USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1238 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: B 119 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0) USER MOD Set 1.2: B 121 GLN : amide:sc= 1.03 K(o=2.3,f=-8.9!) USER MOD Set 2.1: B 83 TYR OH : rot -22:sc= 0.552 USER MOD Set 2.2: B 117 ASN : amide:sc= -0.0666 X(o=0.49,f=0.56) USER MOD Set 2.3: B 118 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 99 LYS NZ :NH3+ 170:sc= 0.844 (180deg=0.022) USER MOD Set 3.2: B 100 ASN : amide:sc= -0.0258 K(o=0.82,f=-5.8!) USER MOD Set 4.1: B 59 TYR OH : rot -17:sc= 1.03 USER MOD Set 4.2: B 62 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0) USER MOD Set 5.1: B 50 ASN : amide:sc= 0.952 K(o=3.4,f=-6.9!) USER MOD Set 5.2: B 56 LYS NZ :NH3+ -150:sc= 2.41 (180deg=1.1) USER MOD Set 6.1: B 52 GLN : amide:sc= -0.507 K(o=-1.1,f=-3.5!) USER MOD Set 6.2: B 54 SER OG : rot -173:sc= -0.618 USER MOD Set 7.1: A 68 HIS : no HE2:sc= 0.179 K(o=1.1,f=-11!) USER MOD Set 7.2: B 109 GLN : amide:sc= 0.872 X(o=1.1,f=1.1) USER MOD Single : A 1 MET CE :methyl 159:sc= 0 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.22 (180deg=0.992) USER MOD Single : A 2 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.57) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.14) USER MOD Single : A 7 THR OG1 : rot -100:sc= -0.596 USER MOD Single : A 9 THR OG1 : rot -41:sc= 0.872 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0466 (180deg=-0.336) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.138 USER MOD Single : A 22 THR OG1 : rot 162:sc= 0.647 USER MOD Single : A 25 ASN : amide:sc= -1.02 X(o=-1,f=-0.76) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.86 (180deg=0.141) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.68 (180deg=1.49) USER MOD Single : A 31 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 1.03 (180deg=-0.877) USER MOD Single : A 40 GLN : amide:sc= 0.988 K(o=0.99,f=-0.83) USER MOD Single : A 41 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.4!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.26) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0083 USER MOD Single : A 57 SER OG : rot 81:sc= -0.512 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.253 USER MOD Single : A 60 ASN : amide:sc=-0.00648 X(o=-0.0065,f=0.058) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -82:sc= 1.35 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.8!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= -0.0266 USER MOD Single : B 73 ASN : amide:sc= 1.67 K(o=1.7,f=-5.7!) USER MOD Single : B 78 SER OG : rot 180:sc= 0.0738 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 ASN : amide:sc= -0.0152! X(o=-0.015!,f=-0.35) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.00818 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -59:sc= 1.22 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.2!) USER MOD Single : B 98 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.4) USER MOD Single : B 103 ASN : amide:sc= 0.374 K(o=0.37,f=-7.7!) USER MOD Single : B 105 MET CE :methyl -160:sc= -0.201 (180deg=-0.839) USER MOD Single : B 112 LYS NZ :NH3+ -131:sc= 0.0458 (180deg=0) USER MOD Single : B 122 MET CE :methyl 157:sc= -0.175 (180deg=-0.799) USER MOD Single : B 127 ASN : amide:sc= 0.236 K(o=0.24,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.202 6.162 -8.524 1.00 1.33 N ATOM 2 CA MET A 1 -19.825 6.636 -8.765 1.00 1.28 C ATOM 3 C MET A 1 -18.911 5.459 -9.057 1.00 1.15 C ATOM 4 O MET A 1 -19.286 4.304 -8.848 1.00 1.19 O ATOM 5 CB MET A 1 -19.298 7.418 -7.555 1.00 1.53 C ATOM 6 CG MET A 1 -19.124 6.577 -6.301 1.00 1.58 C ATOM 7 SD MET A 1 -17.937 7.290 -5.149 1.00 1.88 S ATOM 8 CE MET A 1 -18.707 8.869 -4.784 1.00 1.44 C ATOM 0 H1 MET A 1 -21.676 6.799 -7.853 1.00 1.33 H new ATOM 0 H2 MET A 1 -21.728 6.151 -9.421 1.00 1.33 H new ATOM 0 H3 MET A 1 -21.174 5.201 -8.128 1.00 1.33 H new ATOM 0 HA MET A 1 -19.839 7.302 -9.628 1.00 1.28 H new ATOM 0 HB2 MET A 1 -18.339 7.866 -7.815 1.00 1.53 H new ATOM 0 HB3 MET A 1 -19.984 8.237 -7.338 1.00 1.53 H new ATOM 0 HG2 MET A 1 -20.088 6.469 -5.804 1.00 1.58 H new ATOM 0 HG3 MET A 1 -18.796 5.576 -6.582 1.00 1.58 H new ATOM 0 HE1 MET A 1 -18.318 9.255 -3.842 1.00 1.44 H new ATOM 0 HE2 MET A 1 -18.486 9.575 -5.584 1.00 1.44 H new ATOM 0 HE3 MET A 1 -19.786 8.738 -4.704 1.00 1.44 H new ATOM 20 N GLN A 2 -17.720 5.749 -9.547 1.00 1.16 N ATOM 21 CA GLN A 2 -16.755 4.713 -9.866 1.00 1.06 C ATOM 22 C GLN A 2 -15.396 5.078 -9.284 1.00 1.00 C ATOM 23 O GLN A 2 -14.822 6.112 -9.632 1.00 1.13 O ATOM 24 CB GLN A 2 -16.659 4.533 -11.383 1.00 1.18 C ATOM 25 CG GLN A 2 -16.193 3.151 -11.803 1.00 1.27 C ATOM 26 CD GLN A 2 -16.221 2.951 -13.305 1.00 1.41 C ATOM 27 OE1 GLN A 2 -15.246 3.234 -14.001 1.00 1.59 O ATOM 28 NE2 GLN A 2 -17.335 2.457 -13.813 1.00 1.75 N ATOM 0 H GLN A 2 -17.397 6.698 -9.734 1.00 1.16 H new ATOM 0 HA GLN A 2 -17.082 3.770 -9.427 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -17.636 4.728 -11.826 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -15.972 5.277 -11.786 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -15.179 2.989 -11.439 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -16.826 2.400 -11.330 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -18.120 2.236 -13.201 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -17.410 2.297 -14.817 1.00 1.75 H new ATOM 37 N ILE A 3 -14.893 4.238 -8.390 1.00 0.88 N ATOM 38 CA ILE A 3 -13.607 4.491 -7.754 1.00 0.82 C ATOM 39 C ILE A 3 -12.533 3.558 -8.301 1.00 0.81 C ATOM 40 O ILE A 3 -12.841 2.504 -8.870 1.00 0.85 O ATOM 41 CB ILE A 3 -13.667 4.348 -6.213 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.953 2.895 -5.794 1.00 0.68 C ATOM 43 CG2 ILE A 3 -14.701 5.304 -5.628 1.00 0.82 C ATOM 44 CD1 ILE A 3 -15.422 2.563 -5.626 1.00 1.10 C ATOM 0 H ILE A 3 -15.353 3.379 -8.089 1.00 0.88 H new ATOM 0 HA ILE A 3 -13.352 5.524 -7.989 1.00 0.82 H new ATOM 0 HB ILE A 3 -12.689 4.614 -5.811 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -13.526 2.225 -6.540 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -13.439 2.694 -4.854 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -14.730 5.190 -4.544 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -14.430 6.330 -5.878 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -15.683 5.076 -6.043 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -15.528 1.519 -5.330 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -15.854 3.204 -4.857 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.942 2.727 -6.570 1.00 1.10 H new ATOM 56 N PHE A 4 -11.278 3.950 -8.129 1.00 0.80 N ATOM 57 CA PHE A 4 -10.153 3.160 -8.601 1.00 0.81 C ATOM 58 C PHE A 4 -9.333 2.659 -7.421 1.00 0.75 C ATOM 59 O PHE A 4 -8.767 3.448 -6.664 1.00 0.82 O ATOM 60 CB PHE A 4 -9.268 3.992 -9.534 1.00 0.87 C ATOM 61 CG PHE A 4 -9.980 4.510 -10.753 1.00 0.99 C ATOM 62 CD1 PHE A 4 -10.704 5.691 -10.700 1.00 1.00 C ATOM 63 CD2 PHE A 4 -9.922 3.819 -11.949 1.00 1.30 C ATOM 64 CE1 PHE A 4 -11.361 6.168 -11.818 1.00 1.14 C ATOM 65 CE2 PHE A 4 -10.575 4.290 -13.072 1.00 1.45 C ATOM 66 CZ PHE A 4 -11.296 5.465 -13.005 1.00 1.30 C ATOM 0 H PHE A 4 -11.014 4.818 -7.662 1.00 0.80 H new ATOM 0 HA PHE A 4 -10.540 2.305 -9.155 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -8.863 4.836 -8.976 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -8.421 3.384 -9.852 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -10.755 6.245 -9.774 1.00 1.00 H new ATOM 0 HD2 PHE A 4 -9.359 2.899 -12.006 1.00 1.30 H new ATOM 0 HE1 PHE A 4 -11.924 7.088 -11.764 1.00 1.14 H new ATOM 0 HE2 PHE A 4 -10.521 3.740 -14.000 1.00 1.45 H new ATOM 0 HZ PHE A 4 -11.809 5.835 -13.880 1.00 1.30 H new ATOM 76 N VAL A 5 -9.276 1.349 -7.258 1.00 0.66 N ATOM 77 CA VAL A 5 -8.524 0.761 -6.166 1.00 0.60 C ATOM 78 C VAL A 5 -7.356 -0.063 -6.701 1.00 0.60 C ATOM 79 O VAL A 5 -7.521 -0.911 -7.578 1.00 0.67 O ATOM 80 CB VAL A 5 -9.433 -0.100 -5.250 1.00 0.60 C ATOM 81 CG1 VAL A 5 -10.094 -1.235 -6.021 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.643 -0.638 -4.069 1.00 0.56 C ATOM 0 H VAL A 5 -9.740 0.675 -7.866 1.00 0.66 H new ATOM 0 HA VAL A 5 -8.124 1.574 -5.561 1.00 0.60 H new ATOM 0 HB VAL A 5 -10.227 0.544 -4.872 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.723 -1.816 -5.346 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.707 -0.822 -6.822 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -9.326 -1.881 -6.447 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -9.297 -1.239 -3.438 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.821 -1.255 -4.432 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -8.244 0.194 -3.489 1.00 0.56 H new ATOM 92 N LYS A 6 -6.171 0.209 -6.189 1.00 0.58 N ATOM 93 CA LYS A 6 -4.978 -0.495 -6.624 1.00 0.63 C ATOM 94 C LYS A 6 -4.552 -1.533 -5.596 1.00 0.62 C ATOM 95 O LYS A 6 -4.356 -1.213 -4.421 1.00 0.59 O ATOM 96 CB LYS A 6 -3.845 0.499 -6.867 1.00 0.69 C ATOM 97 CG LYS A 6 -2.629 -0.114 -7.548 1.00 1.21 C ATOM 98 CD LYS A 6 -1.474 0.873 -7.624 1.00 1.24 C ATOM 99 CE LYS A 6 -1.849 2.122 -8.411 1.00 1.27 C ATOM 100 NZ LYS A 6 -0.767 3.139 -8.393 1.00 1.38 N ATOM 0 H LYS A 6 -6.008 0.914 -5.470 1.00 0.58 H new ATOM 0 HA LYS A 6 -5.207 -1.013 -7.555 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -4.218 1.319 -7.480 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -3.539 0.928 -5.913 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -2.314 -1.002 -7.001 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -2.899 -0.438 -8.553 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -1.171 1.156 -6.616 1.00 1.24 H new ATOM 0 HD3 LYS A 6 -0.615 0.392 -8.092 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -2.071 1.847 -9.442 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -2.759 2.554 -7.994 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -1.043 3.950 -8.982 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.607 3.459 -7.416 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.108 2.721 -8.768 1.00 1.38 H new ATOM 114 N THR A 7 -4.422 -2.773 -6.039 1.00 0.66 N ATOM 115 CA THR A 7 -4.009 -3.863 -5.173 1.00 0.67 C ATOM 116 C THR A 7 -2.510 -3.779 -4.887 1.00 0.73 C ATOM 117 O THR A 7 -1.772 -3.108 -5.608 1.00 0.74 O ATOM 118 CB THR A 7 -4.332 -5.221 -5.823 1.00 0.71 C ATOM 119 OG1 THR A 7 -5.392 -5.061 -6.775 1.00 0.96 O ATOM 120 CG2 THR A 7 -4.738 -6.253 -4.777 1.00 0.94 C ATOM 0 H THR A 7 -4.599 -3.051 -7.004 1.00 0.66 H new ATOM 0 HA THR A 7 -4.558 -3.777 -4.235 1.00 0.67 H new ATOM 0 HB THR A 7 -3.433 -5.579 -6.325 1.00 0.71 H new ATOM 0 HG1 THR A 7 -6.238 -5.350 -6.374 1.00 0.96 H new ATOM 0 HG21 THR A 7 -4.960 -7.201 -5.268 1.00 0.94 H new ATOM 0 HG22 THR A 7 -3.922 -6.393 -4.068 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.623 -5.904 -4.246 1.00 0.94 H new ATOM 128 N LEU A 8 -2.072 -4.471 -3.840 1.00 0.81 N ATOM 129 CA LEU A 8 -0.663 -4.486 -3.438 1.00 0.90 C ATOM 130 C LEU A 8 0.257 -4.943 -4.574 1.00 0.96 C ATOM 131 O LEU A 8 1.420 -4.554 -4.633 1.00 1.02 O ATOM 132 CB LEU A 8 -0.483 -5.406 -2.227 1.00 0.98 C ATOM 133 CG LEU A 8 0.945 -5.502 -1.679 1.00 1.11 C ATOM 134 CD1 LEU A 8 1.343 -4.205 -0.995 1.00 1.20 C ATOM 135 CD2 LEU A 8 1.065 -6.675 -0.716 1.00 1.24 C ATOM 0 H LEU A 8 -2.678 -5.036 -3.246 1.00 0.81 H new ATOM 0 HA LEU A 8 -0.383 -3.465 -3.179 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -1.138 -5.058 -1.428 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.817 -6.407 -2.500 1.00 0.98 H new ATOM 0 HG LEU A 8 1.625 -5.670 -2.514 1.00 1.11 H new ATOM 0 HD11 LEU A 8 2.360 -4.293 -0.612 1.00 1.20 H new ATOM 0 HD12 LEU A 8 1.294 -3.386 -1.712 1.00 1.20 H new ATOM 0 HD13 LEU A 8 0.661 -4.005 -0.169 1.00 1.20 H new ATOM 0 HD21 LEU A 8 2.085 -6.730 -0.335 1.00 1.24 H new ATOM 0 HD22 LEU A 8 0.374 -6.535 0.115 1.00 1.24 H new ATOM 0 HD23 LEU A 8 0.822 -7.601 -1.238 1.00 1.24 H new ATOM 147 N THR A 9 -0.275 -5.755 -5.480 1.00 0.98 N ATOM 148 CA THR A 9 0.504 -6.264 -6.602 1.00 1.08 C ATOM 149 C THR A 9 0.551 -5.255 -7.757 1.00 1.09 C ATOM 150 O THR A 9 1.051 -5.562 -8.840 1.00 1.26 O ATOM 151 CB THR A 9 -0.066 -7.615 -7.104 1.00 1.14 C ATOM 152 OG1 THR A 9 0.761 -8.159 -8.141 1.00 1.25 O ATOM 153 CG2 THR A 9 -1.493 -7.455 -7.618 1.00 1.12 C ATOM 0 H THR A 9 -1.243 -6.075 -5.459 1.00 0.98 H new ATOM 0 HA THR A 9 1.521 -6.422 -6.244 1.00 1.08 H new ATOM 0 HB THR A 9 -0.076 -8.301 -6.257 1.00 1.14 H new ATOM 0 HG1 THR A 9 1.045 -7.440 -8.744 1.00 1.25 H new ATOM 0 HG21 THR A 9 -1.866 -8.419 -7.963 1.00 1.12 H new ATOM 0 HG22 THR A 9 -2.130 -7.086 -6.814 1.00 1.12 H new ATOM 0 HG23 THR A 9 -1.504 -6.745 -8.445 1.00 1.12 H new ATOM 161 N GLY A 10 0.040 -4.049 -7.518 1.00 0.96 N ATOM 162 CA GLY A 10 0.039 -3.022 -8.545 1.00 1.01 C ATOM 163 C GLY A 10 -1.040 -3.251 -9.583 1.00 0.98 C ATOM 164 O GLY A 10 -0.840 -2.991 -10.767 1.00 1.12 O ATOM 0 H GLY A 10 -0.374 -3.765 -6.630 1.00 0.96 H new ATOM 0 HA2 GLY A 10 -0.107 -2.047 -8.081 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.013 -2.999 -9.035 1.00 1.01 H new ATOM 168 N LYS A 11 -2.185 -3.731 -9.129 1.00 0.97 N ATOM 169 CA LYS A 11 -3.308 -4.009 -10.011 1.00 0.94 C ATOM 170 C LYS A 11 -4.397 -2.959 -9.833 1.00 0.88 C ATOM 171 O LYS A 11 -4.940 -2.799 -8.740 1.00 0.93 O ATOM 172 CB LYS A 11 -3.861 -5.406 -9.717 1.00 0.93 C ATOM 173 CG LYS A 11 -5.061 -5.786 -10.564 1.00 1.18 C ATOM 174 CD LYS A 11 -5.576 -7.171 -10.205 1.00 1.26 C ATOM 175 CE LYS A 11 -6.770 -7.559 -11.060 1.00 1.59 C ATOM 176 NZ LYS A 11 -6.440 -7.549 -12.509 1.00 2.04 N ATOM 0 H LYS A 11 -2.363 -3.938 -8.146 1.00 0.97 H new ATOM 0 HA LYS A 11 -2.964 -3.973 -11.045 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -3.070 -6.139 -9.876 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -4.140 -5.461 -8.665 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -5.855 -5.053 -10.423 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -4.787 -5.760 -11.619 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -4.779 -7.903 -10.338 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -5.858 -7.194 -9.152 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -7.115 -8.552 -10.773 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -7.592 -6.869 -10.870 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -7.180 -8.054 -13.037 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -6.383 -6.567 -12.845 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -5.525 -8.020 -12.660 1.00 2.04 H new ATOM 190 N THR A 12 -4.701 -2.234 -10.902 1.00 0.85 N ATOM 191 CA THR A 12 -5.724 -1.201 -10.856 1.00 0.84 C ATOM 192 C THR A 12 -7.105 -1.789 -11.144 1.00 0.83 C ATOM 193 O THR A 12 -7.409 -2.168 -12.277 1.00 0.94 O ATOM 194 CB THR A 12 -5.423 -0.083 -11.871 1.00 0.94 C ATOM 195 OG1 THR A 12 -4.004 0.085 -12.012 1.00 1.01 O ATOM 196 CG2 THR A 12 -6.049 1.233 -11.431 1.00 0.92 C ATOM 0 H THR A 12 -4.252 -2.344 -11.812 1.00 0.85 H new ATOM 0 HA THR A 12 -5.719 -0.779 -9.851 1.00 0.84 H new ATOM 0 HB THR A 12 -5.853 -0.371 -12.830 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.822 0.797 -12.661 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.822 2.007 -12.164 1.00 0.92 H new ATOM 0 HG22 THR A 12 -7.130 1.113 -11.352 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.644 1.522 -10.461 1.00 0.92 H new ATOM 204 N ILE A 13 -7.929 -1.876 -10.111 1.00 0.75 N ATOM 205 CA ILE A 13 -9.275 -2.413 -10.245 1.00 0.76 C ATOM 206 C ILE A 13 -10.306 -1.294 -10.143 1.00 0.76 C ATOM 207 O ILE A 13 -10.208 -0.421 -9.282 1.00 0.75 O ATOM 208 CB ILE A 13 -9.578 -3.473 -9.159 1.00 0.75 C ATOM 209 CG1 ILE A 13 -8.422 -4.470 -9.046 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.879 -4.200 -9.476 1.00 0.82 C ATOM 211 CD1 ILE A 13 -8.552 -5.422 -7.876 1.00 0.85 C ATOM 0 H ILE A 13 -7.687 -1.580 -9.165 1.00 0.75 H new ATOM 0 HA ILE A 13 -9.335 -2.888 -11.224 1.00 0.76 H new ATOM 0 HB ILE A 13 -9.689 -2.965 -8.201 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -8.361 -5.048 -9.968 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -7.486 -3.919 -8.952 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -11.079 -4.942 -8.703 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.698 -3.482 -9.510 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.792 -4.697 -10.442 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -7.697 -6.098 -7.860 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.582 -4.854 -6.946 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -9.470 -6.000 -7.978 1.00 0.85 H new ATOM 223 N THR A 14 -11.283 -1.311 -11.032 1.00 0.83 N ATOM 224 CA THR A 14 -12.326 -0.302 -11.026 1.00 0.86 C ATOM 225 C THR A 14 -13.604 -0.861 -10.405 1.00 0.83 C ATOM 226 O THR A 14 -14.067 -1.936 -10.788 1.00 0.89 O ATOM 227 CB THR A 14 -12.625 0.190 -12.449 1.00 1.01 C ATOM 228 OG1 THR A 14 -11.492 -0.049 -13.299 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.948 1.672 -12.440 1.00 1.39 C ATOM 0 H THR A 14 -11.376 -2.012 -11.767 1.00 0.83 H new ATOM 0 HA THR A 14 -11.971 0.539 -10.431 1.00 0.86 H new ATOM 0 HB THR A 14 -13.487 -0.358 -12.830 1.00 1.01 H new ATOM 0 HG1 THR A 14 -11.691 0.266 -14.205 1.00 1.16 H new ATOM 0 HG21 THR A 14 -13.158 2.005 -13.457 1.00 1.39 H new ATOM 0 HG22 THR A 14 -13.821 1.850 -11.813 1.00 1.39 H new ATOM 0 HG23 THR A 14 -12.098 2.227 -12.044 1.00 1.39 H new ATOM 237 N LEU A 15 -14.163 -0.140 -9.444 1.00 0.81 N ATOM 238 CA LEU A 15 -15.379 -0.578 -8.771 1.00 0.81 C ATOM 239 C LEU A 15 -16.475 0.475 -8.892 1.00 0.88 C ATOM 240 O LEU A 15 -16.220 1.668 -8.728 1.00 0.89 O ATOM 241 CB LEU A 15 -15.084 -0.869 -7.297 1.00 0.76 C ATOM 242 CG LEU A 15 -15.501 -2.254 -6.797 1.00 0.80 C ATOM 243 CD1 LEU A 15 -17.008 -2.423 -6.877 1.00 0.99 C ATOM 244 CD2 LEU A 15 -14.797 -3.349 -7.587 1.00 0.85 C ATOM 0 H LEU A 15 -13.794 0.751 -9.112 1.00 0.81 H new ATOM 0 HA LEU A 15 -15.730 -1.491 -9.251 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -14.014 -0.750 -7.129 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.587 -0.117 -6.689 1.00 0.76 H new ATOM 0 HG LEU A 15 -15.201 -2.341 -5.753 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -17.283 -3.414 -6.517 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -17.492 -1.666 -6.260 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -17.332 -2.310 -7.911 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -15.109 -4.325 -7.214 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -15.059 -3.263 -8.641 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -13.718 -3.244 -7.472 1.00 0.85 H new ATOM 256 N GLU A 16 -17.690 0.032 -9.179 1.00 0.98 N ATOM 257 CA GLU A 16 -18.812 0.944 -9.318 1.00 1.07 C ATOM 258 C GLU A 16 -19.809 0.753 -8.173 1.00 1.06 C ATOM 259 O GLU A 16 -20.289 -0.353 -7.924 1.00 1.07 O ATOM 260 CB GLU A 16 -19.493 0.769 -10.688 1.00 1.19 C ATOM 261 CG GLU A 16 -20.250 -0.541 -10.878 1.00 1.26 C ATOM 262 CD GLU A 16 -19.349 -1.756 -10.953 1.00 1.29 C ATOM 263 OE1 GLU A 16 -18.799 -2.038 -12.038 1.00 1.35 O ATOM 264 OE2 GLU A 16 -19.192 -2.449 -9.927 1.00 1.32 O ATOM 0 H GLU A 16 -17.922 -0.951 -9.320 1.00 0.98 H new ATOM 0 HA GLU A 16 -18.433 1.965 -9.264 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -20.187 1.596 -10.838 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -18.733 0.846 -11.465 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -20.951 -0.669 -10.053 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -20.841 -0.480 -11.792 1.00 1.26 H new ATOM 271 N VAL A 17 -20.080 1.834 -7.459 1.00 1.05 N ATOM 272 CA VAL A 17 -21.014 1.823 -6.336 1.00 1.06 C ATOM 273 C VAL A 17 -21.608 3.211 -6.162 1.00 1.12 C ATOM 274 O VAL A 17 -21.078 4.183 -6.699 1.00 1.18 O ATOM 275 CB VAL A 17 -20.347 1.398 -5.003 1.00 0.99 C ATOM 276 CG1 VAL A 17 -20.461 -0.105 -4.793 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.892 1.840 -4.955 1.00 0.92 C ATOM 0 H VAL A 17 -19.660 2.746 -7.639 1.00 1.05 H new ATOM 0 HA VAL A 17 -21.785 1.089 -6.570 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.878 1.895 -4.191 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -19.985 -0.378 -3.851 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -21.513 -0.390 -4.764 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -19.967 -0.626 -5.613 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -18.448 1.529 -4.009 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -18.345 1.383 -5.780 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.838 2.925 -5.041 1.00 0.92 H new ATOM 287 N GLU A 18 -22.702 3.313 -5.428 1.00 1.15 N ATOM 288 CA GLU A 18 -23.327 4.605 -5.205 1.00 1.20 C ATOM 289 C GLU A 18 -22.812 5.213 -3.909 1.00 1.10 C ATOM 290 O GLU A 18 -22.407 4.490 -3.003 1.00 1.08 O ATOM 291 CB GLU A 18 -24.855 4.473 -5.186 1.00 1.39 C ATOM 292 CG GLU A 18 -25.464 4.308 -6.573 1.00 1.59 C ATOM 293 CD GLU A 18 -25.116 5.452 -7.510 1.00 1.73 C ATOM 294 OE1 GLU A 18 -23.934 5.587 -7.892 1.00 1.92 O ATOM 295 OE2 GLU A 18 -26.025 6.219 -7.887 1.00 1.86 O ATOM 0 H GLU A 18 -23.172 2.526 -4.980 1.00 1.15 H new ATOM 0 HA GLU A 18 -23.064 5.271 -6.027 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -25.131 3.616 -4.572 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -25.283 5.356 -4.712 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -25.117 3.370 -7.008 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -26.548 4.236 -6.482 1.00 1.59 H new ATOM 302 N PRO A 19 -22.806 6.551 -3.802 1.00 1.10 N ATOM 303 CA PRO A 19 -22.328 7.252 -2.603 1.00 1.06 C ATOM 304 C PRO A 19 -23.105 6.863 -1.348 1.00 1.10 C ATOM 305 O PRO A 19 -22.620 7.019 -0.225 1.00 1.13 O ATOM 306 CB PRO A 19 -22.552 8.734 -2.931 1.00 1.13 C ATOM 307 CG PRO A 19 -23.522 8.745 -4.061 1.00 1.32 C ATOM 308 CD PRO A 19 -23.254 7.492 -4.839 1.00 1.21 C ATOM 0 HA PRO A 19 -21.290 7.004 -2.383 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -22.946 9.272 -2.069 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -21.617 9.221 -3.210 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -24.549 8.767 -3.695 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -23.387 9.629 -4.684 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -24.148 7.135 -5.350 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -22.491 7.646 -5.602 1.00 1.21 H new ATOM 316 N SER A 20 -24.316 6.357 -1.550 1.00 1.16 N ATOM 317 CA SER A 20 -25.177 5.935 -0.462 1.00 1.26 C ATOM 318 C SER A 20 -24.829 4.516 -0.005 1.00 1.22 C ATOM 319 O SER A 20 -25.311 4.047 1.028 1.00 1.29 O ATOM 320 CB SER A 20 -26.627 6.003 -0.931 1.00 1.42 C ATOM 321 OG SER A 20 -26.679 6.306 -2.317 1.00 1.50 O ATOM 0 H SER A 20 -24.725 6.229 -2.476 1.00 1.16 H new ATOM 0 HA SER A 20 -25.032 6.599 0.390 1.00 1.26 H new ATOM 0 HB2 SER A 20 -27.124 5.052 -0.740 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.165 6.763 -0.364 1.00 1.42 H new ATOM 0 HG SER A 20 -27.614 6.346 -2.608 1.00 1.50 H new ATOM 327 N ASP A 21 -23.989 3.838 -0.775 1.00 1.13 N ATOM 328 CA ASP A 21 -23.580 2.482 -0.442 1.00 1.09 C ATOM 329 C ASP A 21 -22.482 2.514 0.611 1.00 1.02 C ATOM 330 O ASP A 21 -21.532 3.295 0.508 1.00 1.03 O ATOM 331 CB ASP A 21 -23.086 1.731 -1.687 1.00 1.08 C ATOM 332 CG ASP A 21 -24.219 1.181 -2.528 1.00 1.32 C ATOM 333 OD1 ASP A 21 -25.190 0.650 -1.945 1.00 1.46 O ATOM 334 OD2 ASP A 21 -24.139 1.263 -3.777 1.00 1.65 O ATOM 0 H ASP A 21 -23.578 4.205 -1.634 1.00 1.13 H new ATOM 0 HA ASP A 21 -24.448 1.954 -0.046 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.481 2.404 -2.295 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -22.438 0.911 -1.378 1.00 1.08 H new ATOM 339 N THR A 22 -22.619 1.688 1.635 1.00 0.97 N ATOM 340 CA THR A 22 -21.624 1.627 2.687 1.00 0.92 C ATOM 341 C THR A 22 -20.390 0.874 2.198 1.00 0.81 C ATOM 342 O THR A 22 -20.473 0.084 1.253 1.00 0.79 O ATOM 343 CB THR A 22 -22.184 0.944 3.951 1.00 0.96 C ATOM 344 OG1 THR A 22 -23.186 -0.019 3.592 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.781 1.965 4.904 1.00 1.03 C ATOM 0 H THR A 22 -23.408 1.053 1.758 1.00 0.97 H new ATOM 0 HA THR A 22 -21.348 2.649 2.946 1.00 0.92 H new ATOM 0 HB THR A 22 -21.358 0.440 4.453 1.00 0.96 H new ATOM 0 HG1 THR A 22 -23.324 -0.641 4.337 1.00 1.12 H new ATOM 0 HG21 THR A 22 -23.168 1.456 5.787 1.00 1.03 H new ATOM 0 HG22 THR A 22 -22.011 2.676 5.204 1.00 1.03 H new ATOM 0 HG23 THR A 22 -23.592 2.496 4.406 1.00 1.03 H new ATOM 353 N ILE A 23 -19.251 1.126 2.840 1.00 0.76 N ATOM 354 CA ILE A 23 -17.992 0.474 2.476 1.00 0.66 C ATOM 355 C ILE A 23 -18.149 -1.044 2.463 1.00 0.64 C ATOM 356 O ILE A 23 -17.569 -1.729 1.622 1.00 0.58 O ATOM 357 CB ILE A 23 -16.853 0.863 3.449 1.00 0.63 C ATOM 358 CG1 ILE A 23 -16.717 2.387 3.537 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.537 0.235 3.012 1.00 0.57 C ATOM 360 CD1 ILE A 23 -16.414 3.057 2.213 1.00 0.66 C ATOM 0 H ILE A 23 -19.173 1.780 3.619 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.730 0.817 1.475 1.00 0.66 H new ATOM 0 HB ILE A 23 -17.104 0.482 4.439 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -17.642 2.801 3.939 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.925 2.630 4.245 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -14.749 0.520 3.709 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.637 -0.850 3.002 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -15.281 0.585 2.012 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -16.333 4.134 2.360 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -15.473 2.673 1.818 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -17.217 2.847 1.507 1.00 0.66 H new ATOM 372 N GLU A 24 -18.956 -1.557 3.385 1.00 0.72 N ATOM 373 CA GLU A 24 -19.198 -2.995 3.489 1.00 0.74 C ATOM 374 C GLU A 24 -19.750 -3.565 2.178 1.00 0.74 C ATOM 375 O GLU A 24 -19.362 -4.655 1.761 1.00 0.74 O ATOM 376 CB GLU A 24 -20.161 -3.281 4.644 1.00 0.85 C ATOM 377 CG GLU A 24 -21.522 -2.627 4.476 1.00 0.98 C ATOM 378 CD GLU A 24 -22.368 -2.684 5.726 1.00 1.04 C ATOM 379 OE1 GLU A 24 -22.132 -3.572 6.574 1.00 1.71 O ATOM 380 OE2 GLU A 24 -23.275 -1.841 5.865 1.00 1.16 O ATOM 0 H GLU A 24 -19.457 -0.997 4.075 1.00 0.72 H new ATOM 0 HA GLU A 24 -18.246 -3.486 3.688 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -20.294 -4.359 4.737 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -19.712 -2.934 5.575 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -21.384 -1.585 4.186 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -22.055 -3.117 3.661 1.00 0.98 H new ATOM 387 N ASN A 25 -20.632 -2.817 1.516 1.00 0.79 N ATOM 388 CA ASN A 25 -21.219 -3.267 0.258 1.00 0.82 C ATOM 389 C ASN A 25 -20.165 -3.265 -0.837 1.00 0.74 C ATOM 390 O ASN A 25 -20.144 -4.146 -1.697 1.00 0.75 O ATOM 391 CB ASN A 25 -22.399 -2.378 -0.147 1.00 0.92 C ATOM 392 CG ASN A 25 -23.152 -2.926 -1.350 1.00 1.03 C ATOM 393 OD1 ASN A 25 -23.234 -4.139 -1.549 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.711 -2.038 -2.160 1.00 1.11 N ATOM 0 H ASN A 25 -20.954 -1.901 1.829 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.590 -4.282 0.398 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -23.085 -2.283 0.695 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -22.034 -1.377 -0.375 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -24.230 -2.352 -2.980 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.622 -1.041 -1.963 1.00 1.11 H new ATOM 401 N VAL A 26 -19.282 -2.277 -0.793 1.00 0.69 N ATOM 402 CA VAL A 26 -18.209 -2.171 -1.770 1.00 0.63 C ATOM 403 C VAL A 26 -17.272 -3.367 -1.631 1.00 0.57 C ATOM 404 O VAL A 26 -16.846 -3.961 -2.623 1.00 0.57 O ATOM 405 CB VAL A 26 -17.400 -0.867 -1.600 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.488 -0.641 -2.796 1.00 0.58 C ATOM 407 CG2 VAL A 26 -18.326 0.325 -1.403 1.00 0.69 C ATOM 0 H VAL A 26 -19.288 -1.537 -0.091 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.664 -2.157 -2.760 1.00 0.63 H new ATOM 0 HB VAL A 26 -16.781 -0.968 -0.709 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.927 0.283 -2.656 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.794 -1.477 -2.887 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -17.089 -0.567 -3.703 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -17.732 1.232 -1.286 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -18.977 0.427 -2.271 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -18.933 0.171 -0.511 1.00 0.69 H new ATOM 417 N LYS A 27 -16.980 -3.727 -0.382 1.00 0.55 N ATOM 418 CA LYS A 27 -16.106 -4.859 -0.090 1.00 0.53 C ATOM 419 C LYS A 27 -16.742 -6.157 -0.578 1.00 0.57 C ATOM 420 O LYS A 27 -16.065 -7.020 -1.142 1.00 0.57 O ATOM 421 CB LYS A 27 -15.821 -4.944 1.414 1.00 0.56 C ATOM 422 CG LYS A 27 -15.248 -3.660 2.000 1.00 0.57 C ATOM 423 CD LYS A 27 -14.909 -3.812 3.473 1.00 0.60 C ATOM 424 CE LYS A 27 -13.516 -4.378 3.657 1.00 0.89 C ATOM 425 NZ LYS A 27 -13.133 -4.473 5.090 1.00 1.00 N ATOM 0 H LYS A 27 -17.338 -3.249 0.445 1.00 0.55 H new ATOM 0 HA LYS A 27 -15.162 -4.710 -0.614 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.745 -5.191 1.937 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -15.123 -5.760 1.597 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -14.351 -3.378 1.448 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -15.968 -2.851 1.875 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -14.979 -2.843 3.967 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -15.637 -4.467 3.951 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -13.465 -5.368 3.203 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -12.798 -3.749 3.132 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -12.152 -4.148 5.