A 26 21.867 2.651 -5.752 1.00 0.35 O ATOM 429 CB LEU A 26 19.837 0.338 -4.611 1.00 0.36 C ATOM 430 CG LEU A 26 19.906 -1.167 -4.872 1.00 0.65 C ATOM 431 CD1 LEU A 26 18.567 -1.810 -4.506 1.00 0.49 C ATOM 432 CD2 LEU A 26 20.207 -1.419 -6.351 1.00 1.19 C ATOM 0 H LEU A 26 20.605 0.416 -2.284 1.00 0.29 H new ATOM 0 HA LEU A 26 21.996 0.288 -4.803 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.151 0.545 -3.790 1.00 0.36 H new ATOM 0 HB3 LEU A 26 19.448 0.853 -5.489 1.00 0.36 H new ATOM 0 HG LEU A 26 20.698 -1.604 -4.263 1.00 0.65 H new ATOM 0 HD11 LEU A 26 18.616 -2.883 -4.692 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.355 -1.634 -3.451 1.00 0.49 H new ATOM 0 HD13 LEU A 26 17.775 -1.372 -5.114 1.00 0.49 H new ATOM 0 HD21 LEU A 26 20.256 -2.492 -6.535 1.00 1.19 H new ATOM 0 HD22 LEU A 26 19.418 -0.982 -6.963 1.00 1.19 H new ATOM 0 HD23 LEU A 26 21.162 -0.963 -6.611 1.00 1.19 H new ATOM 444 N PHE A 27 20.912 3.229 -3.862 1.00 0.31 N ATOM 445 CA PHE A 27 21.033 4.674 -4.208 1.00 0.33 C ATOM 446 C PHE A 27 22.521 5.002 -4.274 1.00 0.34 C ATOM 447 O PHE A 27 22.958 5.903 -4.961 1.00 0.37 O ATOM 448 CB PHE A 27 20.359 5.521 -3.131 1.00 0.35 C ATOM 449 CG PHE A 27 20.978 6.897 -3.109 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.653 7.826 -4.103 1.00 1.38 C ATOM 451 CD2 PHE A 27 21.877 7.244 -2.093 1.00 1.19 C ATOM 452 CE1 PHE A 27 21.226 9.103 -4.084 1.00 1.46 C ATOM 453 CE2 PHE A 27 22.451 8.521 -2.073 1.00 1.22 C ATOM 454 CZ PHE A 27 22.125 9.451 -3.068 1.00 0.71 C ATOM 0 H PHE A 27 20.473 3.029 -2.963 1.00 0.31 H new ATOM 0 HA PHE A 27 20.550 4.887 -5.162 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.290 5.595 -3.329 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.471 5.045 -2.157 1.00 0.35 H new ATOM 0 HD1 PHE A 27 19.959 7.558 -4.886 1.00 1.38 H new ATOM 0 HD2 PHE A 27 22.128 6.527 -1.325 1.00 1.19 H new ATOM 0 HE1 PHE A 27 20.975 9.819 -4.852 1.00 1.46 H new ATOM 0 HE2 PHE A 27 23.145 8.789 -1.290 1.00 1.22 H new ATOM 0 HZ PHE A 27 22.567 10.436 -3.052 1.00 0.71 H new ATOM 464 N ASN A 28 23.289 4.244 -3.552 1.00 0.33 N ATOM 465 CA ASN A 28 24.762 4.453 -3.538 1.00 0.36 C ATOM 466 C ASN A 28 25.328 4.226 -4.944 1.00 0.38 C ATOM 467 O ASN A 28 26.353 4.773 -5.299 1.00 0.41 O ATOM 468 CB ASN A 28 25.408 3.471 -2.563 1.00 0.35 C ATOM 469 CG ASN A 28 26.513 4.181 -1.780 1.00 0.39 C ATOM 470 OD1 ASN A 28 27.683 3.964 -2.026 1.00 1.15 O ATOM 471 ND2 ASN A 28 26.191 5.025 -0.839 1.00 0.98 N ATOM 0 H ASN A 28 22.958 3.479 -2.964 1.00 0.33 H new ATOM 0 HA ASN A 28 24.979 5.473 -3.222 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.658 3.076 -1.877 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.821 2.621 -3.107 1.00 0.35 H new ATOM 0 HD21 ASN A 28 26.921 5.502 -0.310 1.00 0.98 H new ATOM 0 HD22 ASN A 28 25.209 5.208 -0.632 1.00 0.98 H new ATOM 478 N GLN A 29 24.681 3.420 -5.750 1.00 0.38 N ATOM 479 CA GLN A 29 25.207 3.169 -7.117 1.00 0.40 C ATOM 480 C GLN A 29 24.616 4.193 -8.084 1.00 0.43 C ATOM 481 O GLN A 29 24.876 4.164 -9.270 1.00 0.51 O ATOM 482 CB GLN A 29 24.817 1.757 -7.558 1.00 0.40 C ATOM 483 CG GLN A 29 25.200 0.758 -6.465 1.00 0.38 C ATOM 484 CD GLN A 29 24.786 -0.651 -6.890 1.00 0.40 C ATOM 485 OE1 GLN A 29 23.860 -0.799 -7.798 1.00 1.17 O flip ATOM 486 NE2 GLN A 29 25.310 -1.628 -6.392 1.00 1.10 N flip ATOM 0 H GLN A 29 23.817 2.930 -5.518 1.00 0.38 H new ATOM 0 HA GLN A 29 26.293 3.260 -7.115 1.00 0.40 H new ATOM 0 HB2 GLN A 29 23.745 1.708 -7.751 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.321 1.503 -8.490 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.275 0.794 -6.286 1.00 0.38 H new ATOM 0 HG3 GLN A 29 24.712 1.024 -5.528 1.00 0.38 H new ATOM 0 HE21 GLN A 29 26.034 -1.513 -5.682 1.00 1.10 H new ATOM 0 HE22 GLN A 29 25.026 -2.563 -6.684 1.00 1.10 H new ATOM 495 N GLY A 30 23.819 5.096 -7.579 1.00 0.39 N ATOM 496 CA GLY A 30 23.198 6.128 -8.457 1.00 0.42 C ATOM 497 C GLY A 30 21.749 5.739 -8.742 1.00 0.37 C ATOM 498 O GLY A 30 21.114 6.280 -9.625 1.00 0.39 O ATOM 0 H GLY A 30 23.571 5.163 -6.592 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.237 7.104 -7.974 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.755 6.212 -9.390 1.00 0.42 H new ATOM 502 N ILE A 31 21.219 4.802 -8.003 1.00 0.33 N ATOM 503 CA ILE A 31 19.812 4.384 -8.241 1.00 0.31 C ATOM 504 C ILE A 31 18.896 5.464 -7.671 1.00 0.28 C ATOM 505 O ILE A 31 18.798 5.634 -6.472 1.00 0.30 O ATOM 506 CB ILE A 31 19.567 3.037 -7.558 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.605 2.014 -8.072 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.145 2.548 -7.847 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.251 1.496 -9.474 1.00 0.35 C ATOM 0 H ILE A 31 21.699 4.311 -7.249 1.00 0.33 H new ATOM 0 HA ILE A 31 19.610 4.266 -9.306 1.00 0.31 H new ATOM 0 HB ILE A 31 19.675 3.150 -6.479 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.591 2.477 -8.094 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.662 1.175 -7.379 1.00 0.35 H new ATOM 0 HG21 ILE A 31 17.983 1.589 -7.355 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.426 3.275 -7.469 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.012 2.432 -8.923 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.006 0.779 -9.798 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.276 1.009 -9.447 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.220 2.331 -10.173 1.00 0.35 H new ATOM 521 N ASP A 32 18.233 6.212 -8.521 1.00 0.26 N ATOM 522 CA ASP A 32 17.345 7.294 -8.029 1.00 0.27 C ATOM 523 C ASP A 32 15.891 6.843 -8.036 1.00 0.28 C ATOM 524 O ASP A 32 15.010 7.633 -7.779 1.00 0.45 O ATOM 525 CB ASP A 32 17.494 8.519 -8.931 1.00 0.30 C ATOM 526 CG ASP A 32 18.933 9.030 -8.868 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.377 9.362 -7.781 1.00 1.55 O ATOM 528 OD2 ASP A 32 19.569 9.080 -9.909 1.00 1.22 O ATOM 0 H ASP A 32 18.274 6.114 -9.535 1.00 0.26 H new ATOM 0 HA ASP A 32 17.631 7.541 -7.007 1.00 0.27 H new ATOM 0 HB2 ASP A 32 17.234 8.261 -9.958 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.805 9.302 -8.615 1.00 0.30 H new ATOM 533 N GLU A 33 15.614 5.596 -8.323 1.00 0.26 N ATOM 534 CA GLU A 33 14.202 5.143 -8.336 1.00 0.27 C ATOM 535 C GLU A 33 14.143 3.698 -7.866 1.00 0.23 C ATOM 536 O GLU A 33 15.053 2.923 -8.087 1.00 0.23 O ATOM 537 CB GLU A 33 13.622 5.233 -9.751 1.00 0.29 C ATOM 538 CG GLU A 33 14.274 6.392 -10.503 1.00 0.48 C ATOM 539 CD GLU A 33 13.591 6.574 -11.860 1.00 0.71 C ATOM 540 OE1 GLU A 33 13.153 5.581 -12.418 1.00 1.58 O ATOM 541 OE2 GLU A 33 13.518 7.701 -12.317 1.00 1.15 O ATOM 0 H GLU A 33 16.305 4.880 -8.547 1.00 0.26 H new ATOM 0 HA GLU A 33 13.618 5.783 -7.674 1.00 0.27 H new ATOM 0 HB2 GLU A 33 13.794 4.298 -10.285 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.543 5.379 -9.703 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.194 7.309 -9.919 1.00 0.48 H new ATOM 0 HG3 GLU A 33 15.337 6.195 -10.643 1.00 0.48 H new ATOM 548 N VAL A 34 13.090 3.333 -7.203 1.00 0.21 N ATOM 549 CA VAL A 34 13.006 1.940 -6.709 1.00 0.20 C ATOM 550 C VAL A 34 11.550 1.515 -6.511 1.00 0.19 C ATOM 551 O VAL A 34 10.705 2.289 -6.085 1.00 0.20 O ATOM 552 CB VAL A 34 13.791 1.824 -5.395 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.078 2.586 -4.284 1.00 0.54 C ATOM 554 CG2 VAL A 34 13.941 0.352 -4.997 1.00 0.43 C ATOM 0 H VAL A 34 12.293 3.930 -6.984 1.00 0.21 H new ATOM 0 HA VAL A 34 13.443 1.271 -7.451 1.00 0.20 H new ATOM 0 HB VAL A 34 14.780 2.256 -5.544 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.646 2.495 -3.358 1.00 0.54 H new ATOM 0 HG12 VAL A 34 12.997 3.638 -4.558 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.081 2.171 -4.140 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.499 0.283 -4.064 1.00 0.43 H new ATOM 0 HG22 VAL A 34 12.954 -0.091 -4.863 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.476 -0.184 -5.781 1.00 0.43 H new ATOM 564 N ILE A 35 11.272 0.278 -6.836 1.00 0.19 N ATOM 565 CA ILE A 35 9.894 -0.268 -6.690 1.00 0.19 C ATOM 566 C ILE A 35 9.895 -1.358 -5.632 1.00 0.19 C ATOM 567 O ILE A 35 10.584 -2.346 -5.763 1.00 0.20 O ATOM 568 CB ILE A 35 9.444 -0.834 -8.030 1.00 0.19 C ATOM 569 CG1 ILE A 35 9.980 0.088 -9.128 1.00 0.22 C ATOM 570 CG2 ILE A 35 7.913 -0.900 -8.076 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.043 0.067 -10.342 1.00 0.25 C ATOM 0 H ILE A 35 11.955 -0.385 -7.202 1.00 0.19 H new ATOM 0 HA ILE A 35 9.207 0.520 -6.383 1.00 0.19 H new ATOM 0 HB ILE A 35 9.827 -1.844 -8.174 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.070 1.105 -8.747 1.00 0.22 H new ATOM 0 HG13 ILE A 35 10.979 -0.231 -9.425 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.595 -1.306 -9.036 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.552 -1.543 -7.273 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.502 0.102 -7.951 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.435 0.727 -11.116 1.00 0.25 H new ATOM 0 HD12 ILE A 35 8.975 -0.949 -10.731 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.052 0.408 -10.043 1.00 0.25 H new ATOM 583 N LEU A 36 9.118 -1.188 -4.590 1.00 0.21 N ATOM 584 CA LEU A 36 9.063 -2.228 -3.525 1.00 0.23 C ATOM 585 C LEU A 36 7.763 -3.009 -3.634 1.00 0.23 C ATOM 586 O LEU A 36 6.685 -2.455 -3.536 1.00 0.24 O ATOM 587 CB LEU A 36 9.164 -1.591 -2.138 1.00 0.24 C ATOM 588 CG LEU A 36 10.604 -1.735 -1.612 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.523 -0.765 -2.356 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.631 -1.420 -0.121 1.00 0.30 C ATOM 0 H LEU A 36 8.522 -0.375 -4.434 1.00 0.21 H new ATOM 0 HA LEU A 36 9.908 -2.903 -3.660 1.00 0.23 H new ATOM 0 HB2 LEU A 36 8.887 -0.538 -2.188 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.465 -2.072 -1.453 1.00 0.24 H new ATOM 0 HG LEU A 36 10.950 -2.756 -1.776 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.541 -0.869 -1.982 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.503 -0.991 -3.422 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.180 0.257 -2.195 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.649 -1.521 0.254 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.284 -0.400 0.042 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.979 -2.114 0.409 1.00 0.30 H new ATOM 602 N LYS A 37 7.862 -4.299 -3.812 1.00 0.23 N ATOM 603 CA LYS A 37 6.636 -5.137 -3.900 1.00 0.23 C ATOM 604 C LYS A 37 6.510 -5.971 -2.615 1.00 0.18 C ATOM 605 O LYS A 37 7.464 -6.565 -2.152 1.00 0.19 O ATOM 606 CB LYS A 37 6.720 -6.045 -5.129 1.00 0.31 C ATOM 607 CG LYS A 37 7.745 -5.493 -6.128 1.00 1.23 C ATOM 608 CD LYS A 37 7.495 -6.108 -7.507 1.00 1.52 C ATOM 609 CE LYS A 37 8.670 -5.785 -8.433 1.00 2.39 C ATOM 610 NZ LYS A 37 8.210 -5.821 -9.850 1.00 2.74 N ATOM 0 H LYS A 37 8.742 -4.808 -3.900 1.00 0.23 H new ATOM 0 HA LYS A 37 5.755 -4.504 -4.002 1.00 0.23 H new ATOM 0 HB2 LYS A 37 7.003 -7.053 -4.826 1.00 0.31 H new ATOM 0 HB3 LYS A 37 5.742 -6.118 -5.604 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.667 -4.407 -6.183 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.756 -5.724 -5.793 1.00 1.23 H new ATOM 0 HD2 LYS A 37 7.375 -7.188 -7.419 1.00 1.52 H new ATOM 0 HD3 LYS A 37 6.569 -5.717 -7.928 1.00 1.52 H new ATOM 0 HE2 LYS A 37 9.074 -4.801 -8.196 1.00 2.39 H new ATOM 0 HE3 LYS A 37 9.474 -6.505 -8.282 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 9.008 -5.602 -10.480 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.844 -6.769 -10.072 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 7.456 -5.118 -9.988 1.00 2.74 H new ATOM 624 N GLY A 38 5.336 -6.002 -2.028 1.00 0.18 N ATOM 625 CA GLY A 38 5.154 -6.786 -0.759 1.00 0.21 C ATOM 626 C GLY A 38 3.762 -7.439 -0.693 1.00 0.18 C ATOM 627 O GLY A 38 2.837 -7.016 -1.350 1.00 0.19 O ATOM 0 H GLY A 38 4.502 -5.524 -2.367 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.922 -7.557 -0.693 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.289 -6.128 0.099 1.00 0.21 H new ATOM 631 N THR A 39 3.628 -8.492 0.092 1.00 0.20 N ATOM 632 CA THR A 39 2.311 -9.205 0.191 1.00 0.25 C ATOM 633 C THR A 39 1.954 -9.598 1.627 1.00 0.23 C ATOM 634 O THR A 39 2.796 -9.943 2.425 1.00 0.22 O ATOM 635 CB THR A 39 2.372 -10.477 -0.646 1.00 0.28 C ATOM 636 OG1 THR A 39 3.607 -11.141 -0.411 1.00 0.43 O ATOM 637 CG2 THR A 39 2.264 -10.103 -2.112 1.00 0.56 C ATOM 0 H THR A 39 4.374 -8.885 0.666 1.00 0.20 H new ATOM 0 HA THR A 39 1.547 -8.517 -0.169 1.00 0.25 H new ATOM 0 HB THR A 39 1.552 -11.142 -0.373 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.792 -11.758 -1.150 1.00 0.43 H new ATOM 0 HG21 THR A 39 2.306 -11.005 -2.722 1.00 0.56 H new ATOM 0 HG22 THR A 39 1.318 -9.590 -2.288 1.00 0.56 H new ATOM 0 HG23 THR A 39 3.090 -9.444 -2.381 1.00 0.56 H new ATOM 645 N GLY A 40 0.678 -9.548 1.928 1.00 0.27 N ATOM 646 CA GLY A 40 0.175 -9.921 3.286 1.00 0.30 C ATOM 647 C GLY A 40 1.137 -9.438 4.369 1.00 0.29 C ATOM 648 O GLY A 40 0.974 -8.377 4.927 1.00 0.33 O ATOM 0 H GLY A 40 -0.050 -9.258 1.275 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.811 -9.484 3.447 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.059 -11.003 3.352 1.00 0.30 H new ATOM 652 N ARG A 41 2.118 -10.227 4.691 1.00 0.27 N ATOM 653 CA ARG A 41 3.082 -9.831 5.755 1.00 0.28 C ATOM 654 C ARG A 41 4.118 -8.860 5.182 1.00 0.24 C ATOM 655 O ARG A 41 4.341 -7.793 5.720 1.00 0.25 O ATOM 656 CB ARG A 41 3.782 -11.079 6.304 1.00 0.31 C ATOM 657 CG ARG A 41 3.859 -12.156 5.212 1.00 0.64 C ATOM 658 CD ARG A 41 2.596 -13.031 5.226 1.00 0.92 C ATOM 659 NE ARG A 41 1.453 -12.284 5.822 1.00 1.69 N ATOM 660 CZ ARG A 41 0.303 -12.878 5.987 1.00 2.12 C ATOM 661 NH1 ARG A 41 0.158 -14.127 5.635 1.00 2.03 N ATOM 662 NH2 ARG A 41 -0.702 -12.225 6.505 1.00 3.09 N ATOM 0 H ARG A 41 2.297 -11.135 4.262 1.00 0.27 H new ATOM 0 HA ARG A 41 2.544 -9.337 6.564 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.785 -10.823 6.647 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.238 -11.462 7.167 1.00 0.31 H new ATOM 0 HG2 ARG A 41 3.971 -11.684 4.236 1.00 0.64 H new ATOM 0 HG3 ARG A 41 4.741 -12.778 5.368 1.00 0.64 H new ATOM 0 HD2 ARG A 41 2.348 -13.338 4.210 1.00 0.92 H new ATOM 0 HD3 ARG A 41 2.782 -13.940 5.798 1.00 0.92 H new ATOM 0 HE ARG A 41 1.569 -11.310 6.101 1.00 1.69 H new ATOM 0 HH11 ARG A 41 0.943 -14.638 5.231 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -0.741 -14.592 5.764 1.00 2.03 H new ATOM 0 HH21 ARG A 41 -0.589 -11.250 6.781 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -1.601 -12.690 6.634 1.00 3.09 H new ATOM 676 N GLU A 42 4.760 -9.213 4.103 1.00 0.21 N ATOM 677 CA GLU A 42 5.784 -8.303 3.517 1.00 0.18 C ATOM 678 C GLU A 42 5.109 -7.004 3.081 1.00 0.17 C ATOM 679 O GLU A 42 5.752 -5.988 2.897 1.00 0.18 O ATOM 680 CB GLU A 42 6.433 -8.950 2.286 1.00 0.16 C ATOM 681 CG GLU A 42 6.052 -10.431 2.178 1.00 0.20 C ATOM 682 CD GLU A 42 6.785 -11.060 0.991 1.00 0.22 C ATOM 683 OE1 GLU A 42 6.762 -10.468 -0.075 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.356 -12.123 1.170 1.00 1.09 O ATOM 0 H GLU A 42 4.620 -10.091 3.602 1.00 0.21 H new ATOM 0 HA GLU A 42 6.549 -8.106 4.269 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.118 -8.423 1.385 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.517 -8.853 2.349 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.313 -10.953 3.099 1.00 0.20 H new ATOM 0 HG3 GLU A 42 4.974 -10.532 2.049 1.00 0.20 H new ATOM 691 N ILE A 43 3.821 -7.026 2.904 1.00 0.19 N ATOM 692 CA ILE A 43 3.102 -5.799 2.470 1.00 0.20 C ATOM 693 C ILE A 43 3.391 -4.619 3.418 1.00 0.22 C ATOM 694 O ILE A 43 3.460 -3.483 2.995 1.00 0.24 O ATOM 695 CB ILE A 43 1.598 -6.103 2.477 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.882 -5.205 1.481 1.00 0.40 C ATOM 697 CG2 ILE A 43 1.028 -5.843 3.867 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.606 -5.556 1.447 1.00 0.87 C ATOM 0 H ILE A 43 3.231 -7.846 3.042 1.00 0.19 H new ATOM 0 HA ILE A 43 3.440 -5.517 1.473 1.00 0.20 H new ATOM 0 HB ILE A 43 1.451 -7.148 2.203 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.013 -4.159 1.760 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.317 -5.327 0.489 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.040 -6.060 3.869 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.530 -6.484 4.592 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.187 -4.799 4.136 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -1.116 -4.910 0.732 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.728 -6.597 1.147 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -1.037 -5.411 2.438 1.00 0.87 H new ATOM 710 N SER A 44 3.537 -4.872 4.692 1.00 0.24 N ATOM 711 CA SER A 44 3.792 -3.762 5.653 1.00 0.27 C ATOM 712 C SER A 44 5.275 -3.443 5.652 1.00 0.26 C ATOM 713 O SER A 44 5.686 -2.342 5.957 1.00 0.27 O ATOM 714 CB SER A 44 3.353 -4.196 7.052 1.00 0.31 C ATOM 715 OG SER A 44 2.882 -5.536 7.000 1.00 1.14 O ATOM 0 H SER A 44 3.490 -5.802 5.108 1.00 0.24 H new ATOM 0 HA SER A 44 3.229 -2.875 5.361 1.00 0.27 H new ATOM 0 HB2 SER A 44 4.188 -4.118 7.748 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.568 -3.536 7.421 1.00 0.31 H new ATOM 0 HG SER A 44 2.601 -5.819 7.895 1.00 1.14 H new ATOM 721 N LYS A 45 6.081 -4.379 5.251 1.00 0.25 N ATOM 722 CA LYS A 45 7.523 -4.072 5.172 1.00 0.25 C ATOM 723 C LYS A 45 7.638 -2.977 4.117 1.00 0.23 C ATOM 724 O LYS A 45 7.945 -1.843 4.425 1.00 0.25 O ATOM 725 CB LYS A 45 8.325 -5.314 4.774 1.00 0.24 C ATOM 726 CG LYS A 45 8.583 -6.176 6.012 1.00 0.42 C ATOM 727 CD LYS A 45 7.273 -6.397 6.773 1.00 0.90 C ATOM 728 CE LYS A 45 7.434 -7.575 7.734 1.00 0.82 C ATOM 729 NZ LYS A 45 6.764 -7.255 9.026 1.00 1.86 N ATOM 0 H LYS A 45 5.809 -5.324 4.980 1.00 0.25 H new ATOM 0 HA LYS A 45 7.926 -3.750 6.132 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.778 -5.888 4.026 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.271 -5.019 4.320 1.00 0.24 H new ATOM 0 HG2 LYS A 45 9.009 -7.135 5.716 1.00 0.42 H new ATOM 0 HG3 LYS A 45 9.313 -5.690 6.659 1.00 0.42 H new ATOM 0 HD2 LYS A 45 7.005 -5.497 7.326 1.00 0.90 H new ATOM 0 HD3 LYS A 45 6.462 -6.594 6.072 1.00 0.90 H new ATOM 0 HE2 LYS A 45 6.999 -8.475 7.299 1.00 0.82 H new ATOM 0 HE3 LYS A 45 8.491 -7.780 7.901 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 6.873 -8.055 9.681 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 7.198 -6.406 9.441 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 5.753 -7.080 8.858 1.00 1.86 H new ATOM 743 N ALA A 46 7.392 -3.328 2.878 1.00 0.22 N ATOM 744 CA ALA A 46 7.469 -2.330 1.759 1.00 0.23 C ATOM 745 C ALA A 46 7.008 -0.949 2.258 1.00 0.22 C ATOM 746 O ALA A 46 7.550 0.074 1.886 1.00 0.29 O ATOM 747 CB ALA A 46 6.578 -2.791 0.601 1.00 0.25 C ATOM 0 H ALA A 46 7.138 -4.273 2.589 1.00 0.22 H new ATOM 0 HA ALA A 46 8.500 -2.254 1.412 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.634 -2.067 -0.212 1.00 0.25 H new ATOM 0 HB2 ALA A 46 6.919 -3.763 0.245 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.547 -2.872 0.945 1.00 0.25 H new ATOM 753 N VAL A 47 6.007 -0.919 3.096 1.00 0.17 N ATOM 754 CA VAL A 47 5.505 0.385 3.637 1.00 0.17 C ATOM 755 C VAL A 47 6.495 0.925 4.673 1.00 0.17 C ATOM 756 O VAL A 47 7.196 1.890 4.439 1.00 0.16 O ATOM 757 CB VAL A 47 4.141 0.164 4.317 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.628 1.466 4.967 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.134 -0.316 3.271 1.00 0.20 C ATOM 0 H VAL A 47 5.511 -1.744 3.433 1.00 0.17 H new ATOM 0 HA VAL A 47 5.402 1.099 2.820 1.00 0.17 H new ATOM 0 HB VAL A 47 4.258 -0.585 5.100 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.663 1.281 5.440 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.342 1.803 5.719 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.516 2.235 4.202 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.165 -0.475 3.745 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.036 0.436 2.488 