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.767 -3.877 5.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.211 -5.461 5.405 1.00 1.00 H new ATOM 439 N ALA A 28 -18.049 -6.280 -0.369 1.00 0.64 N ATOM 440 CA ALA A 28 -18.784 -7.463 -0.795 1.00 0.71 C ATOM 441 C ALA A 28 -18.757 -7.593 -2.313 1.00 0.73 C ATOM 442 O ALA A 28 -18.721 -8.701 -2.852 1.00 0.78 O ATOM 443 CB ALA A 28 -20.217 -7.406 -0.289 1.00 0.77 C ATOM 0 H ALA A 28 -18.620 -5.573 0.094 1.00 0.64 H new ATOM 0 HA ALA A 28 -18.301 -8.342 -0.368 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -20.754 -8.297 -0.615 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -20.217 -7.361 0.800 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.709 -6.519 -0.689 1.00 0.77 H new ATOM 449 N LYS A 29 -18.763 -6.451 -2.998 1.00 0.72 N ATOM 450 CA LYS A 29 -18.722 -6.434 -4.452 1.00 0.76 C ATOM 451 C LYS A 29 -17.381 -6.963 -4.949 1.00 0.72 C ATOM 452 O LYS A 29 -17.325 -7.743 -5.899 1.00 0.76 O ATOM 453 CB LYS A 29 -18.954 -5.021 -4.985 1.00 0.79 C ATOM 454 CG LYS A 29 -20.356 -4.793 -5.526 1.00 1.12 C ATOM 455 CD LYS A 29 -20.382 -3.639 -6.511 1.00 1.05 C ATOM 456 CE LYS A 29 -21.751 -3.468 -7.150 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.687 -2.593 -8.350 1.00 1.56 N ATOM 0 H LYS A 29 -18.796 -5.528 -2.566 1.00 0.72 H new ATOM 0 HA LYS A 29 -19.519 -7.079 -4.822 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -18.762 -4.305 -4.186 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -18.232 -4.818 -5.776 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -20.712 -5.700 -6.015 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -21.038 -4.586 -4.701 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -20.103 -2.718 -5.998 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.637 -3.809 -7.289 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -22.147 -4.444 -7.431 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -22.442 -3.041 -6.423 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -22.594 -2.632 -8.857 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -21.497 -1.614 -8.056 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -20.925 -2.920 -8.978 1.00 1.56 H new ATOM 471 N ILE A 30 -16.301 -6.538 -4.298 1.00 0.67 N ATOM 472 CA ILE A 30 -14.964 -6.988 -4.664 1.00 0.63 C ATOM 473 C ILE A 30 -14.832 -8.489 -4.408 1.00 0.64 C ATOM 474 O ILE A 30 -14.128 -9.202 -5.130 1.00 0.66 O ATOM 475 CB ILE A 30 -13.869 -6.213 -3.891 1.00 0.59 C ATOM 476 CG1 ILE A 30 -13.997 -4.709 -4.164 1.00 0.65 C ATOM 477 CG2 ILE A 30 -12.481 -6.714 -4.276 1.00 0.56 C ATOM 478 CD1 ILE A 30 -12.985 -3.864 -3.420 1.00 0.68 C ATOM 0 H ILE A 30 -16.327 -5.884 -3.516 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.821 -6.788 -5.726 1.00 0.63 H new ATOM 0 HB ILE A 30 -14.006 -6.387 -2.824 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.887 -4.533 -5.234 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -15.000 -4.384 -3.889 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.726 -6.156 -3.722 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -12.398 -7.774 -4.037 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -12.326 -6.570 -5.345 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -13.139 -2.813 -3.664 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -13.109 -4.009 -2.347 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -11.978 -4.161 -3.713 1.00 0.68 H new ATOM 490 N GLN A 31 -15.540 -8.964 -3.390 1.00 0.64 N ATOM 491 CA GLN A 31 -15.536 -10.377 -3.041 1.00 0.67 C ATOM 492 C GLN A 31 -16.227 -11.190 -4.132 1.00 0.74 C ATOM 493 O GLN A 31 -15.860 -12.330 -4.401 1.00 0.83 O ATOM 494 CB GLN A 31 -16.254 -10.597 -1.708 1.00 0.69 C ATOM 495 CG GLN A 31 -16.310 -12.055 -1.286 1.00 0.77 C ATOM 496 CD GLN A 31 -17.421 -12.336 -0.295 1.00 0.88 C ATOM 497 OE1 GLN A 31 -17.823 -11.461 0.468 1.00 0.90 O ATOM 498 NE2 GLN A 31 -17.920 -13.560 -0.298 1.00 1.10 N ATOM 0 H GLN A 31 -16.127 -8.386 -2.789 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.501 -10.706 -2.948 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.749 -10.021 -0.932 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -17.270 -10.209 -1.783 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -16.450 -12.679 -2.169 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -15.355 -12.338 -0.844 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -17.557 -14.257 -0.948 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -18.668 -13.807 0.350 1.00 1.10 H new ATOM 507 N ASP A 32 -17.218 -10.587 -4.764 1.00 0.76 N ATOM 508 CA ASP A 32 -17.971 -11.256 -5.818 1.00 0.87 C ATOM 509 C ASP A 32 -17.240 -11.191 -7.153 1.00 0.88 C ATOM 510 O ASP A 32 -17.402 -12.063 -8.005 1.00 0.97 O ATOM 511 CB ASP A 32 -19.355 -10.624 -5.956 1.00 0.95 C ATOM 512 CG ASP A 32 -20.465 -11.653 -5.965 1.00 1.15 C ATOM 513 OD1 ASP A 32 -20.533 -12.457 -6.916 1.00 1.37 O ATOM 514 OD2 ASP A 32 -21.278 -11.662 -5.019 1.00 1.45 O ATOM 0 H ASP A 32 -17.523 -9.634 -4.568 1.00 0.76 H new ATOM 0 HA ASP A 32 -18.075 -12.305 -5.539 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.516 -9.928 -5.133 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -19.395 -10.043 -6.877 1.00 0.95 H new ATOM 519 N LYS A 33 -16.432 -10.156 -7.331 1.00 0.82 N ATOM 520 CA LYS A 33 -15.694 -9.973 -8.574 1.00 0.87 C ATOM 521 C LYS A 33 -14.327 -10.656 -8.540 1.00 0.84 C ATOM 522 O LYS A 33 -14.049 -11.536 -9.354 1.00 0.92 O ATOM 523 CB LYS A 33 -15.534 -8.484 -8.877 1.00 0.85 C ATOM 524 CG LYS A 33 -16.859 -7.782 -9.113 1.00 1.06 C ATOM 525 CD LYS A 33 -16.667 -6.410 -9.736 1.00 1.25 C ATOM 526 CE LYS A 33 -18.000 -5.778 -10.104 1.00 1.51 C ATOM 527 NZ LYS A 33 -17.830 -4.550 -10.921 1.00 1.50 N ATOM 0 H LYS A 33 -16.270 -9.431 -6.632 1.00 0.82 H new ATOM 0 HA LYS A 33 -16.272 -10.445 -9.369 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -15.017 -8.003 -8.047 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -14.903 -8.364 -9.758 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -17.483 -8.393 -9.765 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -17.390 -7.680 -8.167 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -16.136 -5.763 -9.038 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -16.045 -6.497 -10.627 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -18.603 -6.499 -10.656 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -18.549 -5.534 -9.194 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -18.029 -3.714 -10.336 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -16.853 -4.501 -11.274 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -18.488 -4.575 -11.726 1.00 1.50 H new ATOM 541 N GLU A 34 -13.475 -10.257 -7.606 1.00 0.80 N ATOM 542 CA GLU A 34 -12.140 -10.836 -7.502 1.00 0.81 C ATOM 543 C GLU A 34 -12.138 -12.075 -6.614 1.00 0.83 C ATOM 544 O GLU A 34 -11.379 -13.012 -6.851 1.00 1.03 O ATOM 545 CB GLU A 34 -11.146 -9.799 -6.969 1.00 0.76 C ATOM 546 CG GLU A 34 -10.398 -9.051 -8.067 1.00 0.83 C ATOM 547 CD GLU A 34 -9.509 -9.960 -8.895 1.00 0.95 C ATOM 548 OE1 GLU A 34 -10.023 -10.614 -9.828 1.00 1.33 O ATOM 549 OE2 GLU A 34 -8.291 -10.022 -8.622 1.00 1.47 O ATOM 0 H GLU A 34 -13.681 -9.539 -6.912 1.00 0.80 H new ATOM 0 HA GLU A 34 -11.831 -11.140 -8.502 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -11.682 -9.079 -6.350 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -10.423 -10.299 -6.324 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -11.118 -8.560 -8.721 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -9.790 -8.267 -7.617 1.00 0.83 H new ATOM 556 N GLY A 35 -12.988 -12.081 -5.598 1.00 0.73 N ATOM 557 CA GLY A 35 -13.053 -13.221 -4.705 1.00 0.76 C ATOM 558 C GLY A 35 -12.341 -12.974 -3.390 1.00 0.75 C ATOM 559 O GLY A 35 -12.008 -13.915 -2.674 1.00 0.93 O ATOM 0 H GLY A 35 -13.631 -11.321 -5.376 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -14.097 -13.464 -4.508 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -12.611 -14.088 -5.196 1.00 0.76 H new ATOM 563 N ILE A 36 -12.101 -11.711 -3.071 1.00 0.64 N ATOM 564 CA ILE A 36 -11.422 -11.356 -1.831 1.00 0.63 C ATOM 565 C ILE A 36 -12.441 -11.070 -0.728 1.00 0.62 C ATOM 566 O ILE A 36 -13.223 -10.127 -0.836 1.00 0.62 O ATOM 567 CB ILE A 36 -10.507 -10.127 -2.020 1.00 0.63 C ATOM 568 CG1 ILE A 36 -9.564 -10.349 -3.207 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.711 -9.857 -0.747 1.00 0.68 C ATOM 570 CD1 ILE A 36 -8.799 -9.110 -3.622 1.00 0.76 C ATOM 0 H ILE A 36 -12.365 -10.915 -3.652 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.802 -12.205 -1.542 1.00 0.63 H new ATOM 0 HB ILE A 36 -11.128 -9.256 -2.228 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.853 -11.135 -2.952 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -10.144 -10.708 -4.057 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -9.071 -8.988 -0.896 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -10.398 -9.665 0.078 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -9.095 -10.725 -0.512 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -8.153 -9.347 -4.468 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -9.502 -8.328 -3.910 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -8.191 -8.762 -2.787 1.00 0.76 H new ATOM 582 N PRO A 37 -12.450 -11.900 0.333 1.00 0.68 N ATOM 583 CA PRO A 37 -13.377 -11.745 1.465 1.00 0.72 C ATOM 584 C PRO A 37 -13.297 -10.357 2.100 1.00 0.66 C ATOM 585 O PRO A 37 -12.232 -9.741 2.137 1.00 0.64 O ATOM 586 CB PRO A 37 -12.917 -12.819 2.454 1.00 0.86 C ATOM 587 CG PRO A 37 -12.216 -13.830 1.620 1.00 0.91 C ATOM 588 CD PRO A 37 -11.557 -13.061 0.510 1.00 0.75 C ATOM 0 HA PRO A 37 -14.417 -11.852 1.156 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -12.253 -12.401 3.210 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -13.763 -13.259 2.981 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -11.479 -14.378 2.207 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -12.918 -14.564 1.224 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -10.545 -12.755 0.777 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.481 -13.654 -0.401 1.00 0.75 H new ATOM 596 N PRO A 38 -14.427 -9.856 2.624 1.00 0.68 N ATOM 597 CA PRO A 38 -14.497 -8.524 3.239 1.00 0.65 C ATOM 598 C PRO A 38 -13.646 -8.393 4.503 1.00 0.65 C ATOM 599 O PRO A 38 -13.220 -7.294 4.856 1.00 0.70 O ATOM 600 CB PRO A 38 -15.982 -8.360 3.578 1.00 0.71 C ATOM 601 CG PRO A 38 -16.514 -9.749 3.659 1.00 0.79 C ATOM 602 CD PRO A 38 -15.728 -10.548 2.660 1.00 0.78 C ATOM 0 HA PRO A 38 -14.106 -7.760 2.566 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -16.115 -7.831 4.521 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -16.500 -7.783 2.812 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.396 -10.155 4.664 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.579 -9.774 3.428 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.623 -11.588 2.969 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -16.208 -10.554 1.682 1.00 0.78 H new ATOM 610 N ASP A 39 -13.383 -9.509 5.171 1.00 0.68 N ATOM 611 CA ASP A 39 -12.593 -9.489 6.403 1.00 0.74 C ATOM 612 C ASP A 39 -11.100 -9.388 6.106 1.00 0.82 C ATOM 613 O ASP A 39 -10.337 -8.838 6.900 1.00 0.99 O ATOM 614 CB ASP A 39 -12.882 -10.720 7.278 1.00 0.80 C ATOM 615 CG ASP A 39 -12.870 -12.040 6.520 1.00 1.51 C ATOM 616 OD1 ASP A 39 -12.235 -12.128 5.451 1.00 2.52 O ATOM 617 OD2 ASP A 39 -13.504 -13.003 7.003 1.00 1.85 O ATOM 0 H ASP A 39 -13.701 -10.435 4.886 1.00 0.68 H new ATOM 0 HA ASP A 39 -12.891 -8.600 6.959 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -12.142 -10.766 8.077 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -13.856 -10.595 7.752 1.00 0.80 H new ATOM 622 N GLN A 40 -10.689 -9.906 4.961 1.00 0.87 N ATOM 623 CA GLN A 40 -9.287 -9.872 4.564 1.00 1.00 C ATOM 624 C GLN A 40 -9.061 -8.789 3.516 1.00 0.98 C ATOM 625 O GLN A 40 -8.063 -8.791 2.797 1.00 1.24 O ATOM 626 CB GLN A 40 -8.860 -11.244 4.036 1.00 1.14 C ATOM 627 CG GLN A 40 -8.859 -12.323 5.110 1.00 1.29 C ATOM 628 CD GLN A 40 -9.204 -13.695 4.569 1.00 1.35 C ATOM 629 OE1 GLN A 40 -8.326 -14.459 4.168 1.00 1.73 O ATOM 630 NE2 GLN A 40 -10.487 -14.017 4.558 1.00 1.64 N ATOM 0 H GLN A 40 -11.307 -10.357 4.286 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.675 -9.633 5.434 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -9.531 -11.542 3.231 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -7.861 -11.167 3.606 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.876 -12.360 5.579 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -9.574 -12.055 5.888 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -11.182 -13.354 4.900 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -10.781 -14.929 4.208 1.00 1.64 H new ATOM 639 N GLN A 41 -9.998 -7.856 3.460 1.00 0.78 N ATOM 640 CA GLN A 41 -9.942 -6.753 2.519 1.00 0.81 C ATOM 641 C GLN A 41 -9.605 -5.462 3.253 1.00 0.67 C ATOM 642 O GLN A 41 -10.454 -4.889 3.944 1.00 0.78 O ATOM 643 CB GLN A 41 -11.292 -6.611 1.820 1.00 0.89 C ATOM 644 CG GLN A 41 -11.207 -6.522 0.311 1.00 0.95 C ATOM 645 CD GLN A 41 -12.562 -6.283 -0.311 1.00 0.83 C ATOM 646 OE1 GLN A 41 -12.981 -5.142 -0.483 1.00 1.44 O ATOM 647 NE2 GLN A 41 -13.264 -7.355 -0.639 1.00 0.79 N ATOM 0 H GLN A 41 -10.818 -7.844 4.066 1.00 0.78 H new ATOM 0 HA GLN A 41 -9.169 -6.952 1.777 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -11.917 -7.463 2.087 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -11.791 -5.718 2.197 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -10.531 -5.714 0.032 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -10.782 -7.445 -0.085 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -12.878 -8.286 -0.479 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -14.191 -7.251 -1.052 1.00 0.79 H new ATOM 656 N ARG A 42 -8.371 -5.005 3.126 1.00 0.56 N ATOM 657 CA ARG A 42 -7.957 -3.782 3.789 1.00 0.56 C ATOM 658 C ARG A 42 -7.920 -2.618 2.804 1.00 0.50 C ATOM 659 O ARG A 42 -6.963 -2.454 2.048 1.00 0.52 O ATOM 660 CB ARG A 42 -6.591 -3.957 4.454 1.00 0.77 C ATOM 661 CG ARG A 42 -6.334 -2.946 5.555 1.00 0.95 C ATOM 662 CD ARG A 42 -5.088 -3.288 6.355 1.00 1.24 C ATOM 663 NE ARG A 42 -5.082 -2.613 7.652 1.00 1.62 N ATOM 664 CZ ARG A 42 -4.057 -1.910 8.128 1.00 2.19 C ATOM 665 NH1 ARG A 42 -2.930 -1.807 7.438 1.00 2.48 N ATOM 666 NH2 ARG A 42 -4.157 -1.326 9.313 1.00 2.87 N ATOM 0 H ARG A 42 -7.643 -5.459 2.574 1.00 0.56 H new ATOM 0 HA ARG A 42 -8.690 -3.557 4.563 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -6.521 -4.963 4.868 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -5.811 -3.869 3.698 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -6.225 -1.953 5.119 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -7.195 -2.908 6.222 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -5.035 -4.366 6.505 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -4.201 -3.001 5.790 1.00 1.24 H new ATOM 0 HE ARG A 42 -5.919 -2.686 8.230 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -2.842 -2.269 6.533 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -2.151 -1.266 7.812 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -5.016 -1.416 9.855 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -3.375 -0.786 9.683 1.00 2.87 H new ATOM 680 N LEU A 43 -8.982 -1.827 2.808 1.00 0.50 N ATOM 681 CA LEU A 43 -9.081 -0.670 1.933 1.00 0.46 C ATOM 682 C LEU A 43 -8.622 0.579 2.674 1.00 0.49 C ATOM 683 O LEU A 43 -9.316 1.070 3.563 1.00 0.51 O ATOM 684 CB LEU A 43 -10.520 -0.483 1.445 1.00 0.43 C ATOM 685 CG LEU A 43 -11.002 -1.515 0.425 1.00 0.45 C ATOM 686 CD1 LEU A 43 -12.509 -1.408 0.232 1.00 0.46 C ATOM 687 CD2 LEU A 43 -10.281 -1.326 -0.900 1.00 0.50 C ATOM 0 H LEU A 43 -9.792 -1.967 3.412 1.00 0.50 H new ATOM 0 HA LEU A 43 -8.439 -0.835 1.067 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -11.186 -0.511 2.308 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -10.611 0.510 1.004 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.773 -2.511 0.804 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.836 -2.149 -0.497 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -13.011 -1.588 1.183 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -12.760 -0.410 -0.128 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.635 -2.068 -1.616 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -10.482 -0.326 -1.284 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -9.208 -1.448 -0.751 1.00 0.50 H new ATOM 699 N ILE A 44 -7.449 1.074 2.323 1.00 0.52 N ATOM 700 CA ILE A 44 -6.906 2.261 2.967 1.00 0.57 C ATOM 701 C ILE A 44 -6.965 3.459 2.026 1.00 0.53 C ATOM 702 O ILE A 44 -6.545 3.379 0.869 1.00 0.52 O ATOM 703 CB ILE A 44 -5.453 2.037 3.437 1.00 0.65 C ATOM 704 CG1 ILE A 44 -5.329 0.688 4.160 1.00 0.78 C ATOM 705 CG2 ILE A 44 -5.013 3.171 4.354 1.00 0.73 C ATOM 706 CD1 ILE A 44 -3.912 0.342 4.575 1.00 0.92 C ATOM 0 H ILE A 44 -6.853 0.675 1.597 1.00 0.52 H new ATOM 0 HA ILE A 44 -7.521 2.464 3.844 1.00 0.57 H new ATOM 0 HB ILE A 44 -4.802 2.024 2.563 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -5.964 0.702 5.046 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -5.709 -0.099 3.508 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -3.986 3.000 4.678 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -5.071 4.117 3.816 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -5.667 3.209 5.225 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -3.906 -0.624 5.079 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -3.276 0.294 3.691 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -3.534 1.107 5.253 1.00 0.92 H new ATOM 718 N PHE A 45 -7.500 4.564 2.526 1.00 0.55 N ATOM 719 CA PHE A 45 -7.622 5.779 1.742 1.00 0.57 C ATOM 720 C PHE A 45 -7.057 6.965 2.515 1.00 0.61 C ATOM 721 O PHE A 45 -7.471 7.231 3.643 1.00 0.67 O ATOM 722 CB PHE A 45 -9.093 6.027 1.387 1.00 0.61 C ATOM 723 CG PHE A 45 -9.328 7.243 0.533 1.00 0.68 C ATOM 724 CD1 PHE A 45 -8.814 7.317 -0.752 1.00 0.76 C ATOM 725 CD2 PHE A 45 -10.067 8.310 1.020 1.00 0.83 C ATOM 726 CE1 PHE A 45 -9.034 8.433 -1.536 1.00 0.87 C ATOM 727 CE2 PHE A 45 -10.288 9.429 0.241 1.00 0.93 C ATOM 728 CZ PHE A 45 -9.772 9.490 -1.039 1.00 0.90 C ATOM 0 H PHE A 45 -7.858 4.641 3.478 1.00 0.55 H new ATOM 0 HA PHE A 45 -7.052 5.663 0.820 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -9.481 5.152 0.867 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.665 6.129 2.309 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -8.236 6.494 -1.144 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -10.474 8.266 2.019 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -8.630 8.479 -2.536 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -10.863 10.255 0.632 1.00 0.93 H new ATOM 0 HZ PHE A 45 -9.945 10.363 -1.651 1.00 0.90 H new ATOM 738 N ALA A 46 -6.077 7.639 1.914 1.00 0.68 N ATOM 739 CA ALA A 46 -5.433 8.811 2.513 1.00 0.81 C ATOM 740 C ALA A 46 -4.729 8.475 3.831 1.00 0.80 C ATOM 741 O ALA A 46 -4.437 9.363 4.629 1.00 1.25 O ATOM 742 CB ALA A 46 -6.446 9.937 2.721 1.00 0.91 C ATOM 0 H ALA A 46 -5.706 7.389 0.997 1.00 0.68 H new ATOM 0 HA ALA A 46 -4.668 9.148 1.813 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -5.947 10.798 3.167 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -6.874 10.223 1.760 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -7.240 9.594 3.384 1.00 0.91 H new ATOM 748 N GLY A 47 -4.453 7.193 4.050 1.00 0.91 N ATOM 749 CA GLY A 47 -3.779 6.776 5.268 1.00 0.94 C ATOM 750 C GLY A 47 -4.726 6.165 6.283 1.00 0.96 C ATOM 751 O GLY A 47 -4.292 5.502 7.223 1.00 1.23 O ATOM 0 H GLY A 47 -4.683 6.436 3.407 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -3.004 6.052 5.019 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -3.280 7.636 5.715 1.00 0.94 H new ATOM 755 N LYS A 48 -6.015 6.385 6.090 1.00 0.77 N ATOM 756 CA LYS A 48 -7.031 5.862 6.995 1.00 0.83 C ATOM 757 C LYS A 48 -7.763 4.684 6.361 1.00 0.71 C ATOM 758 O LYS A 48 -8.216 4.766 5.217 1.00 0.65 O ATOM 759 CB LYS A 48 -8.026 6.975 7.352 1.00 0.96 C ATOM 760 CG LYS A 48 -9.372 6.480 7.860 1.00 1.43 C ATOM 761 CD LYS A 48 -9.354 6.209 9.356 1.00 1.89 C ATOM 762 CE LYS A 48 -10.654 5.562 9.810 1.00 2.45 C ATOM 763 NZ LYS A 48 -10.858 5.684 11.277 1.00 3.10 N ATOM 0 H LYS A 48 -6.387 6.926 5.310 1.00 0.77 H new ATOM 0 HA LYS A 48 -6.543 5.510 7.904 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.578 7.615 8.112 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.190 7.594 6.470 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -10.139 7.222 7.636 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -9.646 5.568 7.330 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -8.515 5.558 9.601 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -9.201 7.143 9.896 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -11.491 6.027 9.288 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -10.650 4.508 9.532 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -11.747 5.215 11.544 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -10.065 5.233 11.776 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -10.905 6.689 11.539 1.00 3.10 H new ATOM 777 N GLN A 49 -7.852 3.583 7.095 1.00 0.76 N ATOM 778 CA GLN A 49 -8.556 2.410 6.607 1.00 0.69 C ATOM 779 C GLN A 49 -10.061 2.644 6.700 1.00 0.66 C ATOM 780 O GLN A 49 -10.565 3.117 7.721 1.00 0.79 O ATOM 781 CB GLN A 49 -8.144 1.152 7.383 1.00 0.81 C ATOM 782 CG GLN A 49 -8.373 1.233 8.885 1.00 1.02 C ATOM 783 CD GLN A 49 -7.639 0.145 9.649 1.00 1.26 C ATOM 784 OE1 GLN A 49 -7.404 -0.950 9.132 1.00 1.53 O ATOM 785 NE2 GLN A 49 -7.266 0.435 10.885 1.00 1.76 N ATOM 0 H GLN A 49 -7.447 3.480 8.025 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.287 2.247 5.564 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -8.698 0.300 6.989 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.087 0.957 7.199 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.047 2.208 9.246 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -9.441 1.158 9.090 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -7.478 1.351 11.280 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -6.767 -0.258 11.443 1.00 1.76 H new ATOM 794 N LEU A 50 -10.766 2.335 5.624 1.00 0.54 N ATOM 795 CA LEU A 50 -12.206 2.534 5.570 1.00 0.55 C ATOM 796 C LEU A 50 -12.943 1.557 6.479 1.00 0.60 C ATOM 797 O LEU A 50 -12.734 0.343 6.402 1.00 0.60 O ATOM 798 CB LEU A 50 -12.710 2.374 4.132 1.00 0.50 C ATOM 799 CG LEU A 50 -11.949 3.182 3.079 1.00 0.47 C ATOM 800 CD1 LEU A 50 -12.498 2.894 1.692 1.00 0.46 C ATOM 801 CD2 LEU A 50 -12.023 4.668 3.382 1.00 0.51 C ATOM 0 H LEU A 50 -10.363 1.944 4.773 1.00 0.54 H new ATOM 0 HA LEU A 50 -12.410 3.546 5.920 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.661 1.319 3.862 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.761 2.663 4.098 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.902 2.881 3.108 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.946 3.476 0.954 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -12.390 1.832 1.471 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -13.553 3.167 1.654 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -11.475 5.222 2.620 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -13.065 4.987 3.384 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -11.582 4.862 4.360 1.00 0.51 H new ATOM 813 N GLU A 51 -13.805 2.092 7.331 1.00 0.70 N ATOM 814 CA GLU A 51 -14.582 1.272 8.245 1.00 0.78 C ATOM 815 C GLU A 51 -15.852 0.782 7.551 1.00 0.76 C ATOM 816 O GLU A 51 -16.357 1.432 6.635 1.00 0.77 O ATOM 817 CB GLU A 51 -14.937 2.059 9.510 1.00 0.91 C ATOM 818 CG GLU A 51 -13.727 2.667 10.208 1.00 0.97 C ATOM 819 CD GLU A 51 -14.100 3.775 11.174 1.00 1.13 C ATOM 820 OE1 GLU A 51 -15.306 4.003 11.400 1.00 1.41 O ATOM 821 OE2 GLU A 51 -13.184 4.438 11.705 1.00 1.68 O ATOM 0 H GLU A 51 -13.983 3.093 7.407 1.00 0.70 H new ATOM 0 HA GLU A 51 -13.981 0.411 8.537 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -15.634 2.855 9.249 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -15.454 1.398 10.206 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.194 1.885 10.748 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -13.041 3.061 9.458 1.00 0.97 H new ATOM 828 N ASP A 52 -16.358 -0.364 7.991 1.00 0.79 N ATOM 829 CA ASP A 52 -17.563 -0.956 7.406 1.00 0.81 C ATOM 830 C ASP A 52 -18.779 -0.041 7.559 1.00 0.89 C ATOM 831 O ASP A 52 -19.540 0.148 6.607 1.00 0.95 O ATOM 832 CB ASP A 52 -17.856 -2.329 8.028 1.00 0.90 C ATOM 833 CG ASP A 52 -17.675 -2.355 9.534 1.00 1.29 C ATOM 834 OD1 ASP A 52 -18.523 -1.790 10.252 1.00 1.74 O ATOM 835 OD2 ASP A 52 -16.669 -2.930 10.009 1.00 1.69 O ATOM 0 H ASP A 52 -15.953 -0.906 8.754 1.00 0.79 H new ATOM 0 HA ASP A 52 -17.371 -1.084 6.341 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -18.879 -2.619 7.787 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -17.199 -3.073 7.577 1.00 0.90 H new ATOM 840 N GLY A 53 -18.954 0.533 8.743 1.00 0.95 N ATOM 841 CA GLY A 53 -20.082 1.414 8.985 1.00 1.05 C ATOM 842 C GLY A 53 -19.815 2.833 8.530 1.00 1.07 C ATOM 843 O GLY A 53 -19.938 3.778 9.308 1.00 1.28 O ATOM 0 H GLY A 53 -18.333 0.404 9.542 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -20.959 1.028 8.465 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -20.317 1.415 10.049 1.00 1.05 H new ATOM 847 N ARG A 54 -19.442 2.978 7.269 1.00 0.96 N ATOM 848 CA ARG A 54 -19.150 4.280 6.689 1.00 0.99 C ATOM 849 C ARG A 54 -19.615 4.316 5.241 1.00 0.95 C ATOM 850 O ARG A 54 -19.662 3.279 4.579 1.00 0.90 O ATOM 851 CB ARG A 54 -17.649 4.565 6.728 1.00 0.99 C ATOM 852 CG ARG A 54 -17.042 4.566 8.120 1.00 1.14 C ATOM 853 CD ARG A 54 -17.255 5.890 8.831 1.00 1.26 C ATOM 854 NE ARG A 54 -16.350 6.046 9.969 1.00 1.42 N ATOM 855 CZ ARG A 54 -15.868 7.215 10.383 1.00 1.73 C ATOM 856 NH1 ARG A 54 -16.203 8.340 9.766 1.00 1.94 N ATOM 857 NH2 ARG A 54 -15.046 7.262 11.420 1.00 1.92 N ATOM 0 H ARG A 54 -19.333 2.199 6.620 1.00 0.96 H new ATOM 0 HA ARG A 54 -19.676 5.036 7.272 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -17.135 3.819 6.122 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -17.464 5.534 6.265 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -17.484 3.763 8.709 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -15.974 4.359 8.050 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -17.100 6.709 8.129 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -18.287 5.956 9.175 1.00 1.26 H new ATOM 0 HE ARG A 54 -16.071 5.207 10.477 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -16.836 8.314 8.966 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -15.828 9.231 10.091 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -14.782 6.402 11.901 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -14.676 8.158 11.738 1.00 1.92 H new ATOM 871 N THR A 55 -19.951 5.500 4.756 1.00 0.99 N ATOM 872 CA THR A 55 -20.381 5.671 3.379 1.00 1.00 C