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.482 -1.252 2.834 1.00 0.20 H new ATOM 769 N ASP A 48 6.525 0.315 5.823 1.00 0.20 N ATOM 770 CA ASP A 48 7.431 0.775 6.916 1.00 0.23 C ATOM 771 C ASP A 48 8.798 1.180 6.364 1.00 0.24 C ATOM 772 O ASP A 48 9.286 2.263 6.617 1.00 0.26 O ATOM 773 CB ASP A 48 7.624 -0.364 7.915 1.00 0.26 C ATOM 774 CG ASP A 48 8.084 0.203 9.258 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.133 0.827 9.288 1.00 1.11 O ATOM 776 OD2 ASP A 48 7.379 0.007 10.235 1.00 1.26 O ATOM 0 H ASP A 48 5.952 -0.496 6.058 1.00 0.20 H new ATOM 0 HA ASP A 48 6.977 1.641 7.398 1.00 0.23 H new ATOM 0 HB2 ASP A 48 6.690 -0.912 8.041 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.361 -1.072 7.536 1.00 0.26 H new ATOM 781 N VAL A 49 9.422 0.315 5.624 1.00 0.26 N ATOM 782 CA VAL A 49 10.761 0.650 5.073 1.00 0.30 C ATOM 783 C VAL A 49 10.673 1.952 4.274 1.00 0.29 C ATOM 784 O VAL A 49 11.482 2.842 4.446 1.00 0.29 O ATOM 785 CB VAL A 49 11.252 -0.491 4.187 1.00 0.37 C ATOM 786 CG1 VAL A 49 10.350 -0.620 2.972 1.00 1.06 C ATOM 787 CG2 VAL A 49 12.690 -0.227 3.733 1.00 0.95 C ATOM 0 H VAL A 49 9.066 -0.608 5.376 1.00 0.26 H new ATOM 0 HA VAL A 49 11.471 0.786 5.889 1.00 0.30 H new ATOM 0 HB VAL A 49 11.226 -1.418 4.760 1.00 0.37 H new ATOM 0 HG11 VAL A 49 10.704 -1.436 2.341 1.00 1.06 H new ATOM 0 HG12 VAL A 49 9.330 -0.828 3.296 1.00 1.06 H new ATOM 0 HG13 VAL A 49 10.368 0.311 2.405 1.00 1.06 H new ATOM 0 HG21 VAL A 49 13.029 -1.048 3.102 1.00 0.95 H new ATOM 0 HG22 VAL A 49 12.728 0.705 3.168 1.00 0.95 H new ATOM 0 HG23 VAL A 49 13.339 -0.149 4.606 1.00 0.95 H new ATOM 797 N TYR A 50 9.704 2.090 3.407 1.00 0.31 N ATOM 798 CA TYR A 50 9.590 3.347 2.619 1.00 0.34 C ATOM 799 C TYR A 50 9.376 4.520 3.570 1.00 0.30 C ATOM 800 O TYR A 50 10.110 5.486 3.555 1.00 0.30 O ATOM 801 CB TYR A 50 8.398 3.239 1.673 1.00 0.40 C ATOM 802 CG TYR A 50 7.622 4.535 1.671 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.004 5.583 0.825 1.00 1.88 C ATOM 804 CD2 TYR A 50 6.516 4.687 2.515 1.00 2.13 C ATOM 805 CE1 TYR A 50 7.281 6.782 0.824 1.00 2.70 C ATOM 806 CE2 TYR A 50 5.795 5.885 2.514 1.00 2.97 C ATOM 807 CZ TYR A 50 6.177 6.933 1.669 1.00 3.06 C ATOM 808 OH TYR A 50 5.463 8.114 1.670 1.00 4.02 O ATOM 0 H TYR A 50 8.990 1.388 3.213 1.00 0.31 H new ATOM 0 HA TYR A 50 10.502 3.505 2.044 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.743 3.010 0.665 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.751 2.418 1.982 1.00 0.40 H new ATOM 0 HD1 TYR A 50 8.857 5.467 0.173 1.00 1.88 H new ATOM 0 HD2 TYR A 50 6.219 3.879 3.167 1.00 2.13 H new ATOM 0 HE1 TYR A 50 7.576 7.590 0.171 1.00 2.70 H new ATOM 0 HE2 TYR A 50 4.942 6.002 3.166 1.00 2.97 H new ATOM 0 HH TYR A 50 4.727 8.051 2.314 1.00 4.02 H new ATOM 818 N ASN A 51 8.375 4.441 4.404 1.00 0.30 N ATOM 819 CA ASN A 51 8.125 5.551 5.359 1.00 0.30 C ATOM 820 C ASN A 51 9.392 5.757 6.161 1.00 0.29 C ATOM 821 O ASN A 51 9.883 6.857 6.321 1.00 0.29 O ATOM 822 CB ASN A 51 6.981 5.172 6.298 1.00 0.32 C ATOM 823 CG ASN A 51 6.679 6.347 7.231 1.00 0.61 C ATOM 824 OD1 ASN A 51 7.210 6.424 8.320 1.00 1.34 O ATOM 825 ND2 ASN A 51 5.845 7.274 6.846 1.00 1.28 N ATOM 0 H ASN A 51 7.724 3.658 4.463 1.00 0.30 H new ATOM 0 HA ASN A 51 7.853 6.463 4.827 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.093 4.914 5.721 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.250 4.291 6.880 1.00 0.32 H new ATOM 0 HD21 ASN A 51 5.640 8.062 7.460 1.00 1.28 H new ATOM 0 HD22 ASN A 51 5.398 7.210 5.931 1.00 1.28 H new ATOM 832 N SER A 52 9.925 4.688 6.665 1.00 0.30 N ATOM 833 CA SER A 52 11.168 4.791 7.460 1.00 0.30 C ATOM 834 C SER A 52 12.255 5.373 6.559 1.00 0.29 C ATOM 835 O SER A 52 13.115 6.112 6.998 1.00 0.28 O ATOM 836 CB SER A 52 11.596 3.411 7.950 1.00 0.33 C ATOM 837 OG SER A 52 10.492 2.771 8.577 1.00 1.04 O ATOM 0 H SER A 52 9.552 3.745 6.560 1.00 0.30 H new ATOM 0 HA SER A 52 11.004 5.430 8.328 1.00 0.30 H new ATOM 0 HB2 SER A 52 11.952 2.810 7.113 1.00 0.33 H new ATOM 0 HB3 SER A 52 12.425 3.503 8.652 1.00 0.33 H new ATOM 0 HG SER A 52 9.901 2.394 7.893 1.00 1.04 H new ATOM 843 N LEU A 53 12.202 5.068 5.286 1.00 0.28 N ATOM 844 CA LEU A 53 13.200 5.621 4.338 1.00 0.28 C ATOM 845 C LEU A 53 12.765 7.038 3.984 1.00 0.26 C ATOM 846 O LEU A 53 13.558 7.879 3.618 1.00 0.26 O ATOM 847 CB LEU A 53 13.212 4.768 3.064 1.00 0.28 C ATOM 848 CG LEU A 53 14.335 5.221 2.125 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.661 4.565 2.516 1.00 0.44 C ATOM 850 CD2 LEU A 53 13.969 4.814 0.703 1.00 0.40 C ATOM 0 H LEU A 53 11.503 4.455 4.866 1.00 0.28 H new ATOM 0 HA LEU A 53 14.195 5.620 4.782 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.348 3.718 3.324 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.251 4.849 2.556 1.00 0.28 H new ATOM 0 HG LEU A 53 14.451 6.302 2.196 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.446 4.899 1.838 1.00 0.44 H new ATOM 0 HD12 LEU A 53 15.919 4.847 3.537 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.563 3.481 2.452 1.00 0.44 H new ATOM 0 HD21 LEU A 53 14.758 5.129 0.020 1.00 0.40 H new ATOM 0 HD22 LEU A 53 13.856 3.731 0.652 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.031 5.291 0.418 1.00 0.40 H new ATOM 862 N LYS A 54 11.520 7.349 4.171 1.00 0.26 N ATOM 863 CA LYS A 54 11.073 8.731 3.902 1.00 0.27 C ATOM 864 C LYS A 54 11.450 9.534 5.126 1.00 0.29 C ATOM 865 O LYS A 54 12.040 10.597 5.054 1.00 0.28 O ATOM 866 CB LYS A 54 9.553 8.723 3.737 1.00 0.30 C ATOM 867 CG LYS A 54 9.069 10.019 3.064 1.00 0.55 C ATOM 868 CD LYS A 54 8.972 11.160 4.085 1.00 0.27 C ATOM 869 CE LYS A 54 8.209 12.331 3.465 1.00 0.36 C ATOM 870 NZ LYS A 54 6.863 12.435 4.098 1.00 1.00 N ATOM 0 H LYS A 54 10.797 6.708 4.497 1.00 0.26 H new ATOM 0 HA LYS A 54 11.523 9.148 3.001 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.252 7.863 3.138 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.078 8.615 4.712 1.00 0.30 H new ATOM 0 HG2 LYS A 54 9.756 10.298 2.265 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.095 9.853 2.604 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.463 10.815 4.985 1.00 0.27 H new ATOM 0 HD3 LYS A 54 9.970 11.480 4.386 1.00 0.27 H new ATOM 0 HE2 LYS A 54 8.764 13.258 3.609 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.107 12.185 2.390 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.342 13.231 3.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.335 11.553 3.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 6.971 12.593 5.120 1.00 1.00 H new ATOM 884 N ASP A 55 11.141 8.982 6.256 1.00 0.34 N ATOM 885 CA ASP A 55 11.483 9.629 7.533 1.00 0.38 C ATOM 886 C ASP A 55 12.992 9.838 7.559 1.00 0.40 C ATOM 887 O ASP A 55 13.532 10.461 8.450 1.00 0.47 O ATOM 888 CB ASP A 55 11.060 8.702 8.671 1.00 0.43 C ATOM 889 CG ASP A 55 11.724 9.144 9.975 1.00 0.85 C ATOM 890 OD1 ASP A 55 11.530 10.286 10.355 1.00 1.58 O ATOM 891 OD2 ASP A 55 12.412 8.333 10.572 1.00 1.48 O ATOM 0 H ASP A 55 10.655 8.090 6.346 1.00 0.34 H new ATOM 0 HA ASP A 55 10.976 10.587 7.644 1.00 0.38 H new ATOM 0 HB2 ASP A 55 9.976 8.718 8.781 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.342 7.675 8.439 1.00 0.43 H new ATOM 896 N ARG A 56 13.682 9.316 6.575 1.00 0.36 N ATOM 897 CA ARG A 56 15.152 9.484 6.538 1.00 0.40 C ATOM 898 C ARG A 56 15.483 10.936 6.233 1.00 0.40 C ATOM 899 O ARG A 56 16.281 11.560 6.904 1.00 0.43 O ATOM 900 CB ARG A 56 15.716 8.610 5.429 1.00 0.44 C ATOM 901 CG ARG A 56 17.129 8.149 5.785 1.00 0.81 C ATOM 902 CD ARG A 56 17.617 7.162 4.730 1.00 0.67 C ATOM 903 NE ARG A 56 17.850 5.831 5.359 1.00 1.00 N ATOM 904 CZ ARG A 56 18.980 5.585 5.961 1.00 1.24 C ATOM 905 NH1 ARG A 56 19.884 6.521 6.054 1.00 1.52 N ATOM 906 NH2 ARG A 56 19.203 4.408 6.477 1.00 1.69 N ATOM 0 H ARG A 56 13.284 8.783 5.801 1.00 0.36 H new ATOM 0 HA ARG A 56 15.582 9.201 7.499 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.072 7.744 5.275 1.00 0.44 H new ATOM 0 HB3 ARG A 56 15.733 9.166 4.491 1.00 0.44 H new ATOM 0 HG2 ARG A 56 17.801 9.005 5.837 1.00 0.81 H new ATOM 0 HG3 ARG A 56 17.134 7.680 6.769 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.880 7.074 3.932 1.00 0.67 H new ATOM 0 HD3 ARG A 56 18.538 7.527 4.275 1.00 0.67 H new ATOM 0 HE ARG A 56 17.126 5.113 5.319 1.00 1.00 H new ATOM 0 HH11 ARG A 56 19.706 7.443 5.656 1.00 1.52 H new ATOM 0 HH12 ARG A 56 20.769 6.331 6.525 1.00 1.52 H new ATOM 0 HH21 ARG A 56 18.493 3.679 6.410 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.087 4.217 6.948 1.00 1.69 H new ATOM 920 N LEU A 57 14.890 11.477 5.207 1.00 0.38 N ATOM 921 CA LEU A 57 15.198 12.885 4.853 1.00 0.42 C ATOM 922 C LEU A 57 14.014 13.536 4.150 1.00 0.39 C ATOM 923 O LEU A 57 13.933 14.745 4.080 1.00 0.41 O ATOM 924 CB LEU A 57 16.416 12.925 3.931 1.00 0.51 C ATOM 925 CG LEU A 57 17.559 13.661 4.632 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.817 13.571 3.774 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.183 15.132 4.826 1.00 1.66 C ATOM 0 H LEU A 57 14.212 11.009 4.605 1.00 0.38 H new ATOM 0 HA LEU A 57 15.407 13.435 5.771 1.00 0.42 H new ATOM 0 HB2 LEU A 57 16.725 11.912 3.674 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.163 13.428 2.998 1.00 0.51 H new ATOM 0 HG LEU A 57 17.742 13.203 5.604 1.00 1.11 H new ATOM 0 HD11 LEU A 57 19.634 14.095 4.270 1.00 1.63 H new ATOM 0 HD12 LEU A 57 19.088 12.525 3.634 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.629 14.030 2.803 1.00 1.63 H new ATOM 0 HD21 LEU A 57 17.999 15.653 5.326 1.00 1.66 H new ATOM 0 HD22 LEU A 57 16.999 15.592 3.855 1.00 1.66 H new ATOM 0 HD23 LEU A 57 16.282 15.200 5.436 1.00 1.66 H new ATOM 939 N GLY A 58 13.077 12.769 3.657 1.00 0.39 N ATOM 940 CA GLY A 58 11.896 13.383 2.983 1.00 0.38 C ATOM 941 C GLY A 58 12.329 14.150 1.729 1.00 0.33 C ATOM 942 O GLY A 58 11.769 13.986 0.664 1.00 0.31 O ATOM 0 H GLY A 58 13.078 11.750 3.692 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.181 12.606 2.712 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.388 14.058 3.671 1.00 0.38 H new ATOM 946 N ASP A 59 13.304 15.004 1.854 1.00 0.37 N ATOM 947 CA ASP A 59 13.759 15.805 0.683 1.00 0.38 C ATOM 948 C ASP A 59 14.566 14.934 -0.274 1.00 0.30 C ATOM 949 O ASP A 59 14.351 14.948 -1.466 1.00 0.32 O ATOM 950 CB ASP A 59 14.629 16.966 1.167 1.00 0.47 C ATOM 951 CG ASP A 59 14.112 18.276 0.567 1.00 0.57 C ATOM 952 OD1 ASP A 59 12.973 18.620 0.838 1.00 1.38 O ATOM 953 OD2 ASP A 59 14.864 18.912 -0.153 1.00 1.06 O ATOM 0 H ASP A 59 13.809 15.184 2.722 1.00 0.37 H new ATOM 0 HA ASP A 59 12.884 16.191 0.159 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.610 17.020 2.256 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.666 16.804 0.874 1.00 0.47 H new ATOM 958 N GLY A 60 15.491 14.176 0.236 1.00 0.26 N ATOM 959 CA GLY A 60 16.308 13.311 -0.649 1.00 0.24 C ATOM 960 C GLY A 60 15.525 12.044 -0.952 1.00 0.23 C ATOM 961 O GLY A 60 16.090 11.003 -1.211 1.00 0.24 O ATOM 0 H GLY A 60 15.716 14.119 1.229 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.549 13.836 -1.573 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.254 13.064 -0.167 1.00 0.24 H new ATOM 965 N VAL A 61 14.224 12.117 -0.917 1.00 0.22 N ATOM 966 CA VAL A 61 13.403 10.916 -1.198 1.00 0.22 C ATOM 967 C VAL A 61 12.042 11.377 -1.717 1.00 0.22 C ATOM 968 O VAL A 61 11.468 12.323 -1.216 1.00 0.28 O ATOM 969 CB VAL A 61 13.205 10.109 0.085 1.00 0.25 C ATOM 970 CG1 VAL A 61 12.114 9.063 -0.148 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.511 9.407 0.467 1.00 0.38 C ATOM 0 H VAL A 61 13.695 12.963 -0.704 1.00 0.22 H new ATOM 0 HA VAL A 61 13.903 10.290 -1.937 1.00 0.22 H new ATOM 0 HB VAL A 61 12.912 10.779 0.894 1.00 0.25 H new ATOM 0 HG11 VAL A 61 11.966 8.482 0.763 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.183 9.562 -0.415 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.415 8.398 -0.958 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.362 8.834 1.382 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.812 8.735 -0.337 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.291 10.152 0.628 1.00 0.38 H new ATOM 981 N GLN A 62 11.548 10.742 -2.745 1.00 0.20 N ATOM 982 CA GLN A 62 10.251 11.172 -3.329 1.00 0.21 C ATOM 983 C GLN A 62 9.369 9.989 -3.710 1.00 0.22 C ATOM 984 O GLN A 62 9.827 8.912 -4.033 1.00 0.21 O ATOM 985 CB GLN A 62 10.533 11.950 -4.601 1.00 0.23 C ATOM 986 CG GLN A 62 10.338 13.435 -4.350 1.00 0.34 C ATOM 987 CD GLN A 62 8.850 13.735 -4.160 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.016 13.200 -4.862 1.00 1.14 O ATOM 989 NE2 GLN A 62 8.480 14.575 -3.232 1.00 1.31 N ATOM 0 H GLN A 62 11.988 9.944 -3.204 1.00 0.20 H new ATOM 0 HA GLN A 62 9.733 11.769 -2.578 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.552 11.759 -4.936 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.868 11.616 -5.397 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.896 13.740 -3.465 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.731 14.010 -5.189 1.00 0.34 H new ATOM 0 HE21 GLN A 62 9.180 15.024 -2.642 1.00 1.31 H new ATOM 0 HE22 GLN A 62 7.490 14.782 -3.097 1.00 1.31 H new ATOM 998 N LEU A 63 8.093 10.233 -3.716 1.00 0.25 N ATOM 999 CA LEU A 63 7.108 9.200 -4.122 1.00 0.26 C ATOM 1000 C LEU A 63 6.791 9.435 -5.598 1.00 0.29 C ATOM 1001 O LEU A 63 6.148 10.409 -5.939 1.00 0.34 O ATOM 1002 CB LEU A 63 5.838 9.359 -3.278 1.00 0.29 C ATOM 1003 CG LEU A 63 4.825 8.260 -3.622 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.153 7.761 -2.339 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.751 8.820 -4.561 1.00 0.48 C ATOM 0 H LEU A 63 7.682 11.128 -3.450 1.00 0.25 H new ATOM 0 HA LEU A 63 7.500 8.194 -3.972 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.090 9.311 -2.219 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.395 10.339 -3.457 1.00 0.29 H new ATOM 0 HG LEU A 63 5.346 7.437 -4.111 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.433 6.980 -2.585 1.00 0.49 H new ATOM 0 HD12 LEU A 63 4.909 7.358 -1.665 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.638 8.589 -1.853 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.034 8.035 -4.802 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.235 9.646 -4.072 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.220 9.178 -5.478 1.00 0.48 H new ATOM 1017 N VAL A 64 7.235 8.575 -6.478 1.00 0.29 N ATOM 1018 CA VAL A 64 6.948 8.793 -7.928 1.00 0.33 C ATOM 1019 C VAL A 64 5.760 7.934 -8.362 1.00 0.32 C ATOM 1020 O VAL A 64 5.073 8.269 -9.307 1.00 0.37 O ATOM 1021 CB VAL A 64 8.178 8.470 -8.776 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.908 7.267 -8.194 1.00 1.12 C ATOM 1023 CG2 VAL A 64 7.749 8.170 -10.215 1.00 1.35 C ATOM 0 H VAL A 64 7.778 7.740 -6.259 1.00 0.29 H new ATOM 0 HA VAL A 64 6.697 9.843 -8.079 1.00 0.33 H new ATOM 0 HB VAL A 64 8.849 9.329 -8.773 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.783 7.043 -8.804 1.00 1.12 H new ATOM 0 HG12 VAL A 64 9.223 7.491 -7.175 1.00 1.12 H new ATOM 0 HG13 VAL A 64 8.241 6.405 -8.186 1.00 1.12 H new ATOM 0 HG21 VAL A 64 8.629 7.940 -10.816 1.00 1.35 H new ATOM 0 HG22 VAL A 64 7.071 7.316 -10.222 1.00 1.35 H new ATOM 0 HG23 VAL A 64 7.241 9.040 -10.632 1.00 1.35 H new ATOM 1033 N ASN A 65 5.466 6.852 -7.680 1.00 0.28 N ATOM 1034 CA ASN A 65 4.275 6.045 -8.084 1.00 0.29 C ATOM 1035 C ASN A 65 3.964 5.013 -6.997 1.00 0.26 C ATOM 1036 O ASN A 65 4.820 4.640 -6.226 1.00 0.24 O ATOM 1037 CB ASN A 65 4.559 5.331 -9.401 1.00 0.30 C ATOM 1038 CG ASN A 65 3.513 5.739 -10.440 1.00 0.38 C ATOM 1039 OD1 ASN A 65 2.334 5.521 -10.249 1.00 1.20 O ATOM 1040 ND2 ASN A 65 3.900 6.324 -11.540 1.00 0.98 N ATOM 0 H ASN A 65 5.988 6.500 -6.878 1.00 0.28 H new ATOM 0 HA ASN A 65 3.418 6.707 -8.212 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.558 5.585 -9.756 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.538 4.251 -9.253 1.00 0.30 H new ATOM 0 HD21 ASN A 65 3.212 6.599 -12.241 1.00 0.98 H new ATOM 0 HD22 ASN A 65 4.891 6.507 -11.699 1.00 0.98 H new ATOM 1047 N VAL A 66 2.738 4.560 -6.930 1.00 0.27 N ATOM 1048 CA VAL A 66 2.350 3.557 -5.894 1.00 0.25 C ATOM 1049 C VAL A 66 1.053 2.874 -6.327 1.00 0.26 C ATOM 1050 O VAL A 66 0.097 3.521 -6.708 1.00 0.29 O ATOM 1051 CB VAL A 66 2.100 4.248 -4.547 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.516 3.235 -3.560 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.408 4.797 -3.976 1.00 0.63 C ATOM 0 H VAL A 66 1.983 4.845 -7.554 1.00 0.27 H new ATOM 0 HA VAL A 66 3.157 2.832 -5.787 1.00 0.25 H new ATOM 0 HB VAL A 66 1.403 5.072 -4.701 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.337 3.722 -2.602 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.575 2.847 -3.951 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.219 2.413 -3.423 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.212 5.284 -3.021 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.113 3.978 -3.828 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.833 5.521 -4.671 1.00 0.63 H new ATOM 1063 N GLN A 67 1.018 1.573 -6.275 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.218 0.851 -6.686 1.00 0.27 C ATOM 1065 C GLN A 67 -0.448 -0.367 -5.799 1.00 0.25 C ATOM 1066 O GLN A 67 0.452 -0.883 -5.169 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.097 0.405 -8.146 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.244 -0.548 -8.488 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.362 -0.682 -10.007 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.826 -1.604 -10.591 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -2.045 0.204 -10.678 1.00 1.41 N ATOM 0 H GLN A 67 1.788 0.980 -5.967 1.00 0.25 H new ATOM 0 HA GLN A 67 -1.066 1.528 -6.579 1.00 0.27 H new ATOM 0 HB2 GLN A 67 -0.123 1.273 -8.805 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.861 -0.090 -8.308 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.065 -1.525 -8.039 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.179 -0.173 -8.072 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -2.495 0.978 -10.189 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -2.129 0.123 -11.691 1.00 1.41 H new ATOM 1080 N THR A 68 -1.669 -0.814 -5.757 1.00 0.26 N ATOM 1081 CA THR A 68 -2.015 -1.997 -4.932 1.00 0.27 C ATOM 1082 C THR A 68 -2.324 -3.179 -5.847 1.00 0.30 C ATOM 1083 O THR A 68 -2.542 -3.026 -7.032 1.00 0.43 O ATOM 1084 CB THR A 68 -3.212 -1.668 -4.037 1.00 0.35 C ATOM 1085 OG1 THR A 68 -4.007 -0.668 -4.655 1.00 0.52 O ATOM 1086 CG2 THR A 68 -2.699 -1.163 -2.686 1.00 0.46 C ATOM 0 H THR A 68 -2.451 -0.403 -6.267 1.00 0.26 H new ATOM 0 HA THR A 68 -1.174 -2.264 -4.293 1.00 0.27 H new ATOM 0 HB THR A 68 -3.819 -2.561 -3.887 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.803 -1.081 -5.051 1.00 0.52 H new ATOM 0 HG21 THR A 68 -3.545 -0.926 -2.041 1.00 0.46 H new ATOM 0 HG22 THR A 68 -2.090 -1.935 -2.216 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.096 -0.268 -2.837 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.362 -4.354 -5.297 1.00 0.29 N ATOM 1095 CA GLY A 69 -2.676 -5.562 -6.113 1.00 0.38 C ATOM 1096 C GLY A 69 -2.905 -6.765 -5.190 1.00 0.31 C ATOM 1097 O GLY A 69 -2.751 -6.682 -3.990 1.00 0.40 O ATOM 0 H GLY A 69 -2.188 -4.536 -4.309 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -3.564 -5.382 -6.719 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -1.857 -5.770 -6.801 1.00 0.38 H new ATOM 1101 N SER A 70 -3.262 -7.883 -5.757 1.00 0.42 N ATOM 1102 CA SER A 70 -3.497 -9.111 -4.953 1.00 0.34 C ATOM 1103 C SER A 70 -3.228 -10.316 -5.848 1.00 0.32 C ATOM 1104 O SER A 70 -3.367 -10.246 -7.053 1.00 0.33 O ATOM 1105 CB SER A 70 -4.950 -9.156 -4.472 1.00 0.32 C ATOM 1106 OG SER A 70 -5.766 -9.693 -5.504 1.00 0.34 O ATOM 0 H SER A 70 -3.403 -7.998 -6.761 1.00 0.42 H new ATOM 0 HA SER A 70 -2.840 -9.118 -4.083 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.030 -9.768 -3.573 1.00 0.32 H new ATOM 0 HB3 SER A 70 -5.289 -8.155 -4.207 1.00 0.32 H new ATOM 0 HG SER A 70 -6.704 -9.472 -5.327 1.00 0.34 H new ATOM 1112 N GLU A 71 -2.847 -11.422 -5.280 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.581 -12.619 -6.124 1.00 0.35 C ATOM 1114 C GLU A 71 -2.633 -13.874 -5.272 1.00 0.35 C ATOM 1115 O GLU A 71 -2.832 -13.822 -4.076 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.212 -12.507 -6.788 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.104 -12.477 -5.735 1.00 0.54 C ATOM 1118 CD GLU A 71 0.220 -13.892 -5.285 1.00 0.59 C ATOM 1119 OE1 GLU A 71 0.944 -14.573 -5.993 1.00 1.12 O ATOM 1120 OE2 GLU A 71 -0.258 -14.269 -4.235 1.00 1.29 O ATOM 0 H GLU A 71 -2.709 -11.551 -4.278 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.346 -12.676 -6.899 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -1.058 -13.350 -7.461 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.169 -11.603 -7.395 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.788 -12.004 -6.146 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.418 -11.877 -4.881 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.480 -15.006 -5.887 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.545 -16.268 -5.120 1.00 0.51 C ATOM 1129 C VAL A 72 -1.161 -16.648 -4.601 1.00 0.58 C ATOM 1130 O VAL A 72 -0.167 -16.533 -5.289 1.00 0.93 O ATOM 1131 CB VAL A 72 -3.080 -17.390 -6.011 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.419 -17.879 -5.459 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -3.276 -16.871 -7.439 1.00 1.02 C ATOM 0 H VAL A 72 -2.313 -15.110 -6.888 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.214 -16.124 -4.272 1.00 0.51 H new ATOM 0 HB VAL A 72 -2.365 -18.213 -6.024 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.803 -18.679 -6.092 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -4.279 -18.254 -4.445 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -5.130 -17.053 -5.446 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -3.657 -17.675 -8.069 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -3.989 -16.046 -7.432 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -2.322 -16.522 -7.834 1.00 1.02 H new ATOM 1143 N ARG A 73 -1.105 -17.134 -3.393 1.00 0.44 N ATOM 1144 CA ARG A 73 0.192 -17.567 -2.812 1.00 0.48 C ATOM 1145 C ARG A 73 -0.054 -18.763 -1.896 1.00 0.54 C ATOM 1146 O ARG A 73 -0.473 -18.606 -0.768 1.00 0.55 O ATOM 1147 CB ARG A 73 0.800 -16.430 -2.006 1.00 0.43 C ATOM 1148 CG ARG A 73 2.296 -16.670 -1.824 1.00 0.53 C ATOM 1149 CD ARG A 73 2.905 -15.491 -1.068 1.00 0.62 C ATOM 1150 NE ARG A 73 4.388 -15.530 -1.204 1.00 0.89 N ATOM 1151 CZ ARG A 73 5.127 -14.686 -0.538 1.00 1.42 C ATOM 1152 NH1 ARG A 73 4.569 -13.810 0.252 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.426 -14.719 -0.662 1.00 1.70 N ATOM 0 H ARG A 73 -1.911 -17.250 -2.779 1.00 0.44 H new ATOM 0 HA ARG A 73 0.879 -17.844 -3.612 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.634 -15.481 -2.516 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.312 -16.360 -1.034 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.464 -17.596 -1.274 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.779 -16.784 -2.794 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.517 -14.552 -1.463 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.624 -15.535 -0.016 1.00 0.62 H new ATOM 0 HE ARG A 73 4.826 -16.217 -1.818 1.00 0.89 H new ATOM 0 HH11 ARG A 73 3.554 -13.785 0.349 1.00 2.23 H new ATOM 0 HH12 ARG A 73 5.148 -13.151 0.772 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.862 -15.404 -1.279 1.00 1.70 H new ATOM 0 HH22 ARG A 73 7.005 -14.060 -0.142 1.00 1.70 H new ATOM 1167 N ASP A 74 0.190 -19.949 -2.402 1.00 0.60 N ATOM 1168 CA ASP A 74 -0.025 -21.206 -1.619 1.00 0.68 C ATOM 1169 C ASP A 74 -1.462 -21.692 -1.815 1.00 0.68 C ATOM 1170 O ASP A 74 -2.074 -22.233 -0.916 1.00 0.69 O ATOM 1171 CB ASP A 74 0.241 -20.974 -0.130 1.00 0.68 C ATOM 1172 CG ASP A 74 0.673 -22.288 0.521 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.201 -23.326 0.088 1.00 1.38 O ATOM 1174 OD2 ASP A 74 1.471 -22.234 1.443 1.00 1.27 O ATOM 0 H ASP A 74 0.538 -20.100 -3.349 1.00 0.60 H new ATOM 0 HA ASP A 74 0.673 -21.962 -1.980 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.017 -20.220 -0.001 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.657 -20.593 0.356 1.00 0.68 H new ATOM 1179 N ARG A 75 -2.004 -21.492 -2.991 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.407 -21.925 -3.278 1.00 0.69 C ATOM 1181 C ARG A 75 -4.374 -21.124 -2.404 1.00 0.59 C ATOM 1182 O ARG A 75 -5.374 -21.618 -1.921 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.567 -23.437 -3.042 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.633 -24.151 -4.392 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.388 -23.806 -5.210 1.00 0.85 C ATOM 1186 NE ARG A 75 -1.884 -25.030 -5.891 1.00 1.25 N ATOM 1187 CZ ARG A 75 -1.161 -25.893 -5.231 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -0.876 -25.680 -3.975 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -0.722 -26.968 -5.827 1.00 2.29 N ATOM 0 H ARG A 75 -1.529 -21.042 -3.773 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.638 -21.731 -4.326 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.730 -23.817 -2.457 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -4.472 -23.634 -2.468 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -3.697 -25.229 -4.243 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.531 -23.850 -4.932 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -2.626 -23.039 -5.947 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.616 -23.395 -4.560 1.00 0.85 H new ATOM 0 HE ARG A 75 -2.104 -25.194 -6.873 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -1.218 -24.839 -3.510 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -0.311 -26.354 -3.459 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -0.944 -27.134 -6.809 1.00 2.29 H new ATOM 0 HH22 ARG A 75 -0.157 -27.642 -5.311 1.00 2.29 H new ATOM 1203 N ARG A 76 -4.087 -19.870 -2.232 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.983 -19.002 -1.428 1.00 0.38 C ATOM 1205 C ARG A 76 -4.748 -17.553 -1.834 1.00 0.34 C ATOM 1206 O ARG A 76 -3.683 -17.199 -2.292 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.699 -19.174 0.063 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.949 -19.745 0.735 1.00 0.63 C ATOM 1209 CD ARG A 76 -5.690 -19.980 2.223 1.00 1.28 C ATOM 1210 NE ARG A 76 -4.853 -18.877 2.773 1.00 1.50 N ATOM 1211 CZ ARG A 76 -4.188 -19.059 3.879 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -4.251 -20.208 4.495 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -3.460 -18.095 4.371 1.00 2.82 N ATOM 0 H ARG A 76 -3.265 -19.405 -2.616 1.00 0.46 H new ATOM 0 HA ARG A 76 -6.020 -19.281 -1.612 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.851 -19.842 0.212 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -4.433 -18.216 0.510 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -6.785 -19.057 0.608 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -6.232 -20.682 0.256 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.636 -20.033 2.762 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.187 -20.936 2.367 1.00 1.28 H new ATOM 0 HE ARG A 76 -4.801 -17.982 2.286 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -4.820 -20.962 4.111 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -3.731 -20.352 5.361 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -3.410 -17.197 3.890 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -2.940 -18.239 5.237 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.739 -16.718 -1.710 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.550 -15.310 -2.148 1.00 0.31 C ATOM 1229 C ARG A 77 -4.914 -14.491 -1.054 1.00 0.27 C ATOM 1230 O ARG A 77 -5.225 -14.599 0.116 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.887 -14.673 -2.521 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.630 -13.375 -3.304 1.00 0.58 C ATOM 1233 CD ARG A 77 -6.884 -13.616 -4.790 1.00 0.47 C ATOM 1234 NE ARG A 77 -6.686 -12.346 -5.543 1.00 1.21 N ATOM 1235 CZ ARG A 77 -7.112 -12.248 -6.773 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -7.722 -13.256 -7.332 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -6.933 -11.142 -7.441 1.00 2.44 N ATOM 0 H ARG A 77 -6.658 -16.944 -1.330 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.897 -15.325 -3.021 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.477 -15.364 -3.123 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.465 -14.461 -1.622 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.281 -12.582 -2.937 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.604 -13.042 -3.149 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -6.206 -14.383 -5.165 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -7.898 -13.986 -4.941 1.00 0.47 H new ATOM 0 HE ARG A 77 -6.219 -11.555 -5.099 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -7.866 -14.119 -6.808 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -8.055 -13.181 -8.293 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -6.460 -10.352 -7.002 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -7.266 -11.067 -8.402 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.007 -13.673 -1.464 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.282 -12.805 -0.531 1.00 0.20 C ATOM 1253 C ILE A 78 -3.141 -11.435 -1.190 1.00 0.19 C ATOM 1254 O ILE A 78 -3.195 -11.314 -2.398 1.00 0.21 O ATOM 1255 CB ILE A 78 -1.926 -13.425 -0.253 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.111 -12.445 0.526 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.203 -13.745 -1.562 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.028 -13.171 1.325 1.00 0.23 C ATOM 0 H ILE A 78 -3.731 -13.569 -2.440 1.00 0.23 H new ATOM 0 HA ILE A 78 -3.809 -12.694 0.417 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.060 -14.350 0.307 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.652 -11.725 -0.151 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.755 -11.882 1.202 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.232 -14.189 -1.342 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.799 -14.447 -2.145 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.061 -12.827 -2.133 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.558 -12.444 1.888 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.495 -13.874 2.016 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.626 -13.714 0.642 1.00 0.23 H new ATOM 1270 N SER A 79 -3.044 -10.402 -0.419 1.00 0.20 N ATOM 1271 CA SER A 79 -2.997 -9.045 -1.020 1.00 0.22 C ATOM 1272 C SER A 79 -1.567 -8.630 -1.355 1.00 0.19 C ATOM 1273 O SER A 79 -0.602 -9.223 -0.918 1.00 0.22 O ATOM 1274 CB SER A 79 -3.600 -8.046 -0.038 1.00 0.28 C ATOM 1275 OG SER A 79 -3.122 -8.325 1.271 1.00 0.74 O ATOM 0 H SER A 79 -2.995 -10.433 0.599 1.00 0.20 H new ATOM 0 HA SER A 79 -3.568 -9.060 -1.948 1.00 0.22 H new ATOM 0 HB2 SER A 79 -3.333 -7.029 -0.326 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.688 -8.108 -0.061 1.00 0.28 H new ATOM 0 HG SER A 79 -3.854 -8.681 1.817 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.455 -7.632 -2.186 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.122 -7.160 -2.650 1.00 0.25 C ATOM 1283 C TYR A 80 -0.107 -5.635 -2.705 1.00 0.22 C ATOM 1284 O TYR A 80 -1.041 -5.015 -3.176 1.00 0.21 O ATOM 1285 CB TYR A 80 0.085 -7.699 -4.067 1.00 0.40 C ATOM 1286 CG TYR A 80 1.503 -8.168 -4.302 1.00 0.93 C ATOM 1287 CD1 TYR A 80 2.592 -7.359 -3.978 1.00 1.68 C ATOM 1288 CD2 TYR A 80 1.718 -9.430 -4.857 1.00 1.82 C ATOM 1289 CE1 TYR A 80 3.891 -7.822 -4.210 1.00 2.66 C ATOM 1290 CE2 TYR A 80 3.015 -9.893 -5.088 1.00 2.78 C ATOM 1291 CZ TYR A 80 4.104 -9.088 -4.762 1.00 3.08 C ATOM 1292 OH TYR A 80 5.390 -9.538 -4.986 1.00 4.16 O ATOM 0 H TYR A 80 -2.246 -7.115 -2.570 1.00 0.19 H new ATOM 0 HA TYR A 80 0.660 -7.504 -1.973 1.00 0.25 H new ATOM 0 HB2 TYR A 80 -0.603 -8.526 -4.242 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -0.162 -6.921 -4.789 1.00 0.40 H new ATOM 0 HD1 TYR A 80 2.433 -6.380 -3.550 1.00 1.68 H new ATOM 0 HD2 TYR A 80 0.874 -10.054 -5.110 1.00 1.82 H new ATOM 0 HE1 TYR A 80 4.736 -7.197 -3.961 1.00 2.66 H new ATOM 0 HE2 TYR A 80 3.173 -10.871 -5.518 1.00 2.78 H new ATOM 0 HH TYR A 80 5.359 -10.438 -5.373 1.00 4.16 H new ATOM 1302 N ILE A 81 0.970 -5.035 -2.274 1.00 0.25 N ATOM 1303 CA ILE A 81 1.098 -3.555 -2.344 1.00 0.27 C ATOM 1304 C ILE A 81 2.291 -3.232 -3.226 1.00 0.25 C ATOM 1305 O ILE A 81 3.377 -3.742 -3.031 1.00 0.26 O ATOM 1306 CB ILE A 81 1.328 -2.948 -0.964 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.212 -1.421 -1.055 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.730 -3.321 -0.471 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.841 -0.780 0.183 1.00 0.69 C ATOM 0 H ILE A 81 1.775 -5.515 -1.872 1.00 0.25 H new ATOM 0 HA ILE A 81 0.175 -3.138 -2.747 1.00 0.27 H new ATOM 0 HB ILE A 81 0.582 -3.331 -0.268 1.00 0.34 H new ATOM 0 HG12 ILE A 81 1.711 -1.062 -1.955 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.164 -1.131 -1.134 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.896 -2.888 0.515 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.818 -4.406 -0.410 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.475 -2.935 -1.167 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.756 0.305 0.114 1.00 0.69 H new ATOM 0 HD12 ILE A 81 1.323 -1.128 1.076 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.893 -1.059 0.242 1.00 0.69 H new ATOM 1321 N LEU A 82 2.095 -2.378 -4.178 1.00 0.25 N ATOM 1322 CA LEU A 82 3.199 -1.985 -5.080 1.00 0.25 C ATOM 1323 C LEU A 82 3.574 -0.547 -4.724 1.00 0.25 C ATOM 1324 O LEU A 82 2.742 0.338 -4.794 1.00 0.29 O ATOM 1325 CB LEU A 82 2.697 -2.083 -6.522 1.00 0.29 C ATOM 1326 CG LEU A 82 1.887 -3.373 -6.705 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.462 -3.497 -8.169 1.00 0.36 C ATOM 1328 CD2 LEU A 82 2.752 -4.578 -6.325 1.00 0.32 C ATOM 0 H LEU A 82 1.201 -1.927 -4.373 1.00 0.25 H new ATOM 0 HA LEU A 82 4.072 -2.629 -4.975 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.079 -1.218 -6.761 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.541 -2.072 -7.212 1.00 0.29 H new ATOM 0 HG LEU A 82 1.004 -3.344 -6.066 1.00 0.32 H new ATOM 0 HD11 LEU A 82 0.886 -4.412 -8.304 1.00 0.36 H new ATOM 0 HD12 LEU A 82 0.849 -2.639 -8.444 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.348 -3.529 -8.804 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.176 -5.494 -6.455 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.634 -4.609 -6.965 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.062 -4.489 -5.284 1.00 0.32 H new ATOM 1340 N LEU A 83 4.798 -0.302 -4.304 1.00 0.22 N ATOM 1341 CA LEU A 83 5.183 1.086 -3.902 1.00 0.23 C ATOM 1342 C LEU A 83 6.438 1.532 -4.644 1.00 0.21 C ATOM 1343 O LEU A 83 7.456 0.868 -4.638 1.00 0.20 O ATOM 1344 CB LEU A 83 5.458 1.108 -2.395 1.00 0.23 C ATOM 1345 CG LEU A 83 6.033 2.465 -1.980 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.350 2.937 -0.697 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.534 2.320 -1.728 1.00 0.98 C ATOM 0 H LEU A 83 5.538 -1.000 -4.224 1.00 0.22 H new ATOM 0 HA LEU A 83 4.368 1.765 -4.152 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.536 0.913 -1.847 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.158 0.314 -2.134 1.00 0.23 H new ATOM 0 HG LEU A 83 5.861 3.192 -2.773 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.759 3.903 -0.401 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.278 3.034 -0.870 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.525 2.211 0.097 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.948 3.284 -1.432 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.701 1.594 -0.932 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.025 1.979 -2.640 1.00 0.98 H new ATOM 1359 N ARG A 84 6.354 2.669 -5.276 1.00 0.22 N ATOM 1360 CA ARG A 84 7.516 3.202 -6.020 1.00 0.21 C ATOM 1361 C ARG A 84 8.221 4.265 -5.180 1.00 0.21 C ATOM 1362 O ARG A 84 7.738 4.670 -4.143 1.00 0.23 O ATOM 1363 CB ARG A 84 7.059 3.755 -7.368 1.00 0.23 C ATOM 1364 CG ARG A 84 8.070 3.338 -8.436 1.00 0.25 C ATOM 1365 CD ARG A 84 7.651 3.863 -9.806 1.00 0.31 C ATOM 1366 NE ARG A 84 8.543 3.281 -10.849 1.00 0.40 N ATOM 1367 CZ ARG A 84 8.340 3.550 -12.109 1.00 0.48 C ATOM 1368 NH1 ARG A 84 7.359 4.338 -12.458 1.00 0.49 N ATOM 1369 NH2 ARG A 84 9.118 3.034 -13.021 1.00 0.58 N ATOM 0 H ARG A 84 5.519 3.254 -5.306 1.00 0.22 H new ATOM 0 HA ARG A 84 8.230 2.402 -6.215 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.068 3.375 -7.616 1.00 0.23 H new ATOM 0 HB3 ARG A 84 6.982 4.841 -7.324 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.057 3.722 -8.180 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.149 2.251 -8.465 1.00 0.25 H new ATOM 0 HD2 ARG A 84 6.613 3.597 -10.009 1.00 0.31 H new ATOM 0 HD3 ARG A 84 7.711 4.951 -9.825 1.00 0.31 H new ATOM 0 HE ARG A 84 9.314 2.671 -10.577 1.00 0.40 H new ATOM 0 HH11 ARG A 84 6.752 4.743 -11.745 1.00 0.49 H new ATOM 0 HH12 ARG A 84 7.200 4.549 -13.443 1.00 0.49 H new ATOM 0 HH21 ARG A 84 9.885 2.420 -12.749 1.00 0.58 H new ATOM 0 HH22 ARG A 84 8.959 3.245 -14.006 1.00 0.58 H new ATOM 1383 N LEU A 85 9.356 4.722 -5.629 1.00 0.20 N ATOM 1384 CA LEU A 85 10.091 5.764 -4.850 1.00 0.21 C ATOM 1385 C LEU A 85 11.103 6.469 -5.744 1.00 0.21 C ATOM 1386 O LEU A 85 11.677 5.867 -6.618 1.00 0.22 O ATOM 1387 CB LEU A 85 10.833 5.095 -3.690 1.00 0.23 C ATOM 1388 CG LEU A 85 10.180 5.437 -2.347 1.00 0.53 C ATOM 1389 CD1 LEU A 85 10.906 4.682 -1.233 1.00 1.39 C ATOM 1390 CD2 LEU A 85 10.277 6.940 -2.079 1.00 0.94 C ATOM 0 H LEU A 85 9.806 4.424 -6.494 1.00 0.20 H new ATOM 0 HA LEU A 85 9.377 6.494 -4.469 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.836 4.014 -3.831 1.00 0.23 H new ATOM 0 HB3 LEU A 85 11.874 5.419 -3.685 1.00 0.23 H new ATOM 0 HG LEU A 85 9.129 5.148 -2.377 1.00 0.53 H new ATOM 0 HD11 LEU A 85 10.447 4.920 -0.273 1.00 1.39 H new ATOM 0 HD12 LEU A 85 10.834 3.609 -1.414 1.00 1.39 H new ATOM 0 HD13 LEU A 85 11.955 4.978 -1.217 1.00 1.39 H new ATOM 0 HD21 LEU A 85 9.809 7.170 -1.122 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.325 7.238 -2.052 1.00 0.94 H new ATOM 0 HD23 LEU A 85 9.766 7.485 -2.873 1.00 0.94 H new ATOM 1402 N LYS A 86 11.308 7.742 -5.531 1.00 0.22 N ATOM 1403 CA LYS A 86 12.283 8.509 -6.369 1.00 0.24 C ATOM 1404 C LYS A 86 13.217 9.315 -5.461 1.00 0.23 C ATOM 1405 O LYS A 86 12.893 9.602 -4.329 1.00 0.28 O ATOM 1406 CB LYS A 86 11.510 9.436 -7.304 1.00 0.27 C ATOM 1407 CG LYS A 86 12.460 10.260 -8.179 1.00 0.38 C ATOM 1408 CD LYS A 86 12.538 11.716 -7.694 1.00 0.72 C ATOM 1409 CE LYS A 86 13.144 12.579 -8.804 1.00 0.72 C ATOM 1410 NZ LYS A 86 14.543 12.137 -9.070 1.00 1.42 N ATOM 0 H LYS A 86 10.840 8.289 -4.808 1.00 0.22 H new ATOM 0 HA LYS A 86 12.887 7.824 -6.964 1.00 0.24 H new ATOM 0 HB2 LYS A 86 10.847 8.847 -7.938 1.00 0.27 H new ATOM 0 HB3 LYS A 86 10.880 10.105 -6.718 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.454 9.814 -8.161 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.119 10.236 -9.214 1.00 0.38 H new ATOM 0 HD2 LYS A 86 11.544 12.080 -7.434 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.147 11.780 -6.792 1.00 0.72 H new ATOM 0 HE2 LYS A 86 12.546 12.495 -9.712 1.00 0.72 H new ATOM 0 HE3 LYS A 86 13.133 13.629 -8.510 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 15.047 12.878 -9.597 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 15.029 11.962 -8.168 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 14.530 11.261 -9.631 1.00 1.42 H new ATOM 1424 N ARG A 87 14.380 9.672 -5.951 1.00 0.24 N ATOM 1425 CA ARG A 87 15.350 10.452 -5.119 1.00 0.24 C ATOM 1426 C ARG A 87 15.526 11.848 -5.707 1.00 0.26 C ATOM 1427 O ARG A 87 15.617 12.019 -6.907 1.00 0.28 O ATOM 1428 CB ARG A 87 16.711 9.755 -5.117 1.00 0.27 