ATOM 873 C THR A 55 -19.283 6.368 2.583 1.00 0.95 C ATOM 874 O THR A 55 -18.400 7.004 3.167 1.00 0.93 O ATOM 875 CB THR A 55 -21.684 6.494 3.296 1.00 1.11 C ATOM 876 OG1 THR A 55 -21.703 7.495 4.327 1.00 1.31 O ATOM 877 CG2 THR A 55 -22.900 5.594 3.438 1.00 1.07 C ATOM 0 H THR A 55 -19.934 6.362 5.300 1.00 0.99 H new ATOM 0 HA THR A 55 -20.575 4.684 2.958 1.00 1.00 H new ATOM 0 HB THR A 55 -21.719 6.978 2.320 1.00 1.11 H new ATOM 0 HG1 THR A 55 -22.533 8.013 4.265 1.00 1.31 H new ATOM 0 HG21 THR A 55 -23.807 6.195 3.376 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.900 4.854 2.638 1.00 1.07 H new ATOM 0 HG23 THR A 55 -22.866 5.086 4.402 1.00 1.07 H new ATOM 885 N LEU A 56 -19.329 6.253 1.261 1.00 0.98 N ATOM 886 CA LEU A 56 -18.323 6.882 0.404 1.00 0.95 C ATOM 887 C LEU A 56 -18.335 8.399 0.572 1.00 0.96 C ATOM 888 O LEU A 56 -17.295 9.055 0.519 1.00 0.95 O ATOM 889 CB LEU A 56 -18.567 6.516 -1.062 1.00 1.02 C ATOM 890 CG LEU A 56 -18.554 5.014 -1.369 1.00 1.06 C ATOM 891 CD1 LEU A 56 -19.119 4.747 -2.752 1.00 1.39 C ATOM 892 CD2 LEU A 56 -17.141 4.452 -1.262 1.00 0.84 C ATOM 0 H LEU A 56 -20.048 5.733 0.758 1.00 0.98 H new ATOM 0 HA LEU A 56 -17.344 6.510 0.704 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -19.530 6.925 -1.367 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -17.807 7.002 -1.673 1.00 1.02 H new ATOM 0 HG LEU A 56 -19.182 4.514 -0.632 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -19.101 3.676 -2.952 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -20.146 5.109 -2.801 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -18.516 5.265 -3.498 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -17.156 3.385 -1.484 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -16.492 4.962 -1.974 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -16.763 4.607 -0.251 1.00 0.84 H new ATOM 904 N SER A 57 -19.522 8.945 0.801 1.00 1.01 N ATOM 905 CA SER A 57 -19.692 10.380 0.977 1.00 1.06 C ATOM 906 C SER A 57 -19.148 10.858 2.321 1.00 1.03 C ATOM 907 O SER A 57 -18.840 12.036 2.487 1.00 1.06 O ATOM 908 CB SER A 57 -21.173 10.734 0.869 1.00 1.15 C ATOM 909 OG SER A 57 -21.732 10.209 -0.320 1.00 1.11 O ATOM 0 H SER A 57 -20.388 8.410 0.870 1.00 1.01 H new ATOM 0 HA SER A 57 -19.126 10.882 0.193 1.00 1.06 H new ATOM 0 HB2 SER A 57 -21.709 10.340 1.732 1.00 1.15 H new ATOM 0 HB3 SER A 57 -21.294 11.817 0.885 1.00 1.15 H new ATOM 0 HG SER A 57 -21.942 9.260 -0.192 1.00 1.11 H new ATOM 915 N ASP A 58 -19.015 9.941 3.272 1.00 1.00 N ATOM 916 CA ASP A 58 -18.524 10.286 4.601 1.00 0.99 C ATOM 917 C ASP A 58 -17.034 10.614 4.575 1.00 0.96 C ATOM 918 O ASP A 58 -16.564 11.479 5.315 1.00 1.03 O ATOM 919 CB ASP A 58 -18.790 9.143 5.581 1.00 1.03 C ATOM 920 CG ASP A 58 -18.369 9.489 6.991 1.00 1.13 C ATOM 921 OD1 ASP A 58 -18.990 10.382 7.599 1.00 1.81 O ATOM 922 OD2 ASP A 58 -17.430 8.857 7.509 1.00 1.23 O ATOM 0 H ASP A 58 -19.240 8.954 3.148 1.00 1.00 H new ATOM 0 HA ASP A 58 -19.062 11.174 4.933 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -19.852 8.898 5.571 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -18.254 8.253 5.252 1.00 1.03 H new ATOM 927 N TYR A 59 -16.300 9.931 3.709 1.00 0.88 N ATOM 928 CA TYR A 59 -14.865 10.153 3.587 1.00 0.87 C ATOM 929 C TYR A 59 -14.562 11.188 2.509 1.00 0.91 C ATOM 930 O TYR A 59 -13.402 11.394 2.150 1.00 0.95 O ATOM 931 CB TYR A 59 -14.149 8.844 3.253 1.00 0.83 C ATOM 932 CG TYR A 59 -14.079 7.866 4.404 1.00 0.82 C ATOM 933 CD1 TYR A 59 -13.237 8.091 5.486 1.00 0.94 C ATOM 934 CD2 TYR A 59 -14.848 6.710 4.401 1.00 0.90 C ATOM 935 CE1 TYR A 59 -13.160 7.189 6.531 1.00 1.07 C ATOM 936 CE2 TYR A 59 -14.779 5.807 5.443 1.00 1.03 C ATOM 937 CZ TYR A 59 -13.935 6.048 6.506 1.00 1.09 C ATOM 938 OH TYR A 59 -13.866 5.144 7.543 1.00 1.31 O ATOM 0 H TYR A 59 -16.673 9.219 3.081 1.00 0.88 H new ATOM 0 HA TYR A 59 -14.504 10.528 4.544 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -14.659 8.367 2.416 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -13.136 9.071 2.921 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -12.632 8.986 5.511 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -15.510 6.514 3.571 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -12.497 7.377 7.362 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -15.385 4.913 5.425 1.00 1.03 H new ATOM 0 HH TYR A 59 -13.645 5.615 8.373 1.00 1.31 H new ATOM 948 N ASN A 60 -15.613 11.832 1.999 1.00 0.95 N ATOM 949 CA ASN A 60 -15.478 12.844 0.949 1.00 1.02 C ATOM 950 C ASN A 60 -14.790 12.247 -0.278 1.00 0.96 C ATOM 951 O ASN A 60 -13.910 12.861 -0.882 1.00 1.00 O ATOM 952 CB ASN A 60 -14.699 14.065 1.470 1.00 1.15 C ATOM 953 CG ASN A 60 -14.938 15.323 0.645 1.00 1.19 C ATOM 954 OD1 ASN A 60 -14.236 15.589 -0.328 1.00 1.24 O ATOM 955 ND2 ASN A 60 -15.924 16.111 1.040 1.00 1.44 N ATOM 0 H ASN A 60 -16.574 11.669 2.299 1.00 0.95 H new ATOM 0 HA ASN A 60 -16.474 13.177 0.658 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -14.985 14.256 2.504 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -13.633 13.835 1.471 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -16.123 16.973 0.532 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -16.486 15.857 1.853 1.00 1.44 H new ATOM 962 N ILE A 61 -15.188 11.036 -0.639 1.00 0.88 N ATOM 963 CA ILE A 61 -14.607 10.368 -1.791 1.00 0.85 C ATOM 964 C ILE A 61 -15.188 10.931 -3.078 1.00 0.99 C ATOM 965 O ILE A 61 -16.397 10.873 -3.305 1.00 1.14 O ATOM 966 CB ILE A 61 -14.828 8.842 -1.736 1.00 0.77 C ATOM 967 CG1 ILE A 61 -14.153 8.258 -0.492 1.00 0.75 C ATOM 968 CG2 ILE A 61 -14.295 8.174 -2.993 1.00 0.81 C ATOM 969 CD1 ILE A 61 -14.389 6.775 -0.305 1.00 0.75 C ATOM 0 H ILE A 61 -15.907 10.500 -0.153 1.00 0.88 H new ATOM 0 HA ILE A 61 -13.533 10.552 -1.770 1.00 0.85 H new ATOM 0 HB ILE A 61 -15.899 8.649 -1.679 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -13.080 8.440 -0.554 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -14.516 8.788 0.389 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -14.462 7.099 -2.932 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -14.814 8.573 -3.865 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -13.227 8.371 -3.085 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -13.879 6.436 0.597 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -15.458 6.586 -0.210 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -14.000 6.233 -1.167 1.00 0.75 H new ATOM 981 N GLN A 62 -14.320 11.498 -3.900 1.00 1.02 N ATOM 982 CA GLN A 62 -14.727 12.080 -5.167 1.00 1.19 C ATOM 983 C GLN A 62 -14.233 11.220 -6.323 1.00 0.99 C ATOM 984 O GLN A 62 -13.744 10.108 -6.107 1.00 0.93 O ATOM 985 CB GLN A 62 -14.188 13.507 -5.286 1.00 1.46 C ATOM 986 CG GLN A 62 -14.886 14.489 -4.362 1.00 1.94 C ATOM 987 CD GLN A 62 -14.295 15.883 -4.436 1.00 1.99 C ATOM 988 OE1 GLN A 62 -14.722 16.706 -5.241 1.00 2.30 O ATOM 989 NE2 GLN A 62 -13.310 16.158 -3.595 1.00 2.35 N ATOM 0 H GLN A 62 -13.320 11.567 -3.709 1.00 1.02 H new ATOM 0 HA GLN A 62 -15.816 12.117 -5.207 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -13.121 13.505 -5.064 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -14.299 13.846 -6.316 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -15.944 14.533 -4.618 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -14.822 14.125 -3.336 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -12.984 15.446 -2.941 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -12.877 17.082 -3.601 1.00 2.35 H new ATOM 998 N LYS A 63 -14.363 11.727 -7.542 1.00 1.00 N ATOM 999 CA LYS A 63 -13.929 10.995 -8.727 1.00 0.98 C ATOM 1000 C LYS A 63 -12.407 10.862 -8.767 1.00 0.88 C ATOM 1001 O LYS A 63 -11.689 11.606 -8.091 1.00 0.95 O ATOM 1002 CB LYS A 63 -14.422 11.690 -9.994 1.00 1.20 C ATOM 1003 CG LYS A 63 -13.762 13.035 -10.242 1.00 1.20 C ATOM 1004 CD LYS A 63 -13.896 13.459 -11.689 1.00 1.48 C ATOM 1005 CE LYS A 63 -12.937 14.585 -12.016 1.00 1.48 C ATOM 1006 NZ LYS A 63 -12.803 14.785 -13.479 1.00 2.15 N ATOM 0 H LYS A 63 -14.766 12.643 -7.737 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.361 9.995 -8.677 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -14.239 11.041 -10.850 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.501 11.830 -9.926 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -14.215 13.788 -9.597 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -12.707 12.979 -9.974 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -13.699 12.608 -12.341 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -14.919 13.780 -11.884 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -13.288 15.507 -11.553 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -11.959 14.366 -11.588 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -12.139 15.564 -13.664 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -12.444 13.913 -13.917 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -13.732 15.019 -13.884 1.00 2.15 H new ATOM 1020 N GLU A 64 -11.931 9.910 -9.567 1.00 0.94 N ATOM 1021 CA GLU A 64 -10.499 9.645 -9.725 1.00 1.00 C ATOM 1022 C GLU A 64 -9.840 9.336 -8.380 1.00 0.85 C ATOM 1023 O GLU A 64 -8.652 9.594 -8.180 1.00 0.96 O ATOM 1024 CB GLU A 64 -9.799 10.832 -10.405 1.00 1.26 C ATOM 1025 CG GLU A 64 -9.777 10.740 -11.926 1.00 1.51 C ATOM 1026 CD GLU A 64 -11.159 10.796 -12.549 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -11.875 9.772 -12.506 1.00 1.88 O ATOM 1028 OE2 GLU A 64 -11.522 11.859 -13.101 1.00 2.05 O ATOM 0 H GLU A 64 -12.527 9.299 -10.126 1.00 0.94 H new ATOM 0 HA GLU A 64 -10.392 8.767 -10.362 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -10.301 11.754 -10.113 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -8.774 10.897 -10.039 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -9.173 11.555 -12.324 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -9.291 9.810 -12.220 1.00 1.51 H new ATOM 1035 N SER A 65 -10.612 8.762 -7.469 1.00 0.78 N ATOM 1036 CA SER A 65 -10.117 8.420 -6.150 1.00 0.83 C ATOM 1037 C SER A 65 -9.083 7.300 -6.233 1.00 0.73 C ATOM 1038 O SER A 65 -9.316 6.278 -6.874 1.00 0.73 O ATOM 1039 CB SER A 65 -11.290 7.999 -5.273 1.00 1.02 C ATOM 1040 OG SER A 65 -12.448 7.787 -6.063 1.00 1.05 O ATOM 0 H SER A 65 -11.591 8.523 -7.624 1.00 0.78 H new ATOM 0 HA SER A 65 -9.629 9.291 -5.713 1.00 0.83 H new ATOM 0 HB2 SER A 65 -11.039 7.086 -4.733 1.00 1.02 H new ATOM 0 HB3 SER A 65 -11.488 8.768 -4.526 1.00 1.02 H new ATOM 0 HG SER A 65 -12.882 8.647 -6.245 1.00 1.05 H new ATOM 1046 N THR A 66 -7.937 7.509 -5.602 1.00 0.74 N ATOM 1047 CA THR A 66 -6.876 6.517 -5.606 1.00 0.70 C ATOM 1048 C THR A 66 -6.848 5.755 -4.282 1.00 0.61 C ATOM 1049 O THR A 66 -6.347 6.254 -3.275 1.00 0.65 O ATOM 1050 CB THR A 66 -5.510 7.182 -5.847 1.00 0.82 C ATOM 1051 OG1 THR A 66 -5.620 8.149 -6.905 1.00 1.03 O ATOM 1052 CG2 THR A 66 -4.455 6.147 -6.210 1.00 1.01 C ATOM 0 H THR A 66 -7.719 8.358 -5.081 1.00 0.74 H new ATOM 0 HA THR A 66 -7.076 5.816 -6.416 1.00 0.70 H new ATOM 0 HB THR A 66 -5.204 7.677 -4.925 1.00 0.82 H new ATOM 0 HG1 THR A 66 -4.748 8.571 -7.054 1.00 1.03 H new ATOM 0 HG21 THR A 66 -3.499 6.644 -6.375 1.00 1.01 H new ATOM 0 HG22 THR A 66 -4.355 5.429 -5.396 1.00 1.01 H new ATOM 0 HG23 THR A 66 -4.754 5.626 -7.119 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.414 4.558 -4.284 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.445 3.729 -3.087 1.00 0.52 C ATOM 1062 C LEU A 67 -6.412 2.615 -3.179 1.00 0.51 C ATOM 1063 O LEU A 67 -6.007 2.219 -4.274 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.836 3.120 -2.879 1.00 0.51 C ATOM 1065 CG LEU A 67 -9.901 4.065 -2.309 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -10.482 4.946 -3.402 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -11.006 3.273 -1.625 1.00 0.69 C ATOM 0 H LEU A 67 -7.858 4.138 -5.101 1.00 0.56 H new ATOM 0 HA LEU A 67 -7.208 4.367 -2.236 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -9.191 2.738 -3.836 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -8.741 2.265 -2.210 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.423 4.707 -1.569 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -11.235 5.608 -2.974 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -9.687 5.542 -3.850 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.941 4.321 -4.168 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -11.753 3.960 -1.227 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.476 2.605 -2.347 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -10.582 2.686 -0.810 1.00 0.69 H new ATOM 1079 N HIS A 68 -5.981 2.115 -2.032 1.00 0.51 N ATOM 1080 CA HIS A 68 -5.006 1.038 -1.991 1.00 0.57 C ATOM 1081 C HIS A 68 -5.594 -0.174 -1.286 1.00 0.49 C ATOM 1082 O HIS A 68 -6.064 -0.079 -0.149 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.720 1.495 -1.297 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.534 1.524 -2.209 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.332 0.920 -1.909 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -2.372 2.087 -3.431 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.487 1.111 -2.905 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -1.092 1.816 -3.839 1.00 1.66 N ATOM 0 H HIS A 68 -6.292 2.439 -1.116 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.755 0.759 -3.014 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -3.874 2.491 -0.881 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.510 0.829 -0.460 1.00 0.68 H new ATOM 0 HD1 HIS A 68 -1.127 0.406 -1.052 1.00 1.16 H new ATOM 0 HD2 HIS A 68 -3.114 2.646 -3.982 1.00 1.50 H new ATOM 0 HE1 HIS A 68 0.530 0.750 -2.947 1.00 1.40 H new ATOM 1097 N LEU A 69 -5.577 -1.306 -1.971 1.00 0.54 N ATOM 1098 CA LEU A 69 -6.119 -2.540 -1.427 1.00 0.52 C ATOM 1099 C LEU A 69 -5.008 -3.436 -0.901 1.00 0.61 C ATOM 1100 O LEU A 69 -4.202 -3.971 -1.667 1.00 0.72 O ATOM 1101 CB LEU A 69 -6.942 -3.274 -2.495 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.459 -4.660 -2.102 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.317 -4.581 -0.847 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -8.246 -5.275 -3.247 1.00 0.84 C ATOM 0 H LEU A 