C ATOM 1429 CG ARG A 87 16.607 8.392 -4.421 1.00 0.62 C ATOM 1430 CD ARG A 87 16.470 8.574 -2.903 1.00 0.43 C ATOM 1431 NE ARG A 87 16.896 7.322 -2.214 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.272 7.358 -0.964 1.00 0.80 C ATOM 1433 NH1 ARG A 87 17.278 8.490 -0.313 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.643 6.260 -0.364 1.00 0.86 N ATOM 0 H ARG A 87 14.700 9.456 -6.895 1.00 0.24 H new ATOM 0 HA ARG A 87 14.963 10.518 -4.102 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.062 9.623 -6.141 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.446 10.377 -4.606 1.00 0.27 H new ATOM 0 HG2 ARG A 87 15.747 7.844 -4.807 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.491 7.795 -4.644 1.00 0.62 H new ATOM 0 HD2 ARG A 87 17.082 9.412 -2.569 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.438 8.811 -2.646 1.00 0.43 H new ATOM 0 HE ARG A 87 16.894 6.436 -2.720 1.00 0.48 H new ATOM 0 HH11 ARG A 87 16.988 9.349 -0.781 1.00 1.64 H new ATOM 0 HH12 ARG A 87 17.572 8.515 0.663 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.639 5.375 -0.871 1.00 0.86 H new ATOM 0 HH22 ARG A 87 17.937 6.287 0.612 1.00 0.86 H new ATOM 1448 N VAL A 88 15.595 12.840 -4.862 1.00 0.27 N ATOM 1449 CA VAL A 88 15.787 14.240 -5.347 1.00 0.30 C ATOM 1450 C VAL A 88 17.125 14.765 -4.835 1.00 0.31 C ATOM 1451 O VAL A 88 17.554 15.848 -5.181 1.00 0.35 O ATOM 1452 CB VAL A 88 14.657 15.127 -4.825 1.00 0.31 C ATOM 1453 CG1 VAL A 88 14.820 16.545 -5.376 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.313 14.555 -5.277 1.00 0.63 C ATOM 0 H VAL A 88 15.526 12.742 -3.849 1.00 0.27 H new ATOM 0 HA VAL A 88 15.777 14.254 -6.437 1.00 0.30 H new ATOM 0 HB VAL A 88 14.693 15.157 -3.736 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.013 17.175 -5.002 1.00 0.49 H new ATOM 0 HG12 VAL A 88 15.778 16.953 -5.054 1.00 0.49 H new ATOM 0 HG13 VAL A 88 14.785 16.518 -6.465 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.506 15.186 -4.906 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.278 14.525 -6.366 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.196 13.546 -4.882 1.00 0.63 H new ATOM 1464 N TYR A 89 17.794 14.000 -4.021 1.00 0.31 N ATOM 1465 CA TYR A 89 19.111 14.447 -3.494 1.00 0.37 C ATOM 1466 C TYR A 89 19.729 13.334 -2.647 1.00 0.49 C ATOM 1467 O TYR A 89 19.160 12.255 -2.614 1.00 1.12 O ATOM 1468 CB TYR A 89 18.925 15.701 -2.637 1.00 0.35 C ATOM 1469 CG TYR A 89 19.823 16.800 -3.154 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.214 16.665 -3.064 1.00 1.13 C ATOM 1471 CD2 TYR A 89 19.268 17.954 -3.724 1.00 1.46 C ATOM 1472 CE1 TYR A 89 22.049 17.682 -3.542 1.00 1.28 C ATOM 1473 CE2 TYR A 89 20.103 18.970 -4.203 1.00 1.76 C ATOM 1474 CZ TYR A 89 21.494 18.834 -4.112 1.00 1.27 C ATOM 1475 OH TYR A 89 22.317 19.835 -4.584 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.761 13.578 -2.044 1.00 1.00 O ATOM 0 H TYR A 89 17.485 13.083 -3.697 1.00 0.31 H new ATOM 0 HA TYR A 89 19.773 14.677 -4.329 1.00 0.37 H new ATOM 0 HB2 TYR A 89 17.884 16.023 -2.666 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.162 15.482 -1.596 1.00 0.35 H new ATOM 0 HD1 TYR A 89 21.643 15.776 -2.626 1.00 1.13 H new ATOM 0 HD2 TYR A 89 18.195 18.059 -3.794 1.00 1.46 H new ATOM 0 HE1 TYR A 89 23.122 17.578 -3.471 1.00 1.28 H new ATOM 0 HE2 TYR A 89 19.675 19.859 -4.643 1.00 1.76 H new ATOM 0 HH TYR A 89 21.771 20.563 -4.949 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -21.183 18.300 1.642 1.00 3.96 N ATOM 1488 CA MET B 1 -21.330 17.535 0.372 1.00 3.21 C ATOM 1489 C MET B 1 -20.436 16.295 0.416 1.00 2.20 C ATOM 1490 O MET B 1 -19.316 16.311 -0.055 1.00 2.41 O ATOM 1491 CB MET B 1 -20.916 18.416 -0.808 1.00 3.93 C ATOM 1492 CG MET B 1 -21.905 19.571 -0.956 1.00 4.72 C ATOM 1493 SD MET B 1 -21.021 21.058 -1.488 1.00 5.70 S ATOM 1494 CE MET B 1 -22.364 21.784 -2.460 1.00 6.35 C ATOM 0 H1 MET B 1 -22.087 18.755 1.880 1.00 3.96 H new ATOM 0 H2 MET B 1 -20.910 17.652 2.408 1.00 3.96 H new ATOM 0 H3 MET B 1 -20.449 19.028 1.526 1.00 3.96 H new ATOM 0 HA MET B 1 -22.370 17.231 0.252 1.00 3.21 H new ATOM 0 HB2 MET B 1 -19.910 18.804 -0.650 1.00 3.93 H new ATOM 0 HB3 MET B 1 -20.890 17.826 -1.724 1.00 3.93 H new ATOM 0 HG2 MET B 1 -22.675 19.313 -1.683 1.00 4.72 H new ATOM 0 HG3 MET B 1 -22.410 19.755 -0.008 1.00 4.72 H new ATOM 0 HE1 MET B 1 -22.032 22.729 -2.890 1.00 6.35 H new ATOM 0 HE2 MET B 1 -22.645 21.100 -3.260 1.00 6.35 H new ATOM 0 HE3 MET B 1 -23.225 21.961 -1.815 1.00 6.35 H new ATOM 1506 N THR B 2 -20.923 15.220 0.972 1.00 1.60 N ATOM 1507 CA THR B 2 -20.104 13.977 1.041 1.00 1.14 C ATOM 1508 C THR B 2 -20.464 13.076 -0.138 1.00 0.94 C ATOM 1509 O THR B 2 -20.487 11.866 -0.026 1.00 1.61 O ATOM 1510 CB THR B 2 -20.392 13.244 2.352 1.00 1.83 C ATOM 1511 OG1 THR B 2 -20.358 14.172 3.427 1.00 2.42 O ATOM 1512 CG2 THR B 2 -19.336 12.160 2.574 1.00 2.32 C ATOM 0 H THR B 2 -21.854 15.149 1.382 1.00 1.60 H new ATOM 0 HA THR B 2 -19.045 14.233 0.999 1.00 1.14 H new ATOM 0 HB THR B 2 -21.378 12.781 2.303 1.00 1.83 H new ATOM 0 HG1 THR B 2 -20.544 13.705 4.268 1.00 2.42 H new ATOM 0 HG21 THR B 2 -19.542 11.638 3.508 1.00 2.32 H new ATOM 0 HG22 THR B 2 -19.364 11.450 1.748 1.00 2.32 H new ATOM 0 HG23 THR B 2 -18.349 12.619 2.624 1.00 2.32 H new ATOM 1520 N GLU B 3 -20.766 13.659 -1.263 1.00 0.88 N ATOM 1521 CA GLU B 3 -21.151 12.845 -2.446 1.00 0.65 C ATOM 1522 C GLU B 3 -19.933 12.109 -2.990 1.00 0.59 C ATOM 1523 O GLU B 3 -19.806 10.923 -2.801 1.00 0.81 O ATOM 1524 CB GLU B 3 -21.697 13.770 -3.530 1.00 0.93 C ATOM 1525 CG GLU B 3 -22.980 14.443 -3.035 1.00 0.89 C ATOM 1526 CD GLU B 3 -24.107 14.210 -4.044 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -23.900 14.496 -5.211 1.00 1.68 O ATOM 1528 OE2 GLU B 3 -25.159 13.753 -3.629 1.00 1.56 O ATOM 0 H GLU B 3 -20.763 14.668 -1.414 1.00 0.88 H new ATOM 0 HA GLU B 3 -21.909 12.119 -2.152 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -20.954 14.525 -3.785 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -21.900 13.202 -4.438 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -23.261 14.040 -2.062 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -22.813 15.512 -2.902 1.00 0.89 H new ATOM 1535 N LYS B 4 -19.021 12.781 -3.643 1.00 0.65 N ATOM 1536 CA LYS B 4 -17.816 12.070 -4.167 1.00 0.57 C ATOM 1537 C LYS B 4 -16.679 12.167 -3.145 1.00 0.51 C ATOM 1538 O LYS B 4 -15.636 12.743 -3.386 1.00 0.47 O ATOM 1539 CB LYS B 4 -17.396 12.686 -5.504 1.00 0.60 C ATOM 1540 CG LYS B 4 -18.123 14.013 -5.694 1.00 1.06 C ATOM 1541 CD LYS B 4 -17.587 14.718 -6.938 1.00 1.25 C ATOM 1542 CE LYS B 4 -16.483 15.694 -6.530 1.00 1.83 C ATOM 1543 NZ LYS B 4 -15.914 16.336 -7.747 1.00 2.31 N ATOM 0 H LYS B 4 -19.057 13.782 -3.835 1.00 0.65 H new ATOM 0 HA LYS B 4 -18.051 11.018 -4.328 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -16.317 12.842 -5.523 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -17.634 12.006 -6.322 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -19.195 13.841 -5.795 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -17.983 14.645 -4.817 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -17.198 13.986 -7.646 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -18.392 15.252 -7.443 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -16.884 16.453 -5.859 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -15.700 15.167 -5.984 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -15.163 17.000 -7.470 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -15.517 15.605 -8.372 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -16.664 16.852 -8.250 1.00 2.31 H new ATOM 1557 N LEU B 5 -16.879 11.601 -2.000 1.00 0.55 N ATOM 1558 CA LEU B 5 -15.835 11.637 -0.949 1.00 0.57 C ATOM 1559 C LEU B 5 -16.175 10.530 0.044 1.00 0.76 C ATOM 1560 O LEU B 5 -17.329 10.191 0.211 1.00 1.59 O ATOM 1561 CB LEU B 5 -15.842 13.004 -0.251 1.00 0.62 C ATOM 1562 CG LEU B 5 -14.414 13.399 0.148 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -13.717 14.081 -1.033 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -14.459 14.373 1.330 1.00 1.62 C ATOM 0 H LEU B 5 -17.733 11.107 -1.741 1.00 0.55 H new ATOM 0 HA LEU B 5 -14.842 11.487 -1.372 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -16.264 13.758 -0.915 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -16.478 12.966 0.633 1.00 0.62 H new ATOM 0 HG LEU B 5 -13.864 12.502 0.431 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -12.703 14.360 -0.745 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -13.678 13.394 -1.879 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -14.273 14.975 -1.317 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -13.443 14.651 1.611 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -15.014 15.266 1.044 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -14.951 13.895 2.177 1.00 1.62 H new ATOM 1576 N ASN B 6 -15.218 9.995 0.747 1.00 0.33 N ATOM 1577 CA ASN B 6 -15.558 8.950 1.756 1.00 0.35 C ATOM 1578 C ASN B 6 -14.301 8.451 2.463 1.00 0.29 C ATOM 1579 O ASN B 6 -13.643 7.545 1.987 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.276 7.766 1.100 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.538 7.449 1.901 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -17.565 6.383 2.652 1.00 1.46 O flip ATOM 1583 ND2 ASN B 6 -18.506 8.182 1.849 1.00 0.99 N flip ATOM 0 H ASN B 6 -14.228 10.230 0.671 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.224 9.406 2.488 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -16.534 8.006 0.069 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -15.620 6.896 1.070 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -18.484 9.015 1.261 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -19.341 7.964 2.393 1.00 0.99 H new ATOM 1590 N GLU B 7 -13.943 9.004 3.583 1.00 0.28 N ATOM 1591 CA GLU B 7 -12.724 8.501 4.268 1.00 0.30 C ATOM 1592 C GLU B 7 -13.146 7.378 5.210 1.00 0.32 C ATOM 1593 O GLU B 7 -13.703 7.607 6.265 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.052 9.632 5.047 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.112 10.532 5.685 1.00 0.53 C ATOM 1596 CD GLU B 7 -12.429 11.575 6.570 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -11.217 11.685 6.494 1.00 1.08 O ATOM 1598 OE2 GLU B 7 -13.130 12.247 7.309 1.00 1.49 O ATOM 0 H GLU B 7 -14.431 9.769 4.048 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.005 8.127 3.539 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.403 9.217 5.819 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -11.420 10.218 4.380 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -13.700 11.025 4.911 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.804 9.933 6.278 1.00 0.53 H new ATOM 1605 N ILE B 8 -12.890 6.159 4.813 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.277 4.987 5.650 1.00 0.38 C ATOM 1607 C ILE B 8 -12.026 4.264 6.135 1.00 0.34 C ATOM 1608 O ILE B 8 -11.066 4.091 5.410 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.123 4.021 4.823 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.384 4.737 4.318 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -14.517 2.820 5.686 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.506 4.631 5.356 1.00 1.17 C ATOM 0 H ILE B 8 -12.425 5.924 3.936 1.00 0.33 H new ATOM 0 HA ILE B 8 -13.852 5.338 6.507 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.544 3.675 3.967 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -15.161 5.785 4.119 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -15.708 4.296 3.375 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.121 2.130 5.096 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -13.618 2.310 6.032 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.093 3.163 6.545 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.394 5.143 4.985 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -16.740 3.581 5.533 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.184 5.094 6.289 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.051 3.834 7.359 1.00 0.32 N ATOM 1625 CA VAL B 9 -10.892 3.102 7.934 1.00 0.30 C ATOM 1626 C VAL B 9 -11.211 1.610 8.003 1.00 0.27 C ATOM 1627 O VAL B 9 -12.244 1.202 8.496 1.00 0.28 O ATOM 1628 CB VAL B 9 -10.603 3.627 9.336 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.556 2.741 10.009 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.075 5.060 9.240 1.00 1.27 C ATOM 0 H VAL B 9 -12.837 3.960 7.997 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.018 3.255 7.302 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.519 3.614 9.926 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.350 3.118 11.011 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -9.932 1.720 10.075 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.638 2.753 9.422 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -9.867 5.439 10.241 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.159 5.071 8.650 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -10.823 5.692 8.761 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.338 0.801 7.492 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.591 -0.664 7.501 1.00 0.22 C ATOM 1642 C VAL B 10 -10.051 -1.232 8.812 1.00 0.20 C ATOM 1643 O VAL B 10 -9.270 -0.591 9.489 1.00 0.21 O ATOM 1644 CB VAL B 10 -9.881 -1.293 6.292 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.517 -1.855 6.698 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.740 -2.418 5.715 1.00 0.37 C ATOM 0 H VAL B 10 -9.457 1.088 7.066 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.656 -0.885 7.430 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.733 -0.519 5.539 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.031 -2.296 5.827 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -7.895 -1.051 7.093 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.652 -2.619 7.464 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.232 -2.861 4.858 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.899 -3.181 6.477 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.702 -2.015 5.398 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.461 -2.418 9.188 1.00 0.19 N ATOM 1657 CA ARG B 11 -9.963 -3.001 10.467 1.00 0.20 C ATOM 1658 C ARG B 11 -9.641 -4.479 10.281 1.00 0.21 C ATOM 1659 O ARG B 11 -9.930 -5.075 9.263 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.017 -2.854 11.564 1.00 0.22 C ATOM 1661 CG ARG B 11 -12.003 -1.746 11.192 1.00 0.51 C ATOM 1662 CD ARG B 11 -12.943 -1.487 12.369 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.102 -0.669 11.910 1.00 1.28 N ATOM 1664 CZ ARG B 11 -13.932 0.588 11.603 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -12.747 1.128 11.695 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -14.946 1.306 11.202 1.00 2.37 N ATOM 0 H ARG B 11 -11.115 -3.003 8.667 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.060 -2.464 10.758 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.549 -3.796 11.698 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.536 -2.621 12.514 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.463 -0.834 10.936 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.576 -2.035 10.311 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.293 -2.432 12.783 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.411 -0.968 13.166 1.00 0.49 H new ATOM 0 HE ARG B 11 -15.027 -1.092 11.836 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -11.954 0.567 12.007 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -12.614 2.110 11.455 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -15.872 0.885 11.128 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -14.812 2.288 10.962 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.044 -5.065 11.272 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.688 -6.503 11.201 1.00 0.25 C ATOM 1682 C LYS B 12 -9.821 -7.309 11.808 1.00 0.25 C ATOM 1683 O LYS B 12 -9.857 -8.521 11.722 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.415 -6.752 12.009 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.597 -6.249 13.448 1.00 0.43 C ATOM 1686 CD LYS B 12 -7.867 -7.425 14.389 1.00 1.00 C ATOM 1687 CE LYS B 12 -7.908 -6.915 15.829 1.00 0.99 C ATOM 1688 NZ LYS B 12 -6.814 -7.553 16.614 1.00 1.75 N ATOM 0 H LYS B 12 -8.783 -4.602 12.143 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.525 -6.795 10.164 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -7.181 -7.817 12.014 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.573 -6.243 11.541 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -6.703 -5.714 13.770 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.425 -5.541 13.492 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -8.813 -7.902 14.132 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -7.089 -8.180 14.280 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -7.797 -5.831 15.845 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -8.874 -7.143 16.279 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -6.842 -7.206 17.594 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -6.939 -8.585 16.609 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -5.896 -7.314 16.188 1.00 1.75 H new ATOM 1702 N THR B 13 -10.748 -6.641 12.427 1.00 0.25 N ATOM 1703 CA THR B 13 -11.881 -7.362 13.050 1.00 0.36 C ATOM 1704 C THR B 13 -12.998 -7.510 12.027 1.00 0.49 C ATOM 1705 O THR B 13 -13.969 -8.203 12.257 1.00 0.91 O ATOM 1706 CB THR B 13 -12.398 -6.574 14.252 1.00 0.45 C ATOM 1707 OG1 THR B 13 -12.660 -5.234 13.861 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.352 -6.589 15.364 1.00 1.07 C ATOM 0 H THR B 13 -10.768 -5.626 12.528 1.00 0.25 H new ATOM 0 HA THR B 13 -11.548 -8.345 13.382 1.00 0.36 H new ATOM 0 HB THR B 13 -13.317 -7.032 14.618 1.00 0.45 H new ATOM 0 HG1 THR B 13 -12.993 -4.728 14.631 1.00 1.19 H new ATOM 0 HG21 THR B 13 -11.723 -6.026 16.220 1.00 1.07 H new ATOM 0 HG22 THR B 13 -11.155 -7.618 15.664 1.00 1.07 H new ATOM 0 HG23 THR B 13 -10.430 -6.133 15.003 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.848 -6.907 10.879 1.00 0.31 N ATOM 1717 CA LYS B 14 -13.881 -7.059 9.820 1.00 0.38 C ATOM 1718 C LYS B 14 -13.403 -8.144 8.861 1.00 0.44 C ATOM 1719 O LYS B 14 -12.952 -9.197 9.264 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.053 -5.745 9.044 1.00 0.41 C ATOM 1721 CG LYS B 14 -14.301 -4.563 9.990 1.00 0.68 C ATOM 1722 CD LYS B 14 -15.254 -4.959 11.120 1.00 0.90 C ATOM 1723 CE LYS B 14 -15.732 -3.709 11.868 1.00 1.34 C ATOM 1724 NZ LYS B 14 -15.440 -3.859 13.323 1.00 1.47 N ATOM 0 H LYS B 14 -12.054 -6.316 10.631 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.838 -7.322 10.271 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.161 -5.554 8.447 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.888 -5.838 8.349 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -13.354 -4.223 10.410 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -14.721 -3.727 9.431 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -16.109 -5.498 10.713 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -14.750 -5.635 11.811 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.232 -2.824 11.475 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.802 -3.566 11.713 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -15.457 -2.924 13.779 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -16.159 -4.470 13.760 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -14.500 -4.287 13.446 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.479 -7.880 7.592 1.00 0.41 N ATOM 1739 CA ASN B 15 -13.014 -8.875 6.593 1.00 0.31 C ATOM 1740 C ASN B 15 -12.941 -8.204 5.225 1.00 0.26 C ATOM 1741 O ASN B 15 -13.458 -7.124 5.024 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.992 -10.052 6.538 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.291 -11.323 7.025 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -12.460 -11.876 6.332 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -13.593 -11.812 8.197 1.00 1.21 N ATOM 0 H ASN B 15 -13.845 -7.012 7.200 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.029 -9.247 6.876 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.863 -9.844 7.159 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.353 -10.191 5.519 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -13.131 -12.658 8.531 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -14.290 -11.348 8.779 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.314 -8.837 4.278 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.227 -8.230 2.926 1.00 0.25 C ATOM 1754 C VAL B 16 -13.636 -8.187 2.344 1.00 0.24 C ATOM 1755 O VAL B 16 -14.037 -7.245 1.680 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.312 -9.075 2.036 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -10.055 -9.463 2.817 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -12.050 -10.344 1.601 1.00 0.45 C ATOM 0 H VAL B 16 -11.860 -9.745 4.381 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.812 -7.224 2.982 1.00 0.25 H new ATOM 0 HB VAL B 16 -11.031 -8.497 1.156 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.404 -10.065 2.183 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.527 -8.561 3.128 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.337 -10.040 3.698 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -11.398 -10.945 0.967 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -12.332 -10.921 2.482 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.946 -10.071 1.044 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.402 -9.196 2.631 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.798 -9.233 2.140 1.00 0.27 C ATOM 1770 C GLU B 17 -16.614 -8.243 2.948 1.00 0.28 C ATOM 1771 O GLU B 17 -17.474 -7.563 2.437 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.384 -10.629 2.341 1.00 0.37 C ATOM 1773 CG GLU B 17 -15.993 -11.529 1.172 1.00 0.79 C ATOM 1774 CD GLU B 17 -17.132 -11.575 0.151 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.902 -10.630 0.103 1.00 1.70 O ATOM 1776 OE2 GLU B 17 -17.216 -12.557 -0.567 1.00 1.53 O ATOM 0 H GLU B 17 -14.117 -10.001 3.189 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.821 -8.982 1.080 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -16.020 -11.054 3.276 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -17.470 -10.570 2.418 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -15.084 -11.154 0.701 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -15.774 -12.534 1.532 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.370 -8.173 4.221 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.146 -7.256 5.078 1.00 0.35 C ATOM 1785 C ASP B 18 -16.979 -5.797 4.651 1.00 0.32 C ATOM 1786 O ASP B 18 -17.907 -5.016 4.785 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.658 -7.428 6.511 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.542 -6.620 7.462 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -17.714 -5.437 7.220 1.00 1.46 O ATOM 1790 OD2 ASP B 18 -18.035 -7.201 8.415 1.00 1.19 O ATOM 0 H ASP B 18 -15.658 -8.719 4.706 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.205 -7.499 4.989 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -16.680 -8.482 6.788 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.623 -7.098 6.594 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.847 -5.384 4.123 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.718 -3.961 3.708 1.00 0.31 C ATOM 1797 C HIS B 19 -16.093 -3.840 2.236 1.00 0.27 C ATOM 1798 O HIS B 19 -16.436 -2.776 1.762 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.273 -3.499 3.905 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.067 -3.106 5.339 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.555 -1.915 5.858 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -13.424 -3.733 6.377 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.198 -1.861 7.155 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -13.510 -2.945 7.519 1.00 1.39 N ATOM 0 H HIS B 19 -15.024 -5.965 3.966 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.379 -3.339 4.312 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.584 -4.298 3.633 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.057 -2.655 3.250 1.00 0.35 H new ATOM 0 HD1 HIS B 19 -15.087 -1.209 5.349 1.00 1.21 H new ATOM 0 HD2 HIS B 19 -12.928 -4.690 6.316 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -14.438 -1.043 7.818 1.00 1.22 H new ATOM 1813 N VAL B 20 -16.105 -4.932 1.518 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.547 -4.842 0.105 1.00 0.22 C ATOM 1815 C VAL B 20 -18.046 -4.578 0.192 1.00 0.22 C ATOM 1816 O VAL B 20 -18.631 -3.868 -0.598 1.00 0.23 O ATOM 1817 CB VAL B 20 -16.232 -6.158 -0.639 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -17.483 -7.034 -0.774 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.701 -5.837 -2.037 1.00 0.34 C ATOM 0 H VAL B 20 -15.834 -5.860 1.843 1.00 0.23 H new ATOM 0 HA VAL B 20 -16.037 -4.058 -0.455 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.485 -6.703 -0.061 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -17.228 -7.953 -1.302 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.864 -7.279 0.217 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -18.247 -6.494 -1.333 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -15.478 -6.765 -2.564 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -16.453 -5.277 -2.592 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.793 -5.240 -1.953 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.642 -5.152 1.201 1.00 0.23 N ATOM 1830 CA LEU B 21 -20.095 -4.973 1.451 1.00 0.26 C ATOM 1831 C LEU B 21 -20.353 -3.531 1.880 1.00 0.26 C ATOM 1832 O LEU B 21 -21.195 -2.842 1.332 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.533 -5.896 2.589 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.624 -7.350 2.104 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.965 -8.258 3.286 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.718 -7.483 1.037 1.00 0.38 C ATOM 0 H LEU B 21 -18.168 -5.751 1.877 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.650 -5.207 0.542 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.824 -5.826 3.414 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.501 -5.574 2.973 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.666 -7.641 1.674 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -21.030 -9.291 2.944 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.187 -8.175 4.045 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.921 -7.956 3.713 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.774 -8.518 0.700 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.678 -7.187 1.461 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.481 -6.838 0.191 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.632 -3.060 2.860 1.00 0.27 N ATOM 1849 CA ASP B 22 -19.842 -1.660 3.320 1.00 0.30 C ATOM 1850 C ASP B 22 -19.409 -0.684 2.221 1.00 0.28 C ATOM 1851 O ASP B 22 -19.946 0.397 2.090 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.009 -1.410 4.579 1.00 0.33 C ATOM 1853 CG ASP B 22 -19.403 -0.065 5.192 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.434 -0.012 5.843 1.00 1.00 O ATOM 1855 OD2 ASP B 22 -18.666 0.888 5.002 1.00 1.21 O ATOM 0 H ASP B 22 -18.911 -3.581 3.359 1.00 0.27 H new ATOM 0 HA ASP B 22 -20.898 -1.507 3.542 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.170 -2.212 5.300 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -17.947 -1.412 4.332 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.431 -1.052 1.439 1.00 0.26 N ATOM 1861 CA VAL B 23 -17.958 -0.138 0.359 1.00 0.27 C ATOM 1862 C VAL B 23 -19.025 -0.030 -0.735 1.00 0.26 C ATOM 1863 O VAL B 23 -19.478 1.051 -1.067 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.654 -0.670 -0.241 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.310 0.137 -1.492 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.526 -0.522 0.782 1.00 0.30 C ATOM 0 H VAL B 23 -17.940 -1.944 1.500 1.00 0.26 H new ATOM 0 HA VAL B 23 -17.778 0.850 0.783 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.774 -1.721 -0.502 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.382 -0.238 -1.923 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.114 0.039 -2.221 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.188 1.187 -1.226 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.597 -0.900 0.356 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.405 0.530 1.040 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.772 -1.090 1.679 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.438 -1.135 -1.296 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.477 -1.069 -2.359 1.00 0.25 C ATOM 1878 C ILE B 24 -21.750 -0.464 -1.769 1.00 0.26 C ATOM 1879 O ILE B 24 -22.593 0.043 -2.481 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.763 -2.474 -2.908 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -21.681 -2.366 -4.128 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.444 -3.329 -1.839 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.752 -3.723 -4.832 1.00 0.69 C ATOM 0 H ILE B 24 -19.104 -2.071 -1.066 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.122 -0.446 -3.180 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.821 -2.942 -3.193 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -22.678 -2.051 -3.820 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -21.305 -1.607 -4.814 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.642 -4.323 -2.240 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -20.792 -3.412 -0.969 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.384 -2.863 -1.545 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -22.405 -3.648 -5.701 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.753 -4.019 -5.153 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -22.148 -4.470 -4.144 1.00 0.69 H new ATOM 1895 N VAL B 25 -21.892 -0.496 -0.470 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.107 0.099 0.150 1.00 0.30 C ATOM 1897 C VAL B 25 -23.033 1.624 0.034 1.00 0.30 C ATOM 1898 O VAL B 25 -24.007 2.279 -0.276 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.182 -0.297 1.624 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.063 0.702 2.377 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.785 -1.699 1.745 1.00 0.37 C ATOM 0 H VAL B 25 -21.223 -0.906 0.182 1.00 0.27 H new ATOM 0 HA VAL B 25 -23.995 -0.268 -0.364 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.180 -0.293 2.052 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.117 0.420 3.428 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -23.636 1.701 2.291 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.065 0.698 1.949 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -23.839 -1.982 2.796 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.787 -1.702 1.316 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.159 -2.412 1.209 1.00 0.37 H new ATOM 1911 N LEU B 26 -21.888 2.203 0.286 1.00 0.30 N ATOM 1912 CA LEU B 26 -21.752 3.685 0.193 1.00 0.32 C ATOM 1913 C LEU B 26 -21.941 4.132 -1.261 1.00 0.31 C ATOM 1914 O LEU B 26 -22.600 5.115 -1.547 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.351 4.062 0.672 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.361 4.241 2.191 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -18.979 3.909 2.757 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -20.720 5.688 2.537 1.00 1.15 C ATOM 0 H LEU B 26 -21.037 1.709 0.554 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.507 4.174 0.808 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -19.638 3.286 0.391 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.026 4.983 0.189 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.102 3.570 2.627 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -18.989 4.037 3.839 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -18.726 2.877 2.516 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -18.237 4.576 2.319 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -20.726 5.812 3.620 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -19.983 6.361 2.099 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -21.707 5.923 2.139 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.383 3.401 -2.180 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.557 3.767 -3.614 1.00 0.31 C ATOM 1932 C PHE B 27 -23.055 3.779 -3.898 1.00 0.32 C ATOM 1933 O PHE B 27 -23.553 4.519 -4.722 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.866 2.736 -4.504 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.512 2.736 -5.869 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -21.218 3.756 -6.783 1.00 1.37 C ATOM 1937 CD2 PHE B 27 -22.405 1.717 -6.221 1.00 1.18 C ATOM 1938 CE1 PHE B 27 -21.817 3.757 -8.047 1.00 1.46 C ATOM 1939 CE2 PHE B 27 -23.005 1.719 -7.487 1.00 1.22 C ATOM 1940 CZ PHE B 27 -22.710 2.739 -8.400 1.00 0.70 C ATOM 0 H PHE B 27 -20.817 2.571 -2.005 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.116 4.742 -3.820 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.805 2.969 -4.592 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.939 1.745 -4.055 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.529 4.542 -6.512 1.00 1.37 H new ATOM 0 HD2 PHE B 27 -22.631 0.930 -5.517 1.00 1.18 H new ATOM 0 HE1 PHE B 27 -21.590 4.544 -8.751 1.00 1.46 H new ATOM 0 HE2 PHE B 27 -23.695 0.934 -7.759 1.00 1.22 H new ATOM 0 HZ PHE B 27 -23.172 2.740 -9.376 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.766 2.958 -3.184 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.243 2.894 -3.353 1.00 0.34 C ATOM 1952 C ASN B 28 -25.834 4.278 -3.076 1.00 0.35 C ATOM 1953 O ASN B 28 -26.866 4.640 -3.606 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.830 1.884 -2.372 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.955 1.104 -3.053 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -28.114 1.295 -2.746 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -26.660 0.225 -3.973 1.00 0.97 N ATOM 0 H ASN B 28 -23.385 2.322 -2.484 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.483 2.584 -4.370 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.054 1.199 -2.031 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.212 2.398 -1.490 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -27.403 -0.301 -4.433 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -25.686 0.064 -4.231 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.187 5.057 -2.249 1.00 0.35 N ATOM 1965 CA GLN B 29 -25.714 6.416 -1.941 1.00 0.38 C ATOM 1966 C GLN B 29 -25.147 7.419 -2.945 1.00 0.39 C ATOM 1967 O GLN B 29 -25.454 8.594 -2.902 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.298 6.822 -0.526 1.00 0.39 C ATOM 1969 CG GLN B 29 -25.631 5.692 0.449 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.185 6.085 1.858 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -24.279 7.013 2.007 1.00 1.12 O flip ATOM 1972 NE2 GLN B 29 -25.665 5.544 2.834 1.00 1.17 N flip ATOM 0 H GLN B 29 -24.318 4.810 -1.775 1.00 0.35 H new ATOM 0 HA GLN B 29 -26.802 6.406 -2.008 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.230 7.038 -0.498 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -25.816 7.735 -0.231 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -26.702 5.492 0.438 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.132 4.773 0.141 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -26.373 4.819 2.719 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -25.360 5.815 3.769 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.318 6.962 -3.847 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.720 7.879 -4.860 1.00 0.38 C ATOM 1983 C GLY B 30 -22.266 8.178 -4.486 1.00 0.34 C ATOM 1984 O GLY B 30 -21.661 9.096 -5.001 1.00 0.36 O ATOM 0 H GLY B 30 -24.028 5.987 -3.925 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.765 7.424 -5.849 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.292 8.806 -4.909 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.699 7.408 -3.596 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.284 7.655 -3.202 1.00 0.29 C ATOM 1990 C ILE B 31 -19.367 7.091 -4.282 1.00 0.26 C ATOM 1991 O ILE B 31 -19.220 5.894 -4.426 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.013 6.987 -1.850 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -20.964 7.576 -0.786 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.559 7.212 -1.429 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -20.823 9.105 -0.700 1.00 0.59 C ATOM 0 H ILE B 31 -22.152 6.623 -3.128 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.095 8.724 -3.103 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.188 5.915 -1.941 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -21.994 7.316 -1.031 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -20.746 7.133 0.186 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.380 6.732 -0.467 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -17.893 6.783 -2.178 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.367 8.281 -1.342 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.505 9.491 0.058 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -19.798 9.361 -0.430 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.066 9.548 -1.666 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.739 7.949 -5.045 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.830 7.467 -6.114 1.00 0.27 C ATOM 2009 C ASP B 32 -16.398 7.380 -5.590 1.00 0.27 C ATOM 2010 O ASP B 32 -15.641 6.508 -5.975 1.00 0.29 O ATOM 2011 CB ASP B 32 -17.885 8.430 -7.303 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.317 8.501 -7.839 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -19.826 7.471 -8.250 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -19.879 9.583 -7.831 1.00 1.25 O ATOM 0 H ASP B 32 -18.820 8.963 -4.969 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.150 6.475 -6.432 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.551 9.421 -6.997 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.208 8.094 -8.088 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.013 8.307 -4.745 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.627 8.314 -4.210 1.00 0.28 C ATOM 2021 C GLU B 33 -14.587 7.746 -2.793 1.00 0.26 C ATOM 2022 O GLU B 33 -15.479 7.958 -1.998 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.094 9.745 -4.184 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.653 10.152 -5.592 1.00 0.60 C ATOM 2025 CD GLU B 33 -14.067 11.599 -5.858 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -13.903 12.414 -4.965 1.00 1.20 O ATOM 2027 OE2 GLU B 33 -14.538 11.869 -6.950 1.00 1.08 O ATOM 0 H GLU B 33 -16.609 9.062 -4.405 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.009 7.693 -4.858 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -14.865 10.425 -3.822 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.254 9.819 -3.493 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.572 10.048 -5.690 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.106 9.491 -6.331 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.546 7.028 -2.475 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.440 6.453 -1.102 1.00 0.24 C ATOM 2036 C VAL B 34 -11.975 6.212 -0.718 1.00 0.24 C ATOM 2037 O VAL B 34 -11.154 5.827 -1.536 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.225 5.135 -1.036 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.539 4.081 -1.895 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.289 4.644 0.413 1.00 0.35 C ATOM 0 H VAL B 34 -12.769 6.815 -3.100 1.00 0.25 H new ATOM 0 HA VAL B 34 -13.862 7.166 -0.393 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.235 5.305 -1.409 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.101 3.148 -1.844 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.498 4.424 -2.929 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.526 3.915 -1.528 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.847 3.709 0.456 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.278 4.481 0.787 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.788 5.392 1.029 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.661 6.444 0.539 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.265 6.238 1.040 1.00 0.21 C ATOM 2052 C ILE B 35 -10.246 5.116 2.080 1.00 0.21 C ATOM 2053 O ILE B 35 -10.934 5.172 3.079 1.00 0.23 O ATOM 2054 CB ILE B 35 -9.735 7.532 1.660 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.403 8.732 0.978 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.219 7.604 1.458 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.502 9.964 1.092 1.00 0.31 C ATOM 0 H ILE B 35 -12.322 6.771 1.244 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.625 5.959 0.203 1.00 0.21 H new ATOM 0 HB ILE B 35 -9.961 7.550 2.726 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.593 8.506 -0.071 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.369 8.933 1.441 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -7.837 8.525 1.898 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -7.747 6.748 1.940 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -7.993 7.591 0.392 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -9.983 10.813 0.605 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.334 10.196 2.144 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.546 9.762 0.608 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.450 4.101 1.847 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.364 2.966 2.815 1.00 0.26 C ATOM 2071 C LEU B 36 -8.073 3.066 3.623 1.00 0.24 C ATOM 2072 O LEU B 36 -6.988 3.051 3.077 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.383 1.636 2.065 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.811 1.082 2.073 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.758 2.093 1.424 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.863 -0.227 1.289 1.00 0.48 C ATOM 0 H LEU B 36 -8.854 4.011 1.024 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.220 3.017 3.488 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.039 1.776 1.040 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.701 0.928 2.536 1.00 0.30 H new ATOM 0 HG LEU B 36 -11.116 0.901 3.104 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.773 1.697 1.431 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.730 3.029 1.983 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.446 2.275 0.395 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.881 -0.616 1.298 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.552 -0.047 0.260 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -10.193 -0.953 1.749 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.188 3.154 4.921 1.00 0.23 N ATOM 2089 CA LYS B 37 -6.974 3.242 5.782 1.00 0.23 C ATOM 2090 C LYS B 37 -6.769 1.902 6.515 1.00 0.21 C ATOM 2091 O LYS B 37 -7.682 1.377 7.120 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.173 4.378 6.787 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.111 5.434 6.193 1.00 1.26 C ATOM 2094 CD LYS B 37 -7.859 6.780 6.877 1.00 1.50 C ATOM 2095 CE LYS B 37 -8.992 7.749 6.536 1.00 2.39 C ATOM 2096 NZ LYS B 37 -8.490 9.151 6.621 1.00 2.74 N ATOM 0 H LYS B 37 -9.075 3.169 5.424 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.090 3.445 5.177 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -7.591 3.987 7.715 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.212 4.829 7.035 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -7.944 5.522 5.119 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -9.149 5.133 6.330 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -7.796 6.644 7.957 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -6.904 7.192 6.551 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -9.369 7.546 5.533 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -9.825 7.607 7.224 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -9.260 9.810 6.389 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -8.151 9.340 7.586 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -7.708 9.281 5.947 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.576 1.346 6.462 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.333 0.034 7.162 1.00 0.22 C ATOM 2112 C GLY B 38 -3.923 -0.033 7.775 1.00 0.22 C ATOM 2113 O GLY B 38 -3.030 0.663 7.358 1.00 0.24 O ATOM 0 H GLY B 38 -4.770 1.736 5.973 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.077 -0.103 7.946 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.461 -0.785 6.454 1.00 0.22 H new ATOM 2117 N THR B 39 -3.735 -0.867 8.785 1.00 0.22 N ATOM 2118 CA THR B 39 -2.388 -0.959 9.447 1.00 0.25 C ATOM 2119 C THR B 39 -1.973 -2.404 9.760 1.00 0.23 C ATOM 2120 O THR B 39 -2.777 -3.241 10.092 1.00 0.20 O ATOM 2121 CB THR B 39 -2.412 -0.186 10.766 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.674 -0.366 11.394 1.00 0.29 O ATOM 2123 CG2 THR B 39 -2.179 1.297 10.505 1.00 0.49 C ATOM 0 H THR B 39 -4.451 -1.481 9.173 1.00 0.22 H new ATOM 0 HA THR B 39 -1.668 -0.539 8.744 1.00 0.25 H new ATOM 0 HB THR B 39 -1.622 -0.561 11.416 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.819 0.350 12.048 1.00 0.29 H new ATOM 0 HG21 THR B 39 -2.198 1.840 11.450 1.00 0.49 H new ATOM 0 HG22 THR B 39 -1.209 1.434 10.027 1.00 0.49 H new ATOM 0 HG23 THR B 39 -2.963 1.679 9.851 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.690 -2.667 9.668 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.144 -4.030 9.970 1.00 0.26 C ATOM 2133 C GLY B 40 -1.101 -5.114 9.474 1.00 0.25 C ATOM 2134 O GLY B 40 -0.955 -5.634 8.393 1.00 0.28 O ATOM 0 H GLY B 40 0.014 -1.982 9.392 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.829 -4.151 9.495 1.00 0.26 H new ATOM 0 HA3 GLY B 40 0.010 -4.137 11.044 1.00 0.26 H new ATOM 2138 N ARG B 41 -2.063 -5.472 10.273 1.00 0.23 N ATOM 2139 CA ARG B 41 -3.025 -6.532 9.858 1.00 0.24 C ATOM 2140 C ARG B 41 -4.091 -5.933 8.939 1.00 0.22 C ATOM 2141 O ARG B 41 -4.337 -6.431 7.859 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.697 -7.142 11.092 1.00 0.24 C ATOM 2143 CG ARG B 41 -3.780 -6.100 12.215 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.519 -6.152 13.089 1.00 0.94 C ATOM 2145 NE ARG B 41 -1.363 -6.662 12.297 1.00 1.74 N ATOM 2146 CZ ARG B 41 -0.194 -6.796 12.861 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -0.035 -6.479 14.116 1.00 2.10 N ATOM 2148 NH2 ARG B 41 0.817 -7.246 12.167 1.00 3.16 N ATOM 0 H ARG B 41 -2.227 -5.076 11.199 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.483 -7.312 9.323 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.697 -7.492 10.836 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.132 -8.010 11.432 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -3.893 -5.104 11.787 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -4.662 -6.286 12.827 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -2.294 -5.158 13.475 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.691 -6.797 13.951 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.486 -6.906 11.314 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -0.825 -6.126 14.657 1.00 2.10 H new ATOM 0 HH12 ARG B 41 0.879 -6.584 14.557 1.00 2.10 H new ATOM 0 HH21 ARG B 41 0.692 -7.492 11.185 1.00 3.16 H new ATOM 0 HH22 ARG B 41 1.731 -7.351 12.607 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.741 -4.882 9.357 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.798 -4.283 8.500 1.00 0.17 C ATOM 2164 C GLU B 42 -5.173 -3.755 7.214 1.00 0.18 C ATOM 2165 O GLU B 42 -5.848 -3.553 6.223 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.492 -3.124 9.227 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.868 -2.887 10.609 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.664 -1.819 11.360 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -6.716 -0.698 10.879 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -7.208 -2.138 12.405 1.00 1.38 O ATOM 0 H GLU B 42 -4.586 -4.415 10.251 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.535 -5.053 8.272 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.414 -2.216 8.629 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.554 -3.343 9.337 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.860 -3.816 11.179 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.830 -2.571 10.500 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.891 -3.533 7.206 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.240 -3.028 5.971 1.00 0.23 C ATOM 2179 C ILE B 43 -3.533 -3.979 4.802 1.00 0.26 C ATOM 2180 O ILE B 43 -3.610 -3.567 3.663 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.726 -2.966 6.207 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.099 -1.932 5.278 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -1.112 -4.330 5.913 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.410 -1.870 5.525 1.00 0.85 C ATOM 0 H ILE B 43 -3.267 -3.679 8.000 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.626 -2.038 5.729 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.538 -2.687 7.244 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.297 -2.194 4.239 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.547 -0.953 5.451 1.00 0.34 H new ATOM 0 HG21 ILE B 43 -0.036 -4.288 6.080 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.553 -5.077 6.573 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.308 -4.601 4.876 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.857 -1.131 4.861 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.598 -1.588 6.561 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.851 -2.847 5.330 1.00 0.85 H new ATOM 2196 N SER B 44 -3.678 -5.253 5.071 1.00 0.27 N ATOM 2197 CA SER B 44 -3.941 -6.225 3.969 1.00 0.31 C ATOM 2198 C SER B 44 -5.427 -6.210 3.652 1.00 0.30 C ATOM 2199 O SER B 44 -5.842 -6.489 2.544 1.00 0.32 O ATOM 2200 CB SER B 44 -3.521 -7.629 4.407 1.00 0.36 C ATOM 2201 OG SER B 44 -2.914 -7.559 5.690 1.00 1.12 O ATOM 0 H SER B 44 -3.625 -5.660 6.005 1.00 0.27 H new ATOM 0 HA SER B 44 -3.369 -5.946 3.084 1.00 0.31 H new ATOM 0 HB2 SER B 44 -4.389 -8.288 4.438 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.824 -8.054 3.685 1.00 0.36 H new ATOM 0 HG SER B 44 -2.645 -8.458 5.974 1.00 1.12 H new ATOM 2207 N LYS B 45 -6.225 -5.826 4.600 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.672 -5.733 4.314 1.00 0.26 C ATOM 2209 C LYS B 45 -7.815 -4.629 3.272 1.00 0.25 C ATOM 2210 O LYS B 45 -8.116 -4.885 2.125 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.450 -5.391 5.589 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.727 -6.673 6.384 1.00 0.40 C ATOM 2213 CD LYS B 45 -7.436 -7.479 6.542 1.00 0.91 C ATOM 2214 CE LYS B 45 -7.588 -8.464 7.704 1.00 0.81 C ATOM 2215 NZ LYS B 45 -6.865 -9.727 7.382 1.00 1.87 N ATOM 0 H LYS B 45 -5.942 -5.576 5.548 1.00 0.26 H new ATOM 0 HA LYS B 45 -8.075 -6.677 3.948 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.879 -4.690 6.198 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.389 -4.900 5.333 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -9.132 -6.423 7.365 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -9.480 -7.273 5.872 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -7.216 -8.018 5.621 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -6.597 -6.809 6.727 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -7.189 -8.027 8.620 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -8.643 -8.672 7.883 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -6.968 -10.397 8.171 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -7.265 -10.146 6.518 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -5.857 -9.521 7.232 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.600 -3.404 3.686 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.709 -2.230 2.758 1.00 0.21 C ATOM 2231 C ALA B 46 -7.290 -2.628 1.334 1.00 0.19 C ATOM 2232 O ALA B 46 -7.885 -2.209 0.362 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.801 -1.105 3.256 1.00 0.26 C ATOM 0 H ALA B 46 -7.349 -3.162 4.645 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.745 -1.893 2.739 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -6.878 -0.251 2.584 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.108 -0.807 4.259 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.769 -1.455 3.281 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.261 -3.419 1.205 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.805 -3.837 -0.156 1.00 0.18 C ATOM 2241 C VAL B 47 -6.701 -4.961 -0.687 1.00 0.18 C ATOM 2242 O VAL B 47 -7.388 -4.805 -1.677 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.357 -4.336 -0.097 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.919 -4.803 -1.488 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.450 -3.196 0.352 1.00 0.27 C ATOM 0 H VAL B 47 -5.715 -3.795 1.980 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.866 -2.976 -0.821 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.288 -5.165 0.607 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.889 -5.158 -1.445 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.568 -5.613 -1.821 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.987 -3.971 -2.189 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.419 -3.547 0.395 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.523 -2.372 -0.357 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.758 -2.853 1.340 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.685 -6.096 -0.044 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.519 -7.243 -0.513 1.00 0.23 C ATOM 2257 C ASP B 48 -8.925 -6.757 -0.862 1.00 0.26 C ATOM 2258 O ASP B 48 -9.428 -6.997 -1.940 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.615 -8.294 0.595 1.00 0.24 C ATOM 2260 CG ASP B 48 -7.949 -9.654 -0.018 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -8.989 -9.758 -0.650 1.00 1.08 O ATOM 2262 OD2 ASP B 48 -7.160 -10.569 0.152 1.00 1.25 O ATOM 0 H ASP B 48 -6.128 -6.281 0.790 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.055 -7.679 -1.398 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.672 -8.351 1.140 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.382 -8.010 1.315 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.560 -6.077 0.046 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.932 -5.581 -0.235 1.00 0.32 C ATOM 2269 C VAL B 49 -10.911 -4.741 -1.509 1.00 0.31 C ATOM 2270 O VAL B 49 -11.739 -4.910 -2.378 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.431 -4.742 0.938 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -10.609 -3.467 1.043 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -12.907 -4.388 0.734 1.00 0.96 C ATOM 0 H VAL B 49 -9.191 -5.843 0.968 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.606 -6.427 -0.371 1.00 0.32 H new ATOM 0 HB VAL B 49 -11.325 -5.316 1.858 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -10.968 -2.871 1.882 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -9.561 -3.722 1.201 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -10.708 -2.894 0.121 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -13.257 -3.789 1.575 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -13.021 -3.819 -0.189 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -13.495 -5.303 0.671 1.00 0.96 H new ATOM 2283 N TYR B 50 -9.970 -3.842 -1.643 1.00 0.33 N ATOM 2284 CA TYR B 50 -9.917 -3.014 -2.874 1.00 0.36 C ATOM 2285 C TYR B 50 -9.676 -3.915 -4.070 1.00 0.32 C ATOM 2286 O TYR B 50 -10.427 -3.910 -5.025 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.772 -2.013 -2.768 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.004 -1.969 -4.071 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -8.446 -1.150 -5.118 1.00 1.93 C ATOM 2290 CD2 TYR B 50 -6.850 -2.745 -4.232 1.00 2.17 C ATOM 2291 CE1 TYR B 50 -7.736 -1.109 -6.323 1.00 2.76 C ATOM 2292 CE2 TYR B 50 -6.140 -2.705 -5.439 1.00 3.03 C ATOM 2293 CZ TYR B 50 -6.583 -1.886 -6.485 1.00 3.13 C ATOM 2294 OH TYR B 50 -5.883 -1.846 -7.673 1.00 4.11 O ATOM 0 H TYR B 50 -9.242 -3.650 -0.955 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.860 -2.480 -2.993 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.163 -1.023 -2.533 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.106 -2.294 -1.952 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -9.335 -0.550 -4.995 1.00 1.93 H new ATOM 0 HD2 TYR B 50 -6.507 -3.375 -3.425 1.00 2.17 H new ATOM 0 HE1 TYR B 50 -8.078 -0.477 -7.129 1.00 2.76 H new ATOM 0 HE2 TYR B 50 -5.251 -3.306 -5.563 1.00 3.03 H new ATOM 0 HH TYR B 50 -5.109 -2.444 -7.617 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.635 -4.700 -4.035 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.381 -5.593 -5.187 1.00 0.30 C ATOM 2306 C ASN B 51 -9.651 -6.397 -5.424 1.00 0.29 C ATOM 2307 O ASN B 51 -10.136 -6.513 -6.532 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.210 -6.526 -4.882 1.00 0.31 C ATOM 2309 CG ASN B 51 -6.985 -7.455 -6.075 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -7.654 -8.462 -6.210 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -6.069 -7.158 -6.956 1.00 1.19 N ATOM 0 H ASN B 51 -7.963 -4.758 -3.270 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.122 -5.015 -6.074 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.309 -5.946 -4.683 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.418 -7.110 -3.985 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -5.914 -7.770 -7.757 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -5.508 -6.314 -6.843 1.00 1.19 H new ATOM 2318 N SER B 52 -10.197 -6.948 -4.378 1.00 0.29 N ATOM 2319 CA SER B 52 -11.440 -7.738 -4.543 1.00 0.31 C ATOM 2320 C SER B 52 -12.563 -6.813 -5.037 1.00 0.29 C ATOM 2321 O SER B 52 -13.448 -7.227 -5.759 1.00 0.33 O ATOM 2322 CB SER B 52 -11.867 -8.374 -3.229 1.00 0.34 C ATOM 2323 OG SER B 52 -10.725 -8.882 -2.553 1.00 0.65 O ATOM 0 H SER B 52 -9.838 -6.885 -3.425 1.00 0.29 H new ATOM 0 HA SER B 52 -11.249 -8.531 -5.266 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.374 -7.638 -2.605 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.579 -9.178 -3.417 1.00 0.34 H new ATOM 0 HG SER B 52 -10.305 -8.164 -2.035 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.535 -5.558 -4.651 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.591 -4.607 -5.091 1.00 0.27 C ATOM 2331 C LEU B 53 -13.385 -4.250 -6.570 1.00 0.27 C ATOM 2332 O LEU B 53 -14.321 -3.930 -7.277 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.496 -3.325 -4.254 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.698 -2.409 -4.549 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -15.941 -2.873 -3.780 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.355 -0.978 -4.140 1.00 0.38 C ATOM 0 H LEU B 53 -11.819 -5.155 -4.046 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.569 -5.070 -4.959 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.471 -3.575 -3.193 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.567 -2.802 -4.480 1.00 0.27 H new ATOM 0 HG LEU B 53 -14.914 -2.453 -5.616 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.777 -2.210 -4.005 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.195 -3.890 -4.078 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -15.737 -2.849 -2.710 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.204 -0.327 -4.348 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.127 -0.949 -3.074 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.488 -0.636 -4.706 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.195 -4.385 -7.084 1.00 0.28 N ATOM 2349 CA LYS B 54 -12.003 -4.096 -8.529 1.00 0.32 C ATOM 2350 C LYS B 54 -12.409 -5.357 -9.279 1.00 0.34 C ATOM 2351 O LYS B 54 -12.936 -5.321 -10.375 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.533 -3.679 -8.779 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.694 -4.781 -9.452 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.905 -4.753 -10.969 1.00 0.49 C ATOM 2355 CE LYS B 54 -8.944 -3.742 -11.605 1.00 0.49 C ATOM 2356 NZ LYS B 54 -7.662 -4.421 -11.946 1.00 0.99 N ATOM 0 H LYS B 54 -11.361 -4.678 -6.575 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.614 -3.264 -8.880 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.517 -2.787 -9.405 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -10.072 -3.410 -7.829 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -8.638 -4.637 -9.221 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -9.976 -5.756 -9.056 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.735 -5.745 -11.388 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.936 -4.483 -11.198 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.391 -3.314 -12.502 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.759 -2.917 -10.917 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.010 -3.735 -12.377 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.234 -4.809 -11.081 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -7.846 -5.193 -12.618 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.211 -6.468 -8.639 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.609 -7.771 -9.217 1.00 0.47 C ATOM 2372 C ASP B 55 -14.084 -7.703 -9.533 1.00 0.47 C ATOM 2373 O ASP B 55 -14.630 -8.539 -10.226 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.396 -8.844 -8.156 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.362 -9.864 -8.634 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -10.399 -9.456 -9.262 1.00 1.23 O ATOM 2377 OD2 ASP B 55 -11.551 -11.039 -8.363 1.00 1.46 O ATOM 0 H ASP B 55 -11.779 -6.528 -7.717 1.00 0.41 H new ATOM 0 HA ASP B 55 -12.029 -7.997 -10.112 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -12.061 -8.384 -7.226 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.340 -9.346 -7.942 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.741 -6.720 -8.998 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.191 -6.605 -9.229 1.00 0.44 C ATOM 2384 C ARG B 56 -16.445 -6.181 -10.665 1.00 0.43 C ATOM 2385 O ARG B 56 -17.279 -6.748 -11.340 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.770 -5.576 -8.263 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.302 -5.895 -6.836 1.00 0.50 C ATOM 2388 CD ARG B 56 -16.978 -7.163 -6.315 1.00 0.64 C ATOM 2389 NE ARG B 56 -17.672 -6.871 -5.025 1.00 1.01 N ATOM 2390 CZ ARG B 56 -18.948 -6.572 -5.004 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -19.626 -6.457 -6.114 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -19.545 -6.374 -3.862 1.00 1.71 N ATOM 0 H ARG B 56 -14.332 -5.993 -8.411 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.672 -7.568 -9.058 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.449 -4.574 -8.547 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.859 -5.588 -8.311 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.220 -6.023 -6.823 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.532 -5.058 -6.177 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -17.694 -7.532 -7.049 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -16.236 -7.949 -6.170 1.00 0.64 H new ATOM 0 HE ARG B 56 -17.147 -6.905 -4.151 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -19.163 -6.600 -7.012 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -20.619 -6.224 -6.084 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -19.019 -6.452 -2.991 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.538 -6.141 -3.839 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.755 -5.185 -11.143 1.00 0.41 N ATOM 2407 CA LEU B 57 -16.021 -4.760 -12.542 1.00 0.48 C ATOM 2408 C LEU B 57 -14.824 -4.058 -13.181 1.00 0.43 C ATOM 2409 O LEU B 57 -14.779 -3.923 -14.385 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.225 -3.821 -12.556 1.00 0.58 C ATOM 2411 CG LEU B 57 -18.399 -4.505 -13.262 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -19.650 -3.641 -13.120 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.068 -4.681 -14.746 1.00 1.77 C ATOM 0 H LEU B 57 -15.038 -4.660 -10.642 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.219 -5.658 -13.127 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.505 -3.556 -11.536 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.970 -2.893 -13.068 1.00 0.58 H new ATOM 0 HG LEU B 57 -18.577 -5.481 -12.810 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -20.487 -4.127 -13.622 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -19.886 -3.513 -12.064 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.472 -2.666 -13.573 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -18.903 -5.168 -15.250 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -17.891 -3.705 -15.198 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -17.174 -5.296 -14.849 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.845 -3.626 -12.427 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.676 -2.950 -13.066 1.00 0.36 C ATOM 2427 C GLY B 58 -13.119 -1.645 -13.733 1.00 0.35 C ATOM 2428 O GLY B 58 -12.611 -0.582 -13.435 1.00 0.35 O ATOM 0 H GLY B 58 -13.804 -3.710 -11.411 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.912 -2.743 -12.316 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.225 -3.610 -13.807 1.00 0.36 H new ATOM 2432 N ASP B 59 -14.050 -1.719 -14.640 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.517 -0.492 -15.339 1.00 0.44 C ATOM 2434 C ASP B 59 -15.327 0.381 -14.382 1.00 0.38 C ATOM 2435 O ASP B 59 -15.161 1.580 -14.340 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.393 -0.895 -16.525 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.839 -0.268 -17.806 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -13.699 -0.548 -18.134 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -15.567 0.481 -18.437 1.00 1.11 O ATOM 0 H ASP B 59 -14.510 -2.582 -14.929 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.654 0.074 -15.689 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.418 -1.981 -16.620 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.419 -0.566 -16.361 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.206 -0.204 -13.619 1.00 0.34 N ATOM 2445 CA GLY B 60 -17.024 0.601 -12.677 1.00 0.31 C ATOM 2446 C GLY B 60 -16.234 0.831 -11.398 1.00 0.29 C ATOM 2447 O GLY B 60 -16.794 1.037 -10.342 1.00 0.28 O ATOM 0 H GLY B 60 -16.392 -1.207 -13.608 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.289 1.556 -13.131 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.957 0.084 -12.454 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.935 0.800 -11.483 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.098 1.016 -10.279 1.00 0.28 C ATOM 2453 C VAL B 61 -12.740 1.549 -10.737 1.00 0.30 C ATOM 2454 O VAL B 61 -12.183 1.079 -11.709 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.894 -0.312 -9.545 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.721 -0.173 -8.576 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -15.156 -0.680 -8.759 1.00 0.39 C ATOM 0 H VAL B 61 -14.415 0.632 -12.345 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.584 1.723 -9.606 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.687 -1.096 -10.274 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.570 -1.116 -8.050 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.818 0.081 -9.132 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.937 0.615 -7.854 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.999 -1.626 -8.241 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.371 0.101 -8.030 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -15.997 -0.777 -9.446 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.230 2.553 -10.077 1.00 0.28 N ATOM 2468 CA GLN B 62 -10.937 3.144 -10.513 1.00 0.30 C ATOM 2469 C GLN B 62 -10.044 3.528 -9.333 1.00 0.29 C ATOM 2470 O GLN B 62 -10.491 3.823 -8.247 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.233 4.400 -11.312 1.00 0.31 C ATOM 2472 CG GLN B 62 -11.068 4.114 -12.797 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.581 4.041 -13.143 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.779 4.767 -12.589 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -9.173 3.187 -14.043 1.00 1.42 N ATOM 0 H GLN B 62 -12.653 2.987 -9.257 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.409 2.396 -11.105 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.248 4.741 -11.108 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.560 5.202 -11.009 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.558 3.175 -13.053 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.550 4.896 -13.384 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.845 2.577 -14.509 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -8.183 3.130 -14.280 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.771 3.548 -9.594 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.764 3.934 -8.566 1.00 0.33 C ATOM 2486 C LEU B 63 -7.432 5.415 -8.752 1.00 0.34 C ATOM 2487 O LEU B 63 -6.876 5.792 -9.766 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.502 3.091 -8.777 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.441 3.448 -7.729 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.750 2.170 -7.244 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.386 4.373 -8.347 1.00 0.52 C ATOM 0 H LEU B 63 -8.373 3.307 -10.502 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.150 3.765 -7.561 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.749 2.032 -8.708 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.106 3.262 -9.778 1.00 0.36 H new ATOM 0 HG LEU B 63 -5.927 3.952 -6.893 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -3.996 2.424 -6.499 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.489 1.503 -6.799 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.273 1.672 -8.088 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.636 4.622 -7.596 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -3.906 3.869 -9.186 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -4.865 5.287 -8.699 1.00 0.52 H new ATOM 2503 N VAL B 64 -7.763 6.257 -7.801 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.453 7.712 -7.963 1.00 0.37 C ATOM 2505 C VAL B 64 -6.285 8.126 -7.050 1.00 0.36 C ATOM 2506 O VAL B 64 -5.704 9.175 -7.241 1.00 0.41 O ATOM 2507 CB VAL B 64 -8.702 8.577 -7.688 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.509 8.037 -6.507 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -8.278 10.018 -7.389 1.00 1.43 C ATOM 0 H VAL B 64 -8.229 6.003 -6.930 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.151 7.880 -8.997 1.00 0.37 H new ATOM 0 HB VAL B 64 -9.331 8.546 -8.578 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.381 8.670 -6.342 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.835 7.020 -6.724 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -8.887 8.035 -5.612 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -9.163 10.625 -7.196 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -7.630 10.032 -6.513 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -7.740 10.424 -8.245 1.00 1.43 H new ATOM 2519 N ASN B 65 -5.891 7.320 -6.087 1.00 0.32 N ATOM 2520 CA ASN B 65 -4.720 7.725 -5.237 1.00 0.34 C ATOM 2521 C ASN B 65 -4.388 6.629 -4.217 1.00 0.30 C ATOM 2522 O ASN B 65 -5.248 5.891 -3.786 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.054 9.010 -4.495 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.198 10.154 -5.040 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -2.985 10.098 -4.990 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -4.780 11.198 -5.562 1.00 1.09 N ATOM 0 H ASN B 65 -6.317 6.422 -5.857 1.00 0.32 H new ATOM 0 HA ASN B 65 -3.857 7.879 -5.885 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.112 9.246 -4.613 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -4.873 8.883 -3.428 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -4.217 11.966 -5.928 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -5.798 11.246 -5.605 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.136 6.534 -3.820 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.721 5.497 -2.821 1.00 0.26 C ATOM 2535 C VAL B 66 -1.413 5.935 -2.147 1.00 0.27 C ATOM 2536 O VAL B 66 -0.494 6.394 -2.798 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.465 4.151 -3.519 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.042 3.109 -2.480 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.727 3.651 -4.229 1.00 0.66 C ATOM 0 H VAL B 66 -2.381 7.136 -4.149 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.519 5.387 -2.087 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.677 4.296 -4.258 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.861 2.155 -2.975 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.130 3.440 -1.984 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.834 2.990 -1.741 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.518 2.698 -4.714 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.527 3.520 -3.500 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.036 4.380 -4.979 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.327 5.804 -0.844 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.076 6.224 -0.138 1.00 0.28 C ATOM 2551 C GLN B 67 0.246 5.298 1.033 1.00 0.25 C ATOM 2552 O GLN B 67 -0.597 4.586 1.542 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.238 7.647 0.397 1.00 0.29 C ATOM 2554 CG GLN B 67 1.102 8.143 0.952 1.00 0.37 C ATOM 2555 CD GLN B 67 1.047 9.662 1.131 1.00 0.64 C ATOM 2556 OE1 GLN B 67 0.457 10.153 2.072 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.642 10.431 0.262 1.00 1.44 N ATOM 0 H GLN B 67 -2.062 5.428 -0.244 1.00 0.25 H new ATOM 0 HA GLN B 67 0.741 6.175 -0.858 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -0.581 8.309 -0.398 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -0.997 7.668 1.179 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.314 7.661 1.906 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.911 7.875 0.273 1.00 0.37 H new ATOM 0 HE21 GLN B 67 2.138 10.019 -0.529 1.00 1.44 H new ATOM 0 HE22 GLN B 67 1.612 11.445 0.373 1.00 1.44 H new ATOM 2566 N THR B 68 1.485 5.325 1.446 1.00 0.26 N ATOM 2567 CA THR B 68 1.944 4.477 2.582 1.00 0.26 C ATOM 2568 C THR B 68 2.429 5.383 3.717 1.00 0.25 C ATOM 2569 O THR B 68 2.704 6.548 3.515 1.00 0.33 O ATOM 2570 CB THR B 68 3.094 3.581 2.099 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.970 4.347 1.286 1.00 0.42 O ATOM 2572 CG2 THR B 68 2.549 2.405 1.284 1.00 0.45 C ATOM 0 H THR B 68 2.212 5.911 1.035 1.00 0.26 H new ATOM 0 HA THR B 68 1.126 3.854 2.944 1.00 0.26 H new ATOM 0 HB THR B 68 3.629 3.192 2.966 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.764 4.595 1.804 1.00 0.42 H new ATOM 0 HG21 THR B 68 3.377 1.780 0.949 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.875 1.814 1.904 1.00 0.45 H new ATOM 0 HG23 THR B 68 2.006 2.783 0.418 1.00 0.45 H new ATOM 2580 N GLY B 69 2.563 4.853 4.906 1.00 0.24 N ATOM 2581 CA GLY B 69 3.067 5.679 6.046 1.00 0.28 C ATOM 2582 C GLY B 69 3.076 4.838 7.331 1.00 0.26 C ATOM 2583 O GLY B 69 2.134 4.156 7.617 1.00 0.29 O ATOM 0 H GLY B 69 2.345 3.884 5.137 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.072 6.040 5.829 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.435 6.557 6.179 1.00 0.28 H new ATOM 2587 N SER B 70 4.120 4.876 8.109 1.00 0.24 N ATOM 2588 CA SER B 70 4.126 4.081 9.374 1.00 0.25 C ATOM 2589 C SER B 70 3.605 4.947 10.525 1.00 0.29 C ATOM 2590 O SER B 70 3.646 6.160 10.466 1.00 0.31 O ATOM 2591 CB SER B 70 5.544 3.621 9.693 1.00 0.27 C ATOM 2592 OG SER B 70 6.396 4.755 9.778 1.00 0.39 O ATOM 0 H SER B 70 4.965 5.418 7.929 1.00 0.24 H new ATOM 0 HA SER B 70 3.484 3.209 9.249 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.557 3.070 10.633 1.00 0.27 H new ATOM 0 HB3 SER B 70 5.901 2.940 8.920 1.00 0.27 H new ATOM 0 HG SER B 70 6.927 4.827 8.958 1.00 0.39 H new ATOM 2598 N GLU B 71 3.096 4.336 11.565 1.00 0.32 N ATOM 2599 CA GLU B 71 2.556 5.139 12.703 1.00 0.39 C ATOM 2600 C GLU B 71 2.698 4.357 14.013 1.00 0.40 C ATOM 2601 O GLU B 71 2.942 3.166 14.012 1.00 0.37 O ATOM 2602 CB GLU B 71 1.083 5.479 12.398 1.00 0.40 C ATOM 2603 CG GLU B 71 0.079 4.632 13.211 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.215 5.319 14.540 1.00 0.68 C ATOM 2605 OE1 GLU B 71 0.523 6.217 14.902 1.00 1.49 O ATOM 2606 OE2 GLU B 71 -1.192 4.944 15.169 1.00 1.26 O ATOM 0 H GLU B 71 3.031 3.324 11.675 1.00 0.32 H new ATOM 0 HA GLU B 71 3.117 6.066 12.820 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.910 6.535 12.607 1.00 0.40 H new ATOM 0 HB3 GLU B 71 0.896 5.330 11.335 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.844 4.502 12.646 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.487 3.637 13.387 1.00 0.49 H new ATOM 2613 N VAL B 72 2.567 5.019 15.130 1.00 0.45 N ATOM 2614 CA VAL B 72 2.720 4.310 16.427 1.00 0.49 C ATOM 2615 C VAL B 72 1.378 3.741 16.881 1.00 0.52 C ATOM 2616 O VAL B 72 0.362 4.397 16.839 1.00 0.71 O ATOM 2617 CB VAL B 72 3.253 5.270 17.493 1.00 0.59 C ATOM 2618 CG1 VAL B 72 4.616 4.780 17.985 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.401 6.674 16.901 1.00 0.87 C ATOM 0 H VAL B 72 2.362 6.016 15.198 1.00 0.45 H new ATOM 0 HA VAL B 72 3.428 3.492 16.292 1.00 0.49 H new ATOM 0 HB VAL B 72 2.552 5.303 18.327 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.996 5.464 18.744 1.00 0.56 H new ATOM 0 HG12 VAL B 72 4.511 3.783 18.414 1.00 0.56 H new ATOM 0 HG13 VAL B 72 5.313 4.744 17.148 1.00 0.56 H new ATOM 0 HG21 VAL B 72 3.781 7.353 17.665 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.098 6.644 16.063 1.00 0.87 H new ATOM 0 HG23 VAL B 72 2.430 7.026 16.553 1.00 0.87 H new ATOM 2629 N ARG B 73 1.378 2.527 17.353 1.00 0.47 N ATOM 2630 CA ARG B 73 0.111 1.919 17.831 1.00 0.50 C ATOM 2631 C ARG B 73 0.404 0.957 18.977 1.00 0.54 C ATOM 2632 O ARG B 73 0.866 -0.146 18.767 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.543 1.157 16.690 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.036 1.011 16.975 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.691 0.194 15.866 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.172 0.297 15.995 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.950 -0.341 15.164 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.434 -1.075 14.217 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.246 -0.245 15.283 1.00 1.68 N ATOM 0 H ARG B 73 2.202 1.931 17.428 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.558 2.705 18.180 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.390 1.685 15.749 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.083 0.175 16.582 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.187 0.523 17.938 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.502 1.994 17.040 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.372 0.561 14.890 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.379 -0.848 15.932 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.579 0.868 16.736 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.421 -1.151 14.125 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -5.044 -1.573 13.568 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.649 0.328 16.024 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -6.856 -0.743 14.635 1.00 1.68 H new ATOM 2653 N ASP B 74 0.152 1.396 20.184 1.00 0.59 N ATOM 2654 CA ASP B 74 0.412 0.561 21.393 1.00 0.65 C ATOM 2655 C ASP B 74 1.866 0.752 21.816 1.00 0.65 C ATOM 2656 O ASP B 74 2.520 -0.169 22.266 1.00 0.67 O ATOM 2657 CB ASP B 74 0.147 -0.917 21.099 