69 -5.191 -1.395 -2.911 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.773 -2.288 -0.592 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -7.796 -2.651 -2.761 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -6.330 -3.376 -3.391 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.601 -5.297 -1.888 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.673 -5.578 -0.587 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.723 -4.182 -0.025 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -9.170 -3.927 -1.030 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -8.607 -6.260 -2.952 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -9.094 -4.635 -3.490 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -7.602 -5.371 -4.121 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.967 -3.579 0.414 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.974 -4.414 1.072 1.00 0.79 C ATOM 1118 C VAL A 70 -4.672 -5.618 1.705 1.00 0.76 C ATOM 1119 O VAL A 70 -5.903 -5.675 1.741 1.00 0.70 O ATOM 1120 CB VAL A 70 -3.192 -3.632 2.156 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -1.791 -4.207 2.326 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -3.121 -2.148 1.814 1.00 1.10 C ATOM 0 H VAL A 70 -5.618 -3.122 1.053 1.00 0.64 H new ATOM 0 HA VAL A 70 -3.255 -4.744 0.322 1.00 0.79 H new ATOM 0 HB VAL A 70 -3.727 -3.738 3.100 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -1.257 -3.644 3.092 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -1.861 -5.252 2.626 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -1.252 -4.136 1.382 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -2.567 -1.622 2.591 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -2.615 -2.019 0.857 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -4.130 -1.741 1.749 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.897 -6.577 2.190 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.464 -7.768 2.806 1.00 0.85 C ATOM 1134 C LEU A 71 -4.527 -7.625 4.326 1.00 0.87 C ATOM 1135 O LEU A 71 -5.454 -7.019 4.860 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.645 -9.006 2.421 1.00 0.95 C ATOM 1137 CG LEU A 71 -3.759 -9.430 0.957 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -2.714 -10.483 0.627 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -5.156 -9.956 0.662 1.00 1.37 C ATOM 0 H LEU A 71 -2.877 -6.554 2.169 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.482 -7.888 2.436 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -2.596 -8.813 2.646 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.958 -9.839 3.050 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.580 -8.557 0.330 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -2.809 -10.774 -0.419 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -1.718 -10.075 0.801 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.864 -11.356 1.262 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.219 -10.253 -0.385 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -5.362 -10.818 1.297 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -5.889 -9.174 0.862 1.00 1.37 H new ATOM 1151 N ARG A 72 -3.532 -8.171 5.017 1.00 1.17 N ATOM 1152 CA ARG A 72 -3.486 -8.107 6.470 1.00 1.21 C ATOM 1153 C ARG A 72 -2.086 -8.436 6.973 1.00 1.35 C ATOM 1154 O ARG A 72 -1.306 -9.092 6.277 1.00 1.52 O ATOM 1155 CB ARG A 72 -4.499 -9.089 7.077 1.00 1.30 C ATOM 1156 CG ARG A 72 -4.109 -10.554 6.931 1.00 1.46 C ATOM 1157 CD ARG A 72 -5.192 -11.481 7.465 1.00 1.36 C ATOM 1158 NE ARG A 72 -4.727 -12.866 7.589 1.00 1.51 N ATOM 1159 CZ ARG A 72 -4.927 -13.814 6.670 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -5.584 -13.536 5.549 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -4.472 -15.044 6.869 1.00 1.99 N ATOM 0 H ARG A 72 -2.746 -8.663 4.592 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.743 -7.093 6.778 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -4.621 -8.860 8.136 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -5.468 -8.933 6.604 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -3.924 -10.778 5.881 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -3.177 -10.737 7.465 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -5.525 -11.123 8.439 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -6.056 -11.448 6.801 1.00 1.36 H new ATOM 0 HE ARG A 72 -4.216 -13.123 8.434 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -5.939 -12.594 5.386 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -5.733 -14.265 4.851 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -3.967 -15.269 7.726 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.627 -15.765 6.165 1.00 1.99 H new ATOM 1175 N LEU A 73 -1.764 -7.963 8.167 1.00 1.36 N ATOM 1176 CA LEU A 73 -0.467 -8.237 8.764 1.00 1.55 C ATOM 1177 C LEU A 73 -0.599 -9.389 9.749 1.00 1.62 C ATOM 1178 O LEU A 73 0.182 -10.341 9.726 1.00 1.83 O ATOM 1179 CB LEU A 73 0.082 -6.994 9.474 1.00 1.60 C ATOM 1180 CG LEU A 73 1.439 -7.177 10.161 1.00 1.89 C ATOM 1181 CD1 LEU A 73 2.516 -7.505 9.140 1.00 2.09 C ATOM 1182 CD2 LEU A 73 1.812 -5.929 10.953 1.00 1.97 C ATOM 0 H LEU A 73 -2.382 -7.389 8.740 1.00 1.36 H new ATOM 0 HA LEU A 73 0.233 -8.510 7.975 1.00 1.55 H new ATOM 0 HB2 LEU A 73 0.168 -6.188 8.745 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -0.644 -6.672 10.221 1.00 1.60 H new ATOM 0 HG LEU A 73 1.361 -8.013 10.856 1.00 1.89 H new ATOM 0 HD11 LEU A 73 3.472 -7.631 9.648 1.00 2.09 H new ATOM 0 HD12 LEU A 73 2.256 -8.428 8.621 1.00 2.09 H new ATOM 0 HD13 LEU A 73 2.593 -6.692 8.418 1.00 2.09 H new ATOM 0 HD21 LEU A 73 2.779 -6.079 11.434 1.00 1.97 H new ATOM 0 HD22 LEU A 73 1.870 -5.074 10.279 1.00 1.97 H new ATOM 0 HD23 LEU A 73 1.054 -5.741 11.713 1.00 1.97 H new ATOM 1194 N ARG A 74 -1.603 -9.298 10.607 1.00 1.51 N ATOM 1195 CA ARG A 74 -1.860 -10.327 11.600 1.00 1.62 C ATOM 1196 C ARG A 74 -3.197 -10.994 11.334 1.00 1.56 C ATOM 1197 O ARG A 74 -3.943 -10.579 10.448 1.00 1.63 O ATOM 1198 CB ARG A 74 -1.862 -9.731 13.011 1.00 1.72 C ATOM 1199 CG ARG A 74 -0.538 -9.118 13.421 1.00 1.87 C ATOM 1200 CD ARG A 74 0.561 -10.164 13.454 1.00 2.28 C ATOM 1201 NE ARG A 74 1.831 -9.601 13.896 1.00 2.26 N ATOM 1202 CZ ARG A 74 2.906 -10.329 14.182 1.00 2.65 C ATOM 1203 NH1 ARG A 74 2.869 -11.654 14.064 1.00 3.32 N ATOM 1204 NH2 ARG A 74 4.015 -9.732 14.595 1.00 2.70 N ATOM 0 H ARG A 74 -2.257 -8.516 10.635 1.00 1.51 H new ATOM 0 HA ARG A 74 -1.065 -11.069 11.530 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -2.638 -8.968 13.071 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -2.126 -10.512 13.724 1.00 1.72 H new ATOM 0 HG2 ARG A 74 -0.269 -8.325 12.723 1.00 1.87 H new ATOM 0 HG3 ARG A 74 -0.636 -8.657 14.404 1.00 1.87 H new ATOM 0 HD2 ARG A 74 0.271 -10.975 14.122 1.00 2.28 H new ATOM 0 HD3 ARG A 74 0.681 -10.596 12.461 1.00 2.28 H new ATOM 0 HE ARG A 74 1.899 -8.588 13.992 1.00 2.26 H new ATOM 0 HH11 ARG A 74 2.014 -12.115 13.753 1.00 3.32 H new ATOM 0 HH12 ARG A 74 3.696 -12.209 14.284 1.00 3.32 H new ATOM 0 HH21 ARG A 74 4.042 -8.717 14.693 1.00 2.70 H new ATOM 0 HH22 ARG A 74 4.842 -10.288 14.815 1.00 2.70 H new ATOM 1218 N GLY A 75 -3.493 -12.031 12.101 1.00 1.69 N ATOM 1219 CA GLY A 75 -4.747 -12.736 11.948 1.00 1.67 C ATOM 1220 C GLY A 75 -5.494 -12.825 13.257 1.00 1.77 C ATOM 1221 O GLY A 75 -6.323 -13.714 13.454 1.00 2.16 O ATOM 0 H GLY A 75 -2.883 -12.399 12.831 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -5.365 -12.226 11.209 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -4.558 -13.739 11.567 1.00 1.67 H new ATOM 1225 N GLY A 76 -5.181 -11.910 14.163 1.00 1.73 N ATOM 1226 CA GLY A 76 -5.823 -11.890 15.458 1.00 1.91 C ATOM 1227 C GLY A 76 -4.887 -12.360 16.548 1.00 2.25 C ATOM 1228 O GLY A 76 -3.657 -12.253 16.355 1.00 2.51 O ATOM 1229 OXT GLY A 76 -5.371 -12.838 17.593 1.00 2.58 O ATOM 0 H GLY A 76 -4.487 -11.176 14.021 1.00 1.73 H new ATOM 0 HA2 GLY A 76 -6.164 -10.879 15.681 1.00 1.91 H new ATOM 0 HA3 GLY A 76 -6.707 -12.527 15.437 1.00 1.91 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 31.849 -2.148 3.200 1.00 7.89 N ATOM 1235 CA ALA B 49 30.654 -2.824 2.664 1.00 7.38 C ATOM 1236 C ALA B 49 30.531 -2.582 1.166 1.00 6.19 C ATOM 1237 O ALA B 49 31.472 -2.100 0.534 1.00 6.01 O ATOM 1238 CB ALA B 49 29.405 -2.346 3.395 1.00 8.29 C ATOM 0 HA ALA B 49 30.757 -3.897 2.826 1.00 7.38 H new ATOM 0 HB1 ALA B 49 28.530 -2.853 2.989 1.00 8.29 H new ATOM 0 HB2 ALA B 49 29.496 -2.573 4.457 1.00 8.29 H new ATOM 0 HB3 ALA B 49 29.295 -1.270 3.262 1.00 8.29 H new ATOM 1246 N ASN B 50 29.378 -2.942 0.608 1.00 5.55 N ATOM 1247 CA ASN B 50 29.101 -2.770 -0.814 1.00 4.48 C ATOM 1248 C ASN B 50 30.030 -3.632 -1.654 1.00 4.51 C ATOM 1249 O ASN B 50 30.905 -3.129 -2.357 1.00 3.94 O ATOM 1250 CB ASN B 50 29.213 -1.300 -1.233 1.00 3.80 C ATOM 1251 CG ASN B 50 28.103 -0.450 -0.655 1.00 3.32 C ATOM 1252 OD1 ASN B 50 27.001 -0.936 -0.403 1.00 3.27 O ATOM 1253 ND2 ASN B 50 28.383 0.825 -0.448 1.00 3.32 N ATOM 0 H ASN B 50 28.609 -3.362 1.130 1.00 5.55 H new ATOM 0 HA ASN B 50 28.074 -3.092 -0.989 1.00 4.48 H new ATOM 0 HB2 ASN B 50 30.176 -0.905 -0.909 1.00 3.80 H new ATOM 0 HB3 ASN B 50 29.190 -1.232 -2.321 1.00 3.80 H new ATOM 0 HD21 ASN B 50 27.672 1.448 -0.065 1.00 3.32 H new ATOM 0 HD22 ASN B 50 29.310 1.186 -0.671 1.00 3.32 H new ATOM 1260 N GLN B 51 29.836 -4.938 -1.563 1.00 5.34 N ATOM 1261 CA GLN B 51 30.650 -5.883 -2.313 1.00 5.73 C ATOM 1262 C GLN B 51 30.062 -6.095 -3.702 1.00 5.61 C ATOM 1263 O GLN B 51 30.708 -6.663 -4.581 1.00 5.77 O ATOM 1264 CB GLN B 51 30.746 -7.215 -1.568 1.00 6.81 C ATOM 1265 CG GLN B 51 31.504 -7.130 -0.250 1.00 7.14 C ATOM 1266 CD GLN B 51 33.010 -7.175 -0.431 1.00 7.49 C ATOM 1267 OE1 GLN B 51 33.546 -6.713 -1.440 1.00 7.06 O ATOM 1268 NE2 GLN B 51 33.702 -7.726 0.552 1.00 8.42 N ATOM 0 H GLN B 51 29.121 -5.369 -0.977 1.00 5.34 H new ATOM 0 HA GLN B 51 31.654 -5.472 -2.416 1.00 5.73 H new ATOM 0 HB2 GLN B 51 29.739 -7.585 -1.374 1.00 6.81 H new ATOM 0 HB3 GLN B 51 31.236 -7.946 -2.211 1.00 6.81 H new ATOM 0 HG2 GLN B 51 31.232 -6.206 0.261 1.00 7.14 H new ATOM 0 HG3 GLN B 51 31.196 -7.953 0.394 1.00 7.14 H new ATOM 0 HE21 GLN B 51 33.219 -8.097 1.370 1.00 8.42 H new ATOM 0 HE22 GLN B 51 34.719 -7.780 0.492 1.00 8.42 H new ATOM 1277 N GLN B 52 28.834 -5.631 -3.890 1.00 5.47 N ATOM 1278 CA GLN B 52 28.151 -5.760 -5.166 1.00 5.44 C ATOM 1279 C GLN B 52 27.346 -4.494 -5.465 1.00 4.52 C ATOM 1280 O GLN B 52 26.155 -4.414 -5.159 1.00 4.10 O ATOM 1281 CB GLN B 52 27.228 -6.980 -5.146 1.00 6.26 C ATOM 1282 CG GLN B 52 26.736 -7.403 -6.519 1.00 6.28 C ATOM 1283 CD GLN B 52 25.580 -8.381 -6.454 1.00 6.34 C ATOM 1284 OE1 GLN B 52 24.727 -8.403 -7.334 1.00 5.83 O ATOM 1285 NE2 GLN B 52 25.543 -9.194 -5.408 1.00 7.08 N ATOM 0 H GLN B 52 28.289 -5.159 -3.168 1.00 5.47 H new ATOM 0 HA GLN B 52 28.895 -5.894 -5.951 1.00 5.44 H new ATOM 0 HB2 GLN B 52 27.757 -7.816 -4.687 1.00 6.26 H new ATOM 0 HB3 GLN B 52 26.367 -6.762 -4.514 1.00 6.26 H new ATOM 0 HG2 GLN B 52 26.427 -6.519 -7.077 1.00 6.28 H new ATOM 0 HG3 GLN B 52 27.559 -7.857 -7.071 1.00 6.28 H new ATOM 0 HE21 GLN B 52 26.273 -9.144 -4.697 1.00 7.08 H new ATOM 0 HE22 GLN B 52 24.785 -9.870 -5.314 1.00 7.08 H new ATOM 1294 N THR B 53 28.002 -3.502 -6.047 1.00 4.33 N ATOM 1295 CA THR B 53 27.352 -2.237 -6.373 1.00 3.53 C ATOM 1296 C THR B 53 26.684 -2.278 -7.751 1.00 3.27 C ATOM 1297 O THR B 53 26.992 -1.472 -8.627 1.00 3.29 O ATOM 1298 CB THR B 53 28.373 -1.083 -6.333 1.00 3.67 C ATOM 1299 OG1 THR B 53 29.475 -1.447 -5.490 1.00 4.47 O ATOM 1300 CG2 THR B 53 27.735 0.193 -5.803 1.00 3.04 C ATOM 0 H THR B 53 28.988 -3.547 -6.305 1.00 4.33 H new ATOM 0 HA THR B 53 26.578 -2.070 -5.624 1.00 3.53 H new ATOM 0 HB THR B 53 28.723 -0.900 -7.349 1.00 3.67 H new ATOM 0 HG1 THR B 53 30.125 -0.714 -5.466 1.00 4.47 H new ATOM 0 HG21 THR B 53 28.477 0.991 -5.785 1.00 3.04 H new ATOM 0 HG22 THR B 53 26.907 0.482 -6.450 1.00 3.04 H new ATOM 0 HG23 THR B 53 27.363 0.021 -4.793 1.00 3.04 H new ATOM 1308 N SER B 54 25.778 -3.227 -7.938 1.00 3.19 N ATOM 1309 CA SER B 54 25.065 -3.368 -9.198 1.00 2.94 C ATOM 1310 C SER B 54 23.632 -2.852 -9.063 1.00 1.98 C ATOM 1311 O SER B 54 23.122 -2.143 -9.936 1.00 1.51 O ATOM 1312 CB SER B 54 25.072 -4.835 -9.624 1.00 3.63 C ATOM 1313 OG SER B 54 24.840 -5.683 -8.511 1.00 4.57 O ATOM 0 H SER B 54 25.519 -3.913 -7.229 1.00 3.19 H new ATOM 0 HA SER B 54 25.565 -2.773 -9.962 1.00 2.94 H new ATOM 0 HB2 SER B 54 24.305 -5.002 -10.381 1.00 3.63 H new ATOM 0 HB3 SER B 54 26.030 -5.081 -10.081 1.00 3.63 H new ATOM 0 HG SER B 54 24.961 -6.617 -8.781 1.00 4.57 H new ATOM 1319 N GLY B 55 22.990 -3.207 -7.958 1.00 2.06 N ATOM 1320 CA GLY B 55 21.631 -2.777 -7.710 1.00 1.62 C ATOM 1321 C GLY B 55 21.560 -1.764 -6.591 1.00 1.24 C ATOM 1322 O GLY B 55 21.403 -2.126 -5.426 1.00 1.38 O ATOM 0 H GLY B 55 23.392 -3.790 -7.224 1.00 2.06 H new ATOM 0 HA2 GLY B 55 21.215 -2.344 -8.620 1.00 1.62 H new ATOM 0 HA3 GLY B 55 21.016 -3.641 -7.458 1.00 1.62 H new ATOM 1326 N LYS B 56 21.696 -0.495 -6.944 1.00 0.94 N ATOM 1327 CA LYS B 56 21.651 0.584 -5.969 1.00 0.68 C ATOM 1328 C LYS B 56 20.678 1.664 -6.423 1.00 0.61 C ATOM 1329 O LYS B 56 20.952 2.402 -7.371 1.00 0.68 O ATOM 1330 CB LYS B 56 23.047 1.186 -5.771 1.00 0.81 C ATOM 1331 CG LYS B 56 24.045 0.237 -5.123 1.00 1.31 C ATOM 1332 CD LYS B 56 23.634 -0.116 -3.704 1.00 0.93 C ATOM 1333 CE LYS B 56 24.763 -0.786 -2.944 1.00 1.34 C ATOM 1334 NZ LYS B 56 24.554 -0.709 -1.478 1.00 1.52 N ATOM 0 H LYS B 56 21.839 -0.186 -7.905 1.00 0.94 H new ATOM 0 HA LYS B 56 21.308 0.176 -5.018 1.00 0.68 H new ATOM 0 HB2 LYS B 56 23.436 1.500 -6.739 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.961 2.082 -5.156 1.00 0.81 H new ATOM 0 HG2 LYS B 56 24.123 -0.673 -5.718 1.00 1.31 H new ATOM 0 HG3 LYS B 56 25.033 0.697 -5.113 1.00 1.31 H new ATOM 0 HD2 LYS B 56 23.327 0.788 -3.178 1.00 0.93 H new ATOM 0 HD3 LYS B 56 22.769 -0.779 -3.730 1.00 0.93 H new ATOM 0 HE2 LYS B 56 24.837 -1.830 -3.247 1.00 1.34 H new ATOM 0 HE3 LYS B 56 25.709 -0.311 -3.203 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 25.476 -0.686 -0.997 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 