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.291 -1.624 22.383 1.00 0.76 C ATOM 2659 OD1 ASP B 74 0.180 -1.236 23.440 1.00 1.35 O ATOM 2660 OD2 ASP B 74 -1.089 -2.542 22.289 1.00 1.25 O ATOM 0 H ASP B 74 -0.232 2.319 20.385 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.257 0.872 22.195 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.626 -1.014 20.337 1.00 0.66 H new ATOM 0 HB3 ASP B 74 1.047 -1.387 20.702 1.00 0.66 H new ATOM 2665 N ARG B 75 2.381 1.943 21.641 1.00 0.64 N ATOM 2666 CA ARG B 75 3.802 2.228 22.001 1.00 0.66 C ATOM 2667 C ARG B 75 4.710 1.396 21.097 1.00 0.60 C ATOM 2668 O ARG B 75 5.775 0.954 21.482 1.00 0.65 O ATOM 2669 CB ARG B 75 4.063 1.921 23.485 1.00 0.75 C ATOM 2670 CG ARG B 75 4.111 3.232 24.273 1.00 0.85 C ATOM 2671 CD ARG B 75 2.829 4.027 24.015 1.00 0.86 C ATOM 2672 NE ARG B 75 2.365 4.651 25.286 1.00 1.19 N ATOM 2673 CZ ARG B 75 1.681 3.949 26.149 1.00 1.81 C ATOM 2674 NH1 ARG B 75 1.404 2.699 25.898 1.00 2.57 N ATOM 2675 NH2 ARG B 75 1.277 4.498 27.262 1.00 2.18 N ATOM 0 H ARG B 75 1.870 2.739 21.259 1.00 0.64 H new ATOM 0 HA ARG B 75 4.014 3.287 21.851 1.00 0.66 H new ATOM 0 HB2 ARG B 75 3.277 1.276 23.878 1.00 0.75 H new ATOM 0 HB3 ARG B 75 5.004 1.382 23.597 1.00 0.75 H new ATOM 0 HG2 ARG B 75 4.216 3.025 25.338 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.981 3.817 23.975 1.00 0.85 H new ATOM 0 HD2 ARG B 75 3.011 4.797 23.265 1.00 0.86 H new ATOM 0 HD3 ARG B 75 2.056 3.370 23.617 1.00 0.86 H new ATOM 0 HE ARG B 75 2.582 5.628 25.482 1.00 1.19 H new ATOM 0 HH11 ARG B 75 1.722 2.271 25.028 1.00 2.57 H new ATOM 0 HH12 ARG B 75 0.870 2.150 26.571 1.00 2.57 H new ATOM 0 HH21 ARG B 75 1.496 5.475 27.457 1.00 2.18 H new ATOM 0 HH22 ARG B 75 0.743 3.950 27.936 1.00 2.18 H new ATOM 2689 N ARG B 76 4.292 1.204 19.879 1.00 0.50 N ATOM 2690 CA ARG B 76 5.109 0.426 18.912 1.00 0.44 C ATOM 2691 C ARG B 76 4.778 0.901 17.504 1.00 0.40 C ATOM 2692 O ARG B 76 3.687 1.363 17.236 1.00 0.39 O ATOM 2693 CB ARG B 76 4.764 -1.061 18.983 1.00 0.45 C ATOM 2694 CG ARG B 76 5.620 -1.804 20.023 1.00 0.62 C ATOM 2695 CD ARG B 76 6.426 -2.903 19.326 1.00 1.29 C ATOM 2696 NE ARG B 76 5.517 -3.735 18.482 1.00 1.55 N ATOM 2697 CZ ARG B 76 4.856 -4.732 19.004 1.00 2.38 C ATOM 2698 NH1 ARG B 76 4.985 -5.018 20.271 1.00 3.14 N ATOM 2699 NH2 ARG B 76 4.060 -5.445 18.255 1.00 2.85 N ATOM 0 H ARG B 76 3.409 1.557 19.509 1.00 0.50 H new ATOM 0 HA ARG B 76 6.162 0.572 19.153 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.709 -1.177 19.233 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.911 -1.514 18.003 1.00 0.45 H new ATOM 0 HG2 ARG B 76 6.292 -1.106 20.523 1.00 0.62 H new ATOM 0 HG3 ARG B 76 4.982 -2.238 20.792 1.00 0.62 H new ATOM 0 HD2 ARG B 76 7.206 -2.459 18.708 1.00 1.29 H new ATOM 0 HD3 ARG B 76 6.924 -3.528 20.067 1.00 1.29 H new ATOM 0 HE ARG B 76 5.412 -3.522 17.490 1.00 1.55 H new ATOM 0 HH11 ARG B 76 5.605 -4.461 20.859 1.00 3.14 H new ATOM 0 HH12 ARG B 76 4.466 -5.798 20.673 1.00 3.14 H new ATOM 0 HH21 ARG B 76 3.956 -5.222 17.265 1.00 2.85 H new ATOM 0 HH22 ARG B 76 3.542 -6.225 18.660 1.00 2.85 H new ATOM 2713 N ARG B 77 5.719 0.820 16.612 1.00 0.38 N ATOM 2714 CA ARG B 77 5.448 1.309 15.233 1.00 0.34 C ATOM 2715 C ARG B 77 4.824 0.225 14.380 1.00 0.30 C ATOM 2716 O ARG B 77 5.172 -0.937 14.443 1.00 0.32 O ATOM 2717 CB ARG B 77 6.716 1.817 14.559 1.00 0.36 C ATOM 2718 CG ARG B 77 6.405 3.164 13.893 1.00 0.47 C ATOM 2719 CD ARG B 77 7.571 3.592 13.002 1.00 0.48 C ATOM 2720 NE ARG B 77 7.116 4.673 12.081 1.00 1.12 N ATOM 2721 CZ ARG B 77 7.245 5.933 12.413 1.00 1.45 C ATOM 2722 NH1 ARG B 77 7.747 6.269 13.571 1.00 1.69 N ATOM 2723 NH2 ARG B 77 6.858 6.862 11.582 1.00 2.39 N ATOM 0 H ARG B 77 6.653 0.442 16.772 1.00 0.38 H new ATOM 0 HA ARG B 77 4.746 2.138 15.325 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.515 1.932 15.292 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.065 1.099 13.817 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.494 3.083 13.299 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.223 3.922 14.655 1.00 0.47 H new ATOM 0 HD2 ARG B 77 8.401 3.945 13.614 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.938 2.740 12.429 1.00 0.48 H new ATOM 0 HE ARG B 77 6.700 4.428 11.183 1.00 1.12 H new ATOM 0 HH11 ARG B 77 8.043 5.547 14.227 1.00 1.69 H new ATOM 0 HH12 ARG B 77 7.843 7.254 13.819 1.00 1.69 H new ATOM 0 HH21 ARG B 77 6.458 6.605 10.680 1.00 2.39 H new ATOM 0 HH22 ARG B 77 6.956 7.845 11.835 1.00 2.39 H new ATOM 2737 N ILE B 78 3.886 0.633 13.578 1.00 0.26 N ATOM 2738 CA ILE B 78 3.178 -0.304 12.686 1.00 0.23 C ATOM 2739 C ILE B 78 3.048 0.363 11.322 1.00 0.21 C ATOM 2740 O ILE B 78 3.089 1.571 11.205 1.00 0.22 O ATOM 2741 CB ILE B 78 1.785 -0.571 13.262 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.139 -1.792 12.588 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.901 0.652 13.025 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.108 -2.401 13.538 1.00 0.58 C ATOM 0 H ILE B 78 3.577 1.602 13.506 1.00 0.26 H new ATOM 0 HA ILE B 78 3.718 -1.246 12.596 1.00 0.23 H new ATOM 0 HB ILE B 78 1.883 -0.770 14.329 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.661 -1.497 11.654 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.901 -2.530 12.337 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.093 0.467 13.433 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.340 1.519 13.518 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.824 0.843 11.955 1.00 0.32 H new ATOM 0 HD11 ILE B 78 -0.354 -3.268 13.066 1.00 0.58 H new ATOM 0 HD12 ILE B 78 0.601 -2.709 14.460 1.00 0.58 H new ATOM 0 HD13 ILE B 78 -0.659 -1.660 13.766 1.00 0.58 H new ATOM 2756 N SER B 79 2.952 -0.407 10.289 1.00 0.20 N ATOM 2757 CA SER B 79 2.892 0.187 8.934 1.00 0.19 C ATOM 2758 C SER B 79 1.448 0.560 8.598 1.00 0.20 C ATOM 2759 O SER B 79 0.515 0.044 9.170 1.00 0.22 O ATOM 2760 CB SER B 79 3.423 -0.833 7.926 1.00 0.22 C ATOM 2761 OG SER B 79 3.840 -1.998 8.625 1.00 0.61 O ATOM 0 H SER B 79 2.912 -1.426 10.321 1.00 0.20 H new ATOM 0 HA SER B 79 3.502 1.090 8.894 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.649 -1.085 7.202 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.257 -0.410 7.366 1.00 0.22 H new ATOM 0 HG SER B 79 4.793 -2.155 8.460 1.00 0.61 H new ATOM 2767 N TYR B 80 1.279 1.503 7.710 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.093 1.987 7.352 1.00 0.29 C ATOM 2769 C TYR B 80 -0.183 2.168 5.837 1.00 0.29 C ATOM 2770 O TYR B 80 0.713 2.702 5.218 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.297 3.346 8.034 1.00 0.41 C ATOM 2772 CG TYR B 80 -1.690 3.538 8.577 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -2.811 3.236 7.809 1.00 1.63 C ATOM 2774 CD2 TYR B 80 -1.847 4.048 9.869 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -4.087 3.435 8.343 1.00 2.58 C ATOM 2776 CE2 TYR B 80 -3.121 4.247 10.400 1.00 2.80 C ATOM 2777 CZ TYR B 80 -4.244 3.937 9.637 1.00 3.04 C ATOM 2778 OH TYR B 80 -5.508 4.132 10.155 1.00 4.08 O ATOM 0 H TYR B 80 2.039 1.965 7.211 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.851 1.273 7.674 1.00 0.29 H new ATOM 0 HB2 TYR B 80 0.420 3.447 8.849 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.081 4.140 7.319 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -2.695 2.850 6.807 1.00 1.63 H new ATOM 0 HD2 TYR B 80 -0.976 4.290 10.460 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -4.959 3.199 7.751 1.00 2.58 H new ATOM 0 HE2 TYR B 80 -3.236 4.640 11.399 1.00 2.80 H new ATOM 0 HH TYR B 80 -5.437 4.485 11.066 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.278 1.764 5.248 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.465 1.940 3.779 1.00 0.32 C ATOM 2790 C ILE B 81 -2.705 2.794 3.554 1.00 0.31 C ATOM 2791 O ILE B 81 -3.765 2.524 4.092 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.663 0.586 3.093 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.577 0.767 1.569 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.043 0.030 3.459 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.245 -0.423 0.872 1.00 0.69 C ATOM 0 H ILE B 81 -2.058 1.315 5.728 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.580 2.417 3.358 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.888 -0.106 3.423 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.066 1.695 1.275 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.535 0.844 1.260 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.188 -0.934 2.972 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.110 -0.095 4.540 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.815 0.724 3.126 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.183 -0.293 -0.208 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.736 -1.344 1.157 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.292 -0.479 1.171 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.579 3.804 2.744 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.735 4.675 2.437 1.00 0.29 C ATOM 2809 C LEU B 82 -4.139 4.366 1.004 1.00 0.27 C ATOM 2810 O LEU B 82 -3.337 4.518 0.104 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.310 6.141 2.555 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.271 6.304 3.671 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -1.900 7.782 3.809 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -2.857 5.807 4.995 1.00 0.37 C ATOM 0 H LEU B 82 -1.710 4.064 2.277 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.563 4.502 3.124 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -2.894 6.484 1.608 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.180 6.763 2.764 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.383 5.723 3.424 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.161 7.899 4.602 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.483 8.142 2.868 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -2.791 8.359 4.055 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.117 5.924 5.787 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -3.746 6.388 5.240 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.126 4.755 4.902 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.344 3.903 0.772 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.741 3.557 -0.620 1.00 0.23 C ATOM 2828 C LEU B 83 -7.007 4.304 -1.021 1.00 0.22 C ATOM 2829 O LEU B 83 -8.023 4.238 -0.358 1.00 0.21 O ATOM 2830 CB LEU B 83 -5.985 2.052 -0.709 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.580 1.698 -2.075 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.883 0.461 -2.634 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -8.069 1.406 -1.914 1.00 0.98 C ATOM 0 H LEU B 83 -6.061 3.752 1.482 1.00 0.23 H new ATOM 0 HA LEU B 83 -4.940 3.848 -1.299 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.049 1.514 -0.560 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.663 1.738 0.085 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.438 2.534 -2.760 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -6.309 0.212 -3.606 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.818 0.663 -2.745 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -6.024 -0.376 -1.951 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.497 1.153 -2.884 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.204 0.569 -1.229 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.571 2.287 -1.514 1.00 0.98 H new ATOM 2845 N ARG B 84 -6.938 5.002 -2.122 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.118 5.743 -2.604 1.00 0.24 C ATOM 2847 C ARG B 84 -8.828 4.902 -3.657 1.00 0.30 C ATOM 2848 O ARG B 84 -8.334 3.881 -4.088 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.692 7.107 -3.163 1.00 0.29 C ATOM 2850 CG ARG B 84 -8.749 8.165 -2.793 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.218 9.579 -3.049 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.086 10.563 -2.345 1.00 0.41 N ATOM 2853 CZ ARG B 84 -8.937 11.840 -2.568 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.023 12.255 -3.403 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -9.698 12.704 -1.954 1.00 0.60 N ATOM 0 H ARG B 84 -6.106 5.086 -2.706 1.00 0.23 H new ATOM 0 HA ARG B 84 -8.809 5.930 -1.782 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -6.720 7.391 -2.758 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.582 7.050 -4.246 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.654 8.001 -3.377 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.023 8.059 -1.743 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.190 9.664 -2.695 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.205 9.787 -4.119 1.00 0.34 H new ATOM 0 HE ARG B 84 -9.797 10.239 -1.689 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.425 11.581 -3.881 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -7.907 13.253 -3.577 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -10.410 12.381 -1.299 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -9.581 13.702 -2.129 1.00 0.60 H new ATOM 2869 N LEU B 85 -9.983 5.325 -4.070 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.729 4.542 -5.095 1.00 0.28 C ATOM 2871 C LEU B 85 -11.763 5.436 -5.757 1.00 0.27 C ATOM 2872 O LEU B 85 -12.365 6.259 -5.114 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.428 3.368 -4.413 1.00 0.29 C ATOM 2874 CG LEU B 85 -10.772 2.045 -4.813 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -11.402 0.909 -4.007 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -10.978 1.772 -6.303 1.00 0.93 C ATOM 0 H LEU B 85 -10.445 6.175 -3.747 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.039 4.168 -5.851 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -11.383 3.490 -3.331 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.482 3.355 -4.689 1.00 0.29 H new ATOM 0 HG LEU B 85 -9.703 2.107 -4.609 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -10.939 -0.037 -4.288 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -11.246 1.088 -2.943 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -12.471 0.865 -4.215 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -10.504 0.827 -6.569 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.045 1.716 -6.519 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -10.532 2.578 -6.886 1.00 0.93 H new ATOM 2888 N LYS B 86 -11.951 5.286 -7.035 1.00 0.31 N ATOM 2889 CA LYS B 86 -12.936 6.137 -7.765 1.00 0.33 C ATOM 2890 C LYS B 86 -13.909 5.260 -8.553 1.00 0.30 C ATOM 2891 O LYS B 86 -13.551 4.210 -9.036 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.168 7.016 -8.746 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.049 8.151 -9.270 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.104 8.064 -10.797 1.00 0.41 C ATOM 2895 CE LYS B 86 -13.883 9.255 -11.354 1.00 0.51 C ATOM 2896 NZ LYS B 86 -15.327 9.105 -11.017 1.00 1.31 N ATOM 0 H LYS B 86 -11.461 4.604 -7.614 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.497 6.741 -7.052 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.287 7.431 -8.256 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.813 6.411 -9.581 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.052 8.075 -8.851 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -12.646 9.116 -8.961 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.094 8.054 -11.207 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -13.580 7.132 -11.101 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -13.496 10.184 -10.936 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -13.755 9.314 -12.435 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -15.905 9.514 -11.779 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -15.556 8.096 -10.912 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -15.529 9.601 -10.125 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.129 5.701 -8.706 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.122 4.906 -9.496 1.00 0.27 C ATOM 2912 C ARG B 87 -16.350 5.578 -10.848 1.00 0.28 C ATOM 2913 O ARG B 87 -16.478 6.783 -10.939 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.457 4.831 -8.760 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.283 4.080 -7.434 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.032 2.588 -7.695 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.418 1.809 -6.484 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.798 0.562 -6.592 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -17.831 -0.019 -7.761 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.142 -0.106 -5.526 1.00 0.87 N ATOM 0 H ARG B 87 -15.483 6.576 -8.320 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.728 3.899 -9.632 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -17.835 5.836 -8.572 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.196 4.324 -9.381 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.449 4.504 -6.875 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.174 4.204 -6.819 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.610 2.255 -8.557 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -15.981 2.419 -7.932 1.00 0.42 H new ATOM 0 HE ARG B 87 -17.386 2.251 -5.565 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -17.560 0.500 -8.596 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -18.128 -0.992 -7.839 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -18.114 0.344 -4.611 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -18.439 -1.078 -5.607 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.416 4.796 -11.892 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.656 5.363 -13.254 1.00 0.32 C ATOM 2936 C VAL B 88 -17.990 4.842 -13.783 1.00 0.34 C ATOM 2937 O VAL B 88 -18.449 5.232 -14.837 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.529 4.940 -14.195 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -15.786 5.506 -15.593 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.197 5.476 -13.667 1.00 0.68 C ATOM 0 H VAL B 88 -16.313 3.782 -11.861 1.00 0.28 H new ATOM 0 HA VAL B 88 -16.683 6.451 -13.198 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.491 3.852 -14.247 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -14.981 5.203 -16.262 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -16.735 5.125 -15.971 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -15.826 6.594 -15.543 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.392 5.175 -14.338 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.238 6.564 -13.615 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.011 5.072 -12.672 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.621 3.968 -13.050 1.00 0.33 N ATOM 2951 CA TYR B 89 -19.932 3.432 -13.502 1.00 0.39 C ATOM 2952 C TYR B 89 -20.514 2.525 -12.416 1.00 0.50 C ATOM 2953 O TYR B 89 -19.926 2.456 -11.350 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.746 2.631 -14.792 1.00 0.41 C ATOM 2955 CG TYR B 89 -20.690 3.155 -15.848 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -22.074 3.033 -15.670 1.00 1.13 C ATOM 2957 CD2 TYR B 89 -20.185 3.766 -17.003 1.00 1.47 C ATOM 2958 CE1 TYR B 89 -22.952 3.520 -16.646 1.00 1.27 C ATOM 2959 CE2 TYR B 89 -21.064 4.252 -17.979 1.00 1.77 C ATOM 2960 CZ TYR B 89 -22.446 4.130 -17.801 1.00 1.26 C ATOM 2961 OH TYR B 89 -23.311 4.610 -18.762 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.540 1.915 -12.669 1.00 1.01 O ATOM 0 H TYR B 89 -18.285 3.603 -12.159 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.615 4.261 -13.689 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -18.715 2.711 -15.138 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.939 1.574 -14.608 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -22.464 2.563 -14.779 1.00 1.13 H new ATOM 0 HD2 TYR B 89 -19.118 3.862 -17.141 1.00 1.47 H new ATOM 0 HE1 TYR B 89 -24.019 3.425 -16.508 1.00 1.27 H new ATOM 0 HE2 TYR B 89 -20.674 4.722 -18.870 1.00 1.77 H new ATOM 0 HH TYR B 89 -22.797 5.004 -19.497 1.00 1.66 H new TER 2972 TYR B 89