24.022 0.155 -1.248 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 24.017 -1.541 -1.160 1.00 1.52 H new ATOM 1348 N VAL B 57 19.541 1.746 -5.749 1.00 0.56 N ATOM 1349 CA VAL B 57 18.529 2.736 -6.089 1.00 0.53 C ATOM 1350 C VAL B 57 18.820 4.056 -5.377 1.00 0.53 C ATOM 1351 O VAL B 57 19.336 4.067 -4.258 1.00 0.57 O ATOM 1352 CB VAL B 57 17.107 2.253 -5.727 1.00 0.49 C ATOM 1353 CG1 VAL B 57 16.064 2.971 -6.572 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.983 0.744 -5.900 1.00 0.54 C ATOM 0 H VAL B 57 19.296 1.141 -4.965 1.00 0.56 H new ATOM 0 HA VAL B 57 18.569 2.885 -7.168 1.00 0.53 H new ATOM 0 HB VAL B 57 16.928 2.492 -4.679 1.00 0.49 H new ATOM 0 HG11 VAL B 57 15.070 2.616 -6.301 1.00 0.57 H new ATOM 0 HG12 VAL B 57 16.127 4.044 -6.394 1.00 0.57 H new ATOM 0 HG13 VAL B 57 16.247 2.767 -7.627 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.973 0.430 -5.639 1.00 0.54 H new ATOM 0 HG22 VAL B 57 17.189 0.479 -6.937 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.699 0.243 -5.248 1.00 0.54 H new ATOM 1364 N LEU B 58 18.487 5.163 -6.026 1.00 0.64 N ATOM 1365 CA LEU B 58 18.736 6.482 -5.464 1.00 0.67 C ATOM 1366 C LEU B 58 17.458 7.107 -4.910 1.00 0.67 C ATOM 1367 O LEU B 58 16.371 6.925 -5.462 1.00 0.97 O ATOM 1368 CB LEU B 58 19.349 7.397 -6.532 1.00 0.85 C ATOM 1369 CG LEU B 58 19.678 8.822 -6.073 1.00 0.87 C ATOM 1370 CD1 LEU B 58 21.091 9.202 -6.484 1.00 1.04 C ATOM 1371 CD2 LEU B 58 18.676 9.815 -6.646 1.00 1.26 C ATOM 0 H LEU B 58 18.043 5.173 -6.944 1.00 0.64 H new ATOM 0 HA LEU B 58 19.436 6.368 -4.636 1.00 0.67 H new ATOM 0 HB2 LEU B 58 20.264 6.933 -6.901 1.00 0.85 H new ATOM 0 HB3 LEU B 58 18.659 7.456 -7.374 1.00 0.85 H new ATOM 0 HG LEU B 58 19.612 8.854 -4.985 1.00 0.87 H new ATOM 0 HD11 LEU B 58 21.307 10.217 -6.150 1.00 1.04 H new ATOM 0 HD12 LEU B 58 21.801 8.511 -6.028 1.00 1.04 H new ATOM 0 HD13 LEU B 58 21.180 9.151 -7.569 1.00 1.04 H new ATOM 0 HD21 LEU B 58 18.927 10.821 -6.309 1.00 1.26 H new ATOM 0 HD22 LEU B 58 18.710 9.779 -7.735 1.00 1.26 H new ATOM 0 HD23 LEU B 58 17.673 9.558 -6.305 1.00 1.26 H new ATOM 1383 N TYR B 59 17.607 7.839 -3.814 1.00 0.54 N ATOM 1384 CA TYR B 59 16.494 8.517 -3.165 1.00 0.57 C ATOM 1385 C TYR B 59 17.022 9.727 -2.391 1.00 0.58 C ATOM 1386 O TYR B 59 18.037 9.630 -1.701 1.00 0.62 O ATOM 1387 CB TYR B 59 15.742 7.561 -2.227 1.00 0.63 C ATOM 1388 CG TYR B 59 16.423 7.336 -0.889 1.00 0.72 C ATOM 1389 CD1 TYR B 59 17.598 6.599 -0.800 1.00 0.75 C ATOM 1390 CD2 TYR B 59 15.900 7.879 0.279 1.00 0.88 C ATOM 1391 CE1 TYR B 59 18.225 6.401 0.414 1.00 0.97 C ATOM 1392 CE2 TYR B 59 16.520 7.684 1.498 1.00 1.05 C ATOM 1393 CZ TYR B 59 17.684 6.948 1.560 1.00 1.10 C ATOM 1394 OH TYR B 59 18.307 6.750 2.774 1.00 1.35 O ATOM 0 H TYR B 59 18.504 7.979 -3.350 1.00 0.54 H new ATOM 0 HA TYR B 59 15.791 8.855 -3.926 1.00 0.57 H new ATOM 0 HB2 TYR B 59 14.741 7.956 -2.051 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.622 6.600 -2.727 1.00 0.63 H new ATOM 0 HD1 TYR B 59 18.028 6.174 -1.695 1.00 0.75 H new ATOM 0 HD2 TYR B 59 14.993 8.464 0.233 1.00 0.88 H new ATOM 0 HE1 TYR B 59 19.134 5.821 0.467 1.00 0.97 H new ATOM 0 HE2 TYR B 59 16.095 8.106 2.397 1.00 1.05 H new ATOM 0 HH TYR B 59 18.936 6.002 2.701 1.00 1.35 H new ATOM 1404 N GLU B 60 16.361 10.871 -2.549 1.00 0.64 N ATOM 1405 CA GLU B 60 16.754 12.113 -1.865 1.00 0.68 C ATOM 1406 C GLU B 60 18.165 12.557 -2.260 1.00 0.74 C ATOM 1407 O GLU B 60 18.759 13.415 -1.606 1.00 0.82 O ATOM 1408 CB GLU B 60 16.682 11.949 -0.339 1.00 0.75 C ATOM 1409 CG GLU B 60 15.276 11.751 0.200 1.00 0.88 C ATOM 1410 CD GLU B 60 15.181 12.036 1.685 1.00 1.88 C ATOM 1411 OE1 GLU B 60 14.993 13.213 2.056 1.00 2.51 O ATOM 1412 OE2 GLU B 60 15.289 11.092 2.496 1.00 2.64 O ATOM 0 H GLU B 60 15.542 10.970 -3.149 1.00 0.64 H new ATOM 0 HA GLU B 60 16.048 12.881 -2.179 1.00 0.68 H new ATOM 0 HB2 GLU B 60 17.294 11.096 -0.047 1.00 0.75 H new ATOM 0 HB3 GLU B 60 17.118 12.830 0.131 1.00 0.75 H new ATOM 0 HG2 GLU B 60 14.589 12.404 -0.337 1.00 0.88 H new ATOM 0 HG3 GLU B 60 14.957 10.726 0.008 1.00 0.88 H new ATOM 1419 N GLY B 61 18.689 11.993 -3.341 1.00 0.81 N ATOM 1420 CA GLY B 61 20.031 12.331 -3.780 1.00 0.99 C ATOM 1421 C GLY B 61 21.063 11.376 -3.212 1.00 1.03 C ATOM 1422 O GLY B 61 22.252 11.469 -3.521 1.00 1.27 O ATOM 0 H GLY B 61 18.209 11.307 -3.923 1.00 0.81 H new ATOM 0 HA2 GLY B 61 20.074 12.308 -4.869 1.00 0.99 H new ATOM 0 HA3 GLY B 61 20.269 13.349 -3.473 1.00 0.99 H new ATOM 1426 N LYS B 62 20.594 10.461 -2.376 1.00 0.90 N ATOM 1427 CA LYS B 62 21.447 9.463 -1.746 1.00 1.00 C ATOM 1428 C LYS B 62 21.176 8.103 -2.376 1.00 0.88 C ATOM 1429 O LYS B 62 20.121 7.901 -2.972 1.00 0.78 O ATOM 1430 CB LYS B 62 21.157 9.418 -0.241 1.00 1.08 C ATOM 1431 CG LYS B 62 22.130 8.571 0.563 1.00 1.44 C ATOM 1432 CD LYS B 62 21.462 7.995 1.804 1.00 1.44 C ATOM 1433 CE LYS B 62 20.840 9.085 2.664 1.00 1.32 C ATOM 1434 NZ LYS B 62 20.101 8.518 3.821 1.00 1.45 N ATOM 0 H LYS B 62 19.611 10.389 -2.115 1.00 0.90 H new ATOM 0 HA LYS B 62 22.495 9.724 -1.895 1.00 1.00 H new ATOM 0 HB2 LYS B 62 21.172 10.435 0.150 1.00 1.08 H new ATOM 0 HB3 LYS B 62 20.149 9.033 -0.089 1.00 1.08 H new ATOM 0 HG2 LYS B 62 22.510 7.760 -0.058 1.00 1.44 H new ATOM 0 HG3 LYS B 62 22.988 9.177 0.856 1.00 1.44 H new ATOM 0 HD2 LYS B 62 20.693 7.283 1.506 1.00 1.44 H new ATOM 0 HD3 LYS B 62 22.197 7.443 2.390 1.00 1.44 H new ATOM 0 HE2 LYS B 62 21.621 9.754 3.024 1.00 1.32 H new ATOM 0 HE3 LYS B 62 20.161 9.684 2.057 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 19.926 9.267 4.521 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 19.193 8.128 3.496 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 20.666 7.762 4.257 1.00 1.45 H new ATOM 1448 N GLU B 63 22.110 7.177 -2.253 1.00 0.95 N ATOM 1449 CA GLU B 63 21.936 5.853 -2.824 1.00 0.88 C ATOM 1450 C GLU B 63 21.870 4.797 -1.737 1.00 0.89 C ATOM 1451 O GLU B 63 22.619 4.841 -0.761 1.00 1.05 O ATOM 1452 CB GLU B 63 23.073 5.527 -3.786 1.00 1.03 C ATOM 1453 CG GLU B 63 23.225 6.539 -4.903 1.00 1.17 C ATOM 1454 CD GLU B 63 24.360 6.192 -5.833 1.00 1.35 C ATOM 1455 OE1 GLU B 63 25.500 6.022 -5.347 1.00 1.35 O ATOM 1456 OE2 GLU B 63 24.118 6.080 -7.049 1.00 1.91 O ATOM 0 H GLU B 63 22.994 7.316 -1.764 1.00 0.95 H new ATOM 0 HA GLU B 63 20.994 5.851 -3.373 1.00 0.88 H new ATOM 0 HB2 GLU B 63 24.007 5.471 -3.227 1.00 1.03 H new ATOM 0 HB3 GLU B 63 22.901 4.542 -4.219 1.00 1.03 H new ATOM 0 HG2 GLU B 63 22.296 6.594 -5.470 1.00 1.17 H new ATOM 0 HG3 GLU B 63 23.396 7.527 -4.476 1.00 1.17 H new ATOM 1463 N PHE B 64 20.971 3.847 -1.921 1.00 0.78 N ATOM 1464 CA PHE B 64 20.787 2.762 -0.973 1.00 0.84 C ATOM 1465 C PHE B 64 20.712 1.444 -1.725 1.00 0.86 C ATOM 1466 O PHE B 64 20.892 1.413 -2.942 1.00 0.97 O ATOM 1467 CB PHE B 64 19.506 2.976 -0.167 1.00 0.78 C ATOM 1468 CG PHE B 64 19.712 2.980 1.319 1.00 0.85 C ATOM 1469 CD1 PHE B 64 20.490 3.953 1.924 1.00 0.98 C ATOM 1470 CD2 PHE B 64 19.122 2.011 2.115 1.00 0.89 C ATOM 1471 CE1 PHE B 64 20.676 3.962 3.292 1.00 1.07 C ATOM 1472 CE2 PHE B 64 19.302 2.015 3.484 1.00 1.01 C ATOM 1473 CZ PHE B 64 20.082 2.990 4.075 1.00 1.06 C ATOM 0 H PHE B 64 20.350 3.805 -2.729 1.00 0.78 H new ATOM 0 HA PHE B 64 21.632 2.740 -0.284 1.00 0.84 H new ATOM 0 HB2 PHE B 64 19.057 3.924 -0.463 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.793 2.192 -0.422 1.00 0.78 H new ATOM 0 HD1 PHE B 64 20.957 4.715 1.318 1.00 0.98 H new ATOM 0 HD2 PHE B 64 18.514 1.244 1.659 1.00 0.89 H new ATOM 0 HE1 PHE B 64 21.285 4.728 3.750 1.00 1.07 H new ATOM 0 HE2 PHE B 64 18.833 1.256 4.093 1.00 1.01 H new ATOM 0 HZ PHE B 64 20.227 2.993 5.145 1.00 1.06 H new ATOM 1483 N ASP B 65 20.447 0.358 -1.007 1.00 0.82 N ATOM 1484 CA ASP B 65 20.333 -0.956 -1.632 1.00 0.85 C ATOM 1485 C ASP B 65 19.065 -1.009 -2.472 1.00 0.82 C ATOM 1486 O ASP B 65 19.098 -0.841 -3.691 1.00 0.92 O ATOM 1487 CB ASP B 65 20.296 -2.071 -0.576 1.00 0.87 C ATOM 1488 CG ASP B 65 21.633 -2.306 0.096 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.671 -2.235 -0.590 1.00 1.57 O ATOM 1490 OD2 ASP B 65 21.646 -2.571 1.317 1.00 1.81 O ATOM 0 H ASP B 65 20.308 0.360 0.003 1.00 0.82 H new ATOM 0 HA ASP B 65 21.207 -1.113 -2.264 1.00 0.85 H new ATOM 0 HB2 ASP B 65 19.555 -1.818 0.183 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.967 -2.997 -1.047 1.00 0.87 H new ATOM 1495 N TYR B 66 17.942 -1.204 -1.802 1.00 0.72 N ATOM 1496 CA TYR B 66 16.653 -1.270 -2.469 1.00 0.72 C ATOM 1497 C TYR B 66 15.675 -0.315 -1.804 1.00 0.59 C ATOM 1498 O TYR B 66 15.480 -0.364 -0.590 1.00 0.54 O ATOM 1499 CB TYR B 66 16.090 -2.696 -2.426 1.00 0.83 C ATOM 1500 CG TYR B 66 16.880 -3.702 -3.233 1.00 1.06 C ATOM 1501 CD1 TYR B 66 16.709 -3.809 -4.607 1.00 1.21 C ATOM 1502 CD2 TYR B 66 17.788 -4.558 -2.616 1.00 1.26 C ATOM 1503 CE1 TYR B 66 17.418 -4.738 -5.346 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.502 -5.487 -3.350 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.313 -5.573 -4.713 1.00 1.62 C ATOM 1506 OH TYR B 66 19.019 -6.502 -5.444 1.00 1.92 O ATOM 0 H TYR B 66 17.897 -1.320 -0.790 1.00 0.72 H new ATOM 0 HA TYR B 66 16.792 -0.981 -3.511 1.00 0.72 H new ATOM 0 HB2 TYR B 66 16.053 -3.028 -1.389 1.00 0.83 H new ATOM 0 HB3 TYR B 66 15.063 -2.680 -2.792 1.00 0.83 H new ATOM 0 HD1 TYR B 66 16.010 -3.155 -5.107 1.00 1.21 H new ATOM 0 HD2 TYR B 66 17.937 -4.495 -1.548 1.00 1.26 H new ATOM 0 HE1 TYR B 66 17.271 -4.809 -6.414 1.00 1.48 H new ATOM 0 HE2 TYR B 66 19.205 -6.143 -2.858 1.00 1.52 H new ATOM 0 HH TYR B 66 19.607 -7.010 -4.847 1.00 1.92 H new ATOM 1516 N VAL B 67 15.089 0.576 -2.587 1.00 0.71 N ATOM 1517 CA VAL B 67 14.118 1.513 -2.054 1.00 0.61 C ATOM 1518 C VAL B 67 12.760 1.259 -2.698 1.00 0.64 C ATOM 1519 O VAL B 67 12.675 0.931 -3.885 1.00 0.73 O ATOM 1520 CB VAL B 67 14.540 2.997 -2.241 1.00 0.65 C ATOM 1521 CG1 VAL B 67 16.009 3.194 -1.893 1.00 0.70 C ATOM 1522 CG2 VAL B 67 14.263 3.488 -3.654 1.00 0.73 C ATOM 0 H VAL B 67 15.268 0.669 -3.587 1.00 0.71 H new ATOM 0 HA VAL B 67 14.059 1.345 -0.979 1.00 0.61 H new ATOM 0 HB VAL B 67 13.936 3.591 -1.556 1.00 0.65 H new ATOM 0 HG11 VAL B 67 16.279 4.241 -2.032 1.00 0.70 H new ATOM 0 HG12 VAL B 67 16.178 2.911 -0.854 1.00 0.70 H new ATOM 0 HG13 VAL B 67 16.624 2.571 -2.543 1.00 0.70 H new ATOM 0 HG21 VAL B 67 14.572 4.529 -3.744 1.00 0.73 H new ATOM 0 HG22 VAL B 67 14.822 2.881 -4.366 1.00 0.73 H new ATOM 0 HG23 VAL B 67 13.197 3.406 -3.865 1.00 0.73 H new ATOM 1532 N PHE B 68 11.707 1.380 -1.911 1.00 0.64 N ATOM 1533 CA PHE B 68 10.361 1.144 -2.399 1.00 0.73 C ATOM 1534 C PHE B 68 9.625 2.455 -2.633 1.00 0.72 C ATOM 1535 O PHE B 68 9.583 3.323 -1.759 1.00 0.65 O ATOM 1536 CB PHE B 68 9.593 0.270 -1.403 1.00 0.81 C ATOM 1537 CG PHE B 68 8.122 0.138 -1.703 1.00 0.96 C ATOM 1538 CD1 PHE B 68 7.685 -0.329 -2.934 1.00 0.98 C ATOM 1539 CD2 PHE B 68 7.177 0.484 -0.753 1.00 1.19 C ATOM 1540 CE1 PHE B 68 6.334 -0.448 -3.206 1.00 1.18 C ATOM 1541 CE2 PHE B 68 5.827 0.366 -1.019 1.00 1.37 C ATOM 1542 CZ PHE B 68 5.404 -0.100 -2.247 1.00 1.36 C ATOM 0 H PHE B 68 11.759 1.642 -0.926 1.00 0.64 H new ATOM 0 HA PHE B 68 10.427 0.624 -3.354 1.00 0.73 H new ATOM 0 HB2 PHE B 68 10.040 -0.724 -1.389 1.00 0.81 H new ATOM 0 HB3 PHE B 68 9.712 0.687 -0.403 1.00 0.81 H new ATOM 0 HD1 PHE B 68 8.408 -0.603 -3.688 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.500 0.851 0.210 1.00 1.19 H new ATOM 0 HE1 PHE B 68 6.007 -0.813 -4.168 1.00 1.18 H new ATOM 0 HE2 PHE B 68 5.102 0.638 -0.266 1.00 1.37 H new ATOM 0 HZ PHE B 68 4.349 -0.192 -2.457 1.00 1.36 H new ATOM 1552 N SER B 69 9.052 2.591 -3.821 1.00 0.84 N ATOM 1553 CA SER B 69 8.297 3.779 -4.175 1.00 0.90 C ATOM 1554 C SER B 69 6.844 3.608 -3.746 1.00 0.94 C ATOM 1555 O SER B 69 6.080 2.879 -4.379 1.00 1.09 O ATOM 1556 CB SER B 69 8.387 4.036 -5.684 1.00 1.10 C ATOM 1557 OG SER B 69 9.740 4.076 -6.115 1.00 1.04 O ATOM 0 H SER B 69 9.098 1.887 -4.558 1.00 0.84 H new ATOM 0 HA SER B 69 8.719 4.640 -3.657 1.00 0.90 H new ATOM 0 HB2 SER B 69 7.853 3.253 -6.222 1.00 1.10 H new ATOM 0 HB3 SER B 69 7.897 4.979 -5.926 1.00 1.10 H new ATOM 0 HG SER B 69 9.771 4.239 -7.081 1.00 1.04 H new ATOM 1563 N ILE B 70 6.474 4.262 -2.657 1.00 0.84 N ATOM 1564 CA ILE B 70 5.119 4.164 -2.133 1.00 0.91 C ATOM 1565 C ILE B 70 4.169 5.088 -2.885 1.00 1.06 C ATOM 1566 O ILE B 70 4.359 6.305 -2.907 1.00 1.32 O ATOM 1567 CB ILE B 70 5.061 4.508 -0.630 1.00 0.88 C ATOM 1568 CG1 ILE B 70 6.258 3.899 0.106 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.755 4.009 -0.026 1.00 1.05 C ATOM 1570 CD1 ILE B 70 6.334 4.282 1.570 1.00 1.25 C ATOM 0 H ILE B 70 7.093 4.867 -2.117 1.00 0.84 H new ATOM 0 HA ILE B 70 4.808 3.129 -2.272 1.00 0.91 H new ATOM 0 HB ILE B 70 5.105 5.591 -0.519 1.00 0.88 H new ATOM 0 HG12 ILE B 70 6.208 2.813 0.026 1.00 0.74 H new ATOM 0 HG13 ILE B 70 7.176 4.213 -0.390 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.726 4.258 1.035 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.915 4.484 -0.533 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.688 2.928 -0.147 1.00 1.05 H new ATOM 0 HD11 ILE B 70 7.207 3.813 2.024 1.00 1.25 H new ATOM 0 HD12 ILE B 70 6.416 5.365 1.659 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.433 3.944 2.082 1.00 1.25 H new ATOM 1582 N ASP B 71 3.154 4.499 -3.503 1.00 0.97 N ATOM 1583 CA ASP B 71 2.158 5.255 -4.250 1.00 1.14 C ATOM 1584 C ASP B 71 0.859 5.327 -3.456 1.00 1.17 C ATOM 1585 O ASP B 71 0.415 4.328 -2.882 1.00 1.23 O ATOM 1586 CB ASP B 71 1.900 4.608 -5.615 1.00 1.26 C ATOM 1587 CG ASP B 71 1.178 3.278 -5.499 1.00 1.04 C ATOM 1588 OD1 ASP B 71 1.795 2.301 -5.027 1.00 1.52 O ATOM 1589 OD2 ASP B 71 -0.016 3.201 -5.870 1.00 1.48 O ATOM 0 H ASP B 71 2.998 3.491 -3.501 1.00 0.97 H new ATOM 0 HA ASP B 71 2.538 6.264 -4.411 1.00 1.14 H new ATOM 0 HB2 ASP B 71 1.309 5.287 -6.230 1.00 1.26 H new ATOM 0 HB3 ASP B 71 2.850 4.459 -6.128 1.00 1.26 H new ATOM 1594 N VAL B 72 0.261 6.512 -3.414 1.00 1.48 N ATOM 1595 CA VAL B 72 -0.987 6.719 -2.691 1.00 1.59 C ATOM 1596 C VAL B 72 -1.413 8.186 -2.748 1.00 1.63 C ATOM 1597 O VAL B 72 -2.603 8.501 -2.744 1.00 1.86 O ATOM 1598 CB VAL B 72 -0.874 6.264 -1.209 1.00 1.61 C ATOM 1599 CG1 VAL B 72 0.075 7.160 -0.420 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -2.245 6.213 -0.548 1.00 1.87 C ATOM 0 H VAL B 72 0.623 7.347 -3.875 1.00 1.48 H new ATOM 0 HA VAL B 72 -1.745 6.107 -3.180 1.00 1.59 H new ATOM 0 HB VAL B 72 -0.457 5.257 -1.207 1.00 1.61 H new ATOM 0 HG11 VAL B 72 0.130 6.813 0.612 1.00 1.82 H new ATOM 0 HG12 VAL B 72 1.068 7.123 -0.869 1.00 1.82 H new ATOM 0 HG13 VAL B 72 -0.293 8.186 -0.438 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -2.138 5.892 0.488 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -2.699 7.203 -0.576 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -2.881 5.507 -1.083 1.00 1.87 H new ATOM 1610 N ASN B 73 -0.437 9.078 -2.823 1.00 1.47 N ATOM 1611 CA ASN B 73 -0.713 10.504 -2.869 1.00 1.57 C ATOM 1612 C ASN B 73 -0.586 11.044 -4.290 1.00 1.59 C ATOM 1613 O ASN B 73 0.501 11.075 -4.867 1.00 1.71 O ATOM 1614 CB ASN B 73 0.217 11.271 -1.915 1.00 1.67 C ATOM 1615 CG ASN B 73 1.700 11.000 -2.145 1.00 1.70 C ATOM 1616 OD1 ASN B 73 2.098 9.911 -2.563 1.00 1.96 O ATOM 1617 ND2 ASN B 73 2.530 11.985 -1.845 1.00 1.91 N ATOM 0 H ASN B 73 0.554 8.838 -2.853 1.00 1.47 H new ATOM 0 HA ASN B 73 -1.742 10.654 -2.542 1.00 1.57 H new ATOM 0 HB2 ASN B 73 0.032 12.340 -2.024 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -0.035 11.007 -0.888 1.00 1.67 H new ATOM 0 HD21 ASN B 73 3.536 11.857 -1.957 1.00 1.91 H new ATOM 0 HD22 ASN B 73 2.164 12.873 -1.501 1.00 1.91 H new ATOM 1624 N GLU B 74 -1.711 11.452 -4.856 1.00 1.59 N ATOM 1625 CA GLU B 74 -1.734 11.999 -6.201 1.00 1.64 C ATOM 1626 C GLU B 74 -1.426 13.490 -6.157 1.00 1.66 C ATOM 1627 O GLU B 74 -2.103 14.254 -5.465 1.00 1.76 O ATOM 1628 CB GLU B 74 -3.093 11.753 -6.856 1.00 1.78 C ATOM 1629 CG GLU B 74 -3.145 12.152 -8.319 1.00 2.27 C ATOM 1630 CD GLU B 74 -2.066 11.481 -9.141 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -2.263 10.319 -9.553 1.00 2.14 O ATOM 1632 OE2 GLU B 74 -1.017 12.114 -9.380 1.00 2.62 O ATOM 0 H GLU B 74 -2.623 11.414 -4.401 1.00 1.59 H new ATOM 0 HA GLU B 74 -0.972 11.498 -6.799 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -3.343 10.696 -6.768 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -3.856 12.308 -6.310 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -4.122 11.894 -8.728 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -3.040 13.234 -8.401 1.00 2.27 H new ATOM 1639 N GLY B 75 -0.398 13.892 -6.890 1.00 1.63 N ATOM 1640 CA GLY B 75 -0.006 15.284 -6.915 1.00 1.68 C ATOM 1641 C GLY B 75 0.782 15.665 -5.683 1.00 1.56 C ATOM 1642 O GLY B 75 0.626 16.760 -5.146 1.00 1.71 O ATOM 0 H GLY B 75 0.173 13.276 -7.469 1.00 1.63 H new ATOM 0 HA2 GLY B 75 0.593 15.477 -7.805 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -0.895 15.911 -6.987 1.00 1.68 H new ATOM 1646 N GLY B 76 1.625 14.752 -5.230 1.00 1.59 N ATOM 1647 CA GLY B 76 2.437 15.001 -4.059 1.00 1.48 C ATOM 1648 C GLY B 76 3.786 14.321 -4.159 1.00 1.42 C ATOM 1649 O GLY B 76 4.053 13.619 -5.138 1.00 1.49 O ATOM 0 H GLY B 76 1.762 13.836 -5.656 1.00 1.59 H new ATOM 0 HA2 GLY B 76 2.579 16.075 -3.936 1.00 1.48 H new ATOM 0 HA3 GLY B 76 1.915 14.645 -3.171 1.00 1.48 H new ATOM 1653 N PRO B 77 4.658 14.513 -3.157 1.00 1.37 N ATOM 1654 CA PRO B 77 5.993 13.909 -3.135 1.00 1.36 C ATOM 1655 C PRO B 77 5.934 12.397 -2.942 1.00 1.22 C ATOM 1656 O PRO B 77 5.332 11.906 -1.984 1.00 1.17 O ATOM 1657 CB PRO B 77 6.680 14.569 -1.926 1.00 1.41 C ATOM 1658 CG PRO B 77 5.800 15.712 -1.540 1.00 1.47 C ATOM 1659 CD PRO B 77 4.414 15.330 -1.962 1.00 1.43 C ATOM 0 HA PRO B 77 6.521 14.067 -4.076 1.00 1.36 H new ATOM 0 HB2 PRO B 77 6.789 13.863 -1.103 1.00 1.41 H new ATOM 0 HB3 PRO B 77 7.681 14.915 -2.184 1.00 1.41 H new ATOM 0 HG2 PRO B 77 5.845 15.893 -0.466 1.00 1.47 H new ATOM 0 HG3 PRO B 77 6.118 16.632 -2.031 1.00 1.47 H new ATOM 0 HD2 PRO B 77 3.894 14.768 -1.186 1.00 1.43 H new ATOM 0 HD3 PRO B 77 3.803 16.204 -2.186 1.00 1.43 H new ATOM 1667 N SER B 78 6.547 11.663 -3.860 1.00 1.24 N ATOM 1668 CA SER B 78 6.572 10.212 -3.780 1.00 1.16 C ATOM 1669 C SER B 78 7.476 9.757 -2.638 1.00 0.96 C ATOM 1670 O SER B 78 8.617 10.210 -2.518 1.00 0.91 O ATOM 1671 CB SER B 78 7.047 9.623 -5.108 1.00 1.33 C ATOM 1672 OG SER B 78 7.998 10.471 -5.733 1.00 1.66 O ATOM 0 H SER B 78 7.033 12.050 -4.669 1.00 1.24 H new ATOM 0 HA SER B 78 5.562 9.853 -3.580 1.00 1.16 H new ATOM 0 HB2 SER B 78 7.488 8.641 -4.937 1.00 1.33 H new ATOM 0 HB3 SER B 78 6.194 9.478 -5.771 1.00 1.33 H new ATOM 0 HG SER B 78 8.287 10.071 -6.579 1.00 1.66 H new ATOM 1678 N TYR B 79 6.958 8.873 -1.800 1.00 0.93 N ATOM 1679 CA TYR B 79 7.711 8.372 -0.658 1.00 0.77 C ATOM 1680 C TYR B 79 8.616 7.218 -1.071 1.00 0.70 C ATOM 1681 O TYR B 79 8.146 6.188 -1.551 1.00 0.70 O ATOM 1682 CB TYR B 79 6.757 7.916 0.449 1.00 0.82 C ATOM 1683 CG TYR B 79 5.704 8.939 0.815 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.058 10.171 1.350 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.353 8.669 0.626 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.097 11.105 1.687 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.387 9.597 0.961 1.00 1.40 C ATOM 1688 CZ TYR B 79 3.763 10.812 1.490 1.00 1.40 C ATOM 1689 OH TYR B 79 2.801 11.740 1.830 1.00 1.64 O ATOM 0 H TYR B 79 6.018 8.486 -1.888 1.00 0.93 H new ATOM 0 HA TYR B 79 8.333 9.183 -0.280 1.00 0.77 H new ATOM 0 HB2 TYR B 79 6.262 6.998 0.132 1.00 0.82 H new ATOM 0 HB3 TYR B 79 7.339 7.674 1.339 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.101 10.403 1.505 1.00 1.03 H new ATOM 0 HD2 TYR B 79 4.054 7.718 0.210 1.00 1.22 H new ATOM 0 HE1 TYR B 79 5.388 12.059 2.102 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.342 9.371 0.809 1.00 1.40 H new ATOM 0 HH TYR B 79 1.913 11.379 1.628 1.00 1.64 H new ATOM 1699 N LYS B 80 9.915 7.402 -0.889 1.00 0.71 N ATOM 1700 CA LYS B 80 10.885 6.375 -1.230 1.00 0.68 C ATOM 1701 C LYS B 80 11.451 5.760 0.043 1.00 0.61 C ATOM 1702 O LYS B 80 12.300 6.356 0.704 1.00 0.62 O ATOM 1703 CB LYS B 80 12.016 6.966 -2.079 1.00 0.72 C ATOM 1704 CG LYS B 80 11.538 7.631 -3.367 1.00 0.93 C ATOM 1705 CD LYS B 80 11.034 6.611 -4.381 1.00 1.14 C ATOM 1706 CE LYS B 80 12.172 6.010 -5.191 1.00 1.42 C ATOM 1707 NZ LYS B 80 12.358 6.704 -6.492 1.00 2.09 N ATOM 0 H LYS B 80 10.321 8.256 -0.506 1.00 0.71 H new ATOM 0 HA LYS B 80 10.387 5.600 -1.812 1.00 0.68 H new ATOM 0 HB2 LYS B 80 12.560 7.699 -1.483 1.00 0.72 H new ATOM 0 HB3 LYS B 80 12.721 6.174 -2.330 1.00 0.72 H new ATOM 0 HG2 LYS B 80 10.741 8.338 -3.136 1.00 0.93 H new ATOM 0 HG3 LYS B 80 12.355 8.204 -3.804 1.00 0.93 H new ATOM 0 HD2 LYS B 80 10.498 5.816 -3.862 1.00 1.14 H new ATOM 0 HD3 LYS B 80 10.322 7.089 -5.054 1.00 1.14 H new ATOM 0 HE2 LYS B 80 13.096 6.066 -4.615 1.00 1.42 H new ATOM 0 HE3 LYS B 80 11.971 4.954 -5.369 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 13.143 6.263 -7.012 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 11.486 6.629 -7.053 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 12.575 7.707 -6.323 1.00 2.09 H new ATOM 1721 N LEU B 81 10.958 4.581 0.396 1.00 0.59 N ATOM 1722 CA LEU B 81 11.405 3.893 1.600 1.00 0.58 C ATOM 1723 C LEU B 81 12.670 3.088 1.314 1.00 0.52 C ATOM 1724 O LEU B 81 12.640 2.128 0.548 1.00 0.50 O ATOM 1725 CB LEU B 81 10.294 2.979 2.124 1.00 0.65 C ATOM 1726 CG LEU B 81 10.458 2.514 3.572 1.00 0.73 C ATOM 1727 CD1 LEU B 81 9.103 2.432 4.257 1.00 0.81 C ATOM 1728 CD2 LEU B 81 11.159 1.166 3.625 1.00 0.96 C ATOM 0 H LEU B 81 10.246 4.080 -0.136 1.00 0.59 H new ATOM 0 HA LEU B 81 11.637 4.635 2.364 1.00 0.58 H new ATOM 0 HB2 LEU B 81 9.342 3.503 2.034 1.00 0.65 H new ATOM 0 HB3 LEU B 81 10.236 2.100 1.482 1.00 0.65 H new ATOM 0 HG LEU B 81 11.073 3.243 4.100 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.235 2.100 5.287 1.00 0.81 H new ATOM 0 HD12 LEU B 81 8.632 3.415 4.251 1.00 0.81 H new ATOM 0 HD13 LEU B 81 8.469 1.722 3.725 1.00 0.81 H new ATOM 0 HD21 LEU B 81 11.266 0.852 4.663 1.00 0.96 H new ATOM 0 HD22 LEU B 81 10.569 0.428 3.082 1.00 0.96 H new ATOM 0 HD23 LEU B 81 12.145 1.250 3.168 1.00 0.96 H new ATOM 1740 N PRO B 82 13.795 3.476 1.928 1.00 0.57 N ATOM 1741 CA PRO B 82 15.075 2.797 1.741 1.00 0.58 C ATOM 1742 C PRO B 82 15.258 1.594 2.664 1.00 0.59 C ATOM 1743 O PRO B 82 14.964 1.658 3.859 1.00 0.67 O ATOM 1744 CB PRO B 82 16.076 3.892 2.088 1.00 0.67 C ATOM 1745 CG PRO B 82 15.393 4.704 3.138 1.00 0.72 C ATOM 1746 CD PRO B 82 13.914 4.622 2.850 1.00 0.67 C ATOM 0 HA PRO B 82 15.179 2.383 0.738 1.00 0.58 H new ATOM 0 HB2 PRO B 82 17.012 3.472 2.457 1.00 0.67 H new ATOM 0 HB3 PRO B 82 16.321 4.497 1.215 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.616 4.318 4.133 1.00 0.72 H new ATOM 0 HG3 PRO B 82 15.736 5.738 3.113 1.00 0.72 H new ATOM 0 HD2 PRO B 82 13.338 4.463 3.761 1.00 0.67 H new ATOM 0 HD3 PRO B 82 13.544 5.541 2.395 1.00 0.67 H new ATOM 1754 N TYR B 83 15.745 0.499 2.103 1.00 0.60 N ATOM 1755 CA TYR B 83 15.981 -0.715 2.866 1.00 0.63 C ATOM 1756 C TYR B 83 17.403 -1.226 2.643 1.00 0.67 C ATOM 1757 O TYR B 83 17.877 -1.298 1.504 1.00 0.66 O ATOM 1758 CB TYR B 83 14.963 -1.792 2.468 1.00 0.63 C ATOM 1759 CG TYR B 83 15.268 -3.167 3.028 1.00 0.69 C ATOM 1760 CD1 TYR B 83 15.207 -3.415 4.394 1.00 0.72 C ATOM 1761 CD2 TYR B 83 15.620 -4.216 2.187 1.00 0.73 C ATOM 1762 CE1 TYR B 83 15.490 -4.668 4.906 1.00 0.79 C ATOM 1763 CE2 TYR B 83 15.903 -5.473 2.691 1.00 0.80 C ATOM 1764 CZ TYR B 83 15.837 -5.693 4.051 1.00 0.83 C ATOM 1765 OH TYR B 83 16.118 -6.940 4.559 1.00 0.91 O ATOM 0 H TYR B 83 15.986 0.427 1.115 1.00 0.60 H new ATOM 0 HA TYR B 83 15.861 -0.486 3.925 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.974 -1.485 2.806 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.923 -1.855 1.381 1.00 0.63 H new ATOM 0 HD1 TYR B 83 14.934 -2.616 5.067 1.00 0.72 H new ATOM 0 HD2 TYR B 83 15.674 -4.047 1.122 1.00 0.73 H new ATOM 0 HE1 TYR B 83 15.440 -4.843 5.971 1.00 0.79 H new ATOM 0 HE2 TYR B 83 16.174 -6.277 2.023 1.00 0.80 H new ATOM 0 HH TYR B 83 16.377 -6.859 5.501 1.00 0.91 H new ATOM 1775 N ASN B 84 18.086 -1.555 3.731 1.00 0.77 N ATOM 1776 CA ASN B 84 19.446 -2.081 3.655 1.00 0.84 C ATOM 1777 C ASN B 84 19.388 -3.601 3.612 1.00 0.81 C ATOM 1778 O ASN B 84 18.564 -4.210 4.291 1.00 0.80 O ATOM 1779 CB ASN B 84 20.284 -1.622 4.855 1.00 0.93 C ATOM 1780 CG ASN B 84 21.379 -0.628 4.488 1.00 1.33 C ATOM 1781 OD1 ASN B 84 21.713 0.258 5.278 1.00 2.02 O ATOM 1782 ND2 ASN B 84 21.961 -0.764 3.304 1.00 1.93 N ATOM 0 H ASN B 84 17.721 -1.467 4.680 1.00 0.77 H new ATOM 0 HA ASN B 84 19.921 -1.700 2.751 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.625 -1.168 5.595 1.00 0.93 H new ATOM 0 HB3 ASN B 84 20.739 -2.494 5.325 1.00 0.93 H new ATOM 0 HD21 ASN B 84 22.706 -0.126 3.026 1.00 1.93 H new ATOM 0 HD22 ASN B 84 21.663 -1.507 2.672 1.00 1.93 H new ATOM 1789 N THR B 85 20.268 -4.206 2.833 1.00 0.83 N ATOM 1790 CA THR B 85 20.302 -5.659 2.681 1.00 0.83 C ATOM 1791 C THR B 85 20.604 -6.393 3.995 1.00 0.83 C ATOM 1792 O THR B 85 20.475 -7.615 4.075 1.00 0.96 O ATOM 1793 CB THR B 85 21.338 -6.077 1.618 1.00 0.94 C ATOM 1794 OG1 THR B 85 22.464 -5.183 1.642 1.00 1.11 O ATOM 1795 CG2 THR B 85 20.715 -6.089 0.232 1.00 1.17 C ATOM 0 H THR B 85 20.976 -3.712 2.290 1.00 0.83 H new ATOM 0 HA THR B 85 19.301 -5.949 2.361 1.00 0.83 H new ATOM 0 HB THR B 85 21.678 -7.085 1.853 1.00 0.94 H new ATOM 0 HG1 THR B 85 23.116 -5.459 0.964 1.00 1.11 H new ATOM 0 HG21 THR B 85 21.465 -6.387 -0.501 1.00 1.17 H new ATOM 0 HG22 THR B 85 19.886 -6.797 0.212 1.00 1.17 H new ATOM 0 HG23 THR B 85 20.347 -5.092 -0.010 1.00 1.17 H new ATOM 1803 N SER B 86 21.003 -5.652 5.018 1.00 0.84 N ATOM 1804 CA SER B 86 21.314 -6.241 6.313 1.00 0.88 C ATOM 1805 C SER B 86 20.394 -5.696 7.408 1.00 0.91 C ATOM 1806 O SER B 86 20.720 -5.760 8.594 1.00 1.14 O ATOM 1807 CB SER B 86 22.773 -5.948 6.662 1.00 0.93 C ATOM 1808 OG SER B 86 23.146 -4.651 6.219 1.00 1.23 O ATOM 0 H SER B 86 21.119 -4.640 4.977 1.00 0.84 H new ATOM 0 HA SER B 86 21.156 -7.318 6.251 1.00 0.88 H new ATOM 0 HB2 SER B 86 22.916 -6.024 7.740 1.00 0.93 H new ATOM 0 HB3 SER B 86 23.419 -6.695 6.201 1.00 0.93 H new ATOM 0 HG SER B 86 24.082 -4.482 6.453 1.00 1.23 H new ATOM 1814 N ASP B 87 19.240 -5.175 7.011 1.00 0.85 N ATOM 1815 CA ASP B 87 18.298 -4.607 7.971 1.00 0.88 C ATOM 1816 C ASP B 87 17.062 -5.492 8.137 1.00 0.90 C ATOM 1817 O ASP B 87 16.865 -6.456 7.388 1.00 0.94 O ATOM 1818 CB ASP B 87 17.881 -3.198 7.540 1.00 0.89 C ATOM 1819 CG ASP B 87 17.540 -2.310 8.719 1.00 0.82 C ATOM 1820 OD1 ASP B 87 16.392 -2.366 9.199 1.00 1.09 O ATOM 1821 OD2 ASP B 87 18.421 -1.546 9.164 1.00 1.13 O ATOM 0 H ASP B 87 18.934 -5.133 6.039 1.00 0.85 H new ATOM 0 HA ASP B 87 18.803 -4.552 8.935 1.00 0.88 H new ATOM 0 HB2 ASP B 87 18.689 -2.742 6.967 1.00 0.89 H new ATOM 0 HB3 ASP B 87 17.018 -3.264 6.877 1.00 0.89 H new ATOM 1826 N ASP B 88 16.236 -5.148 9.118 1.00 0.94 N ATOM 1827 CA ASP B 88 15.011 -5.883 9.418 1.00 0.97 C ATOM 1828 C ASP B 88 13.797 -5.055 9.008 1.00 0.93 C ATOM 1829 O ASP B 88 13.613 -3.944 9.503 1.00 0.91 O ATOM 1830 CB ASP B 88 14.942 -6.209 10.917 1.00 1.06 C ATOM 1831 CG ASP B 88 13.804 -7.147 11.267 1.00 1.42 C ATOM 1832 OD1 ASP B 88 13.281 -7.821 10.361 1.00 1.60 O ATOM 1833 OD2 ASP B 88 13.439 -7.235 12.462 1.00 1.90 O ATOM 0 H ASP B 88 16.397 -4.349 9.731 1.00 0.94 H new ATOM 0 HA ASP B 88 15.013 -6.817 8.856 1.00 0.97 H new ATOM 0 HB2 ASP B 88 15.885 -6.658 11.229 1.00 1.06 H new ATOM 0 HB3 ASP B 88 14.828 -5.283 11.480 1.00 1.06 H new ATOM 1838 N PRO B 89 12.958 -5.590 8.102 1.00 0.94 N ATOM 1839 CA PRO B 89 11.756 -4.911 7.590 1.00 0.93 C ATOM 1840 C PRO B 89 10.957 -4.134 8.643 1.00 0.88 C ATOM 1841 O PRO B 89 10.534 -3.003 8.396 1.00 0.82 O ATOM 1842 CB PRO B 89 10.918 -6.073 7.069 1.00 0.99 C ATOM 1843 CG PRO B 89 11.911 -7.087 6.611 1.00 1.06 C ATOM 1844 CD PRO B 89 13.129 -6.921 7.485 1.00 0.99 C ATOM 0 HA PRO B 89 12.026 -4.152 6.856 1.00 0.93 H new ATOM 0 HB2 PRO B 89 10.273 -6.476 7.850 1.00 0.99 H new ATOM 0 HB3 PRO B 89 10.270 -5.757 6.251 1.00 0.99 H new ATOM 0 HG2 PRO B 89 11.505 -8.095 6.699 1.00 1.06 H new ATOM 0 HG3 PRO B 89 12.163 -6.936 5.561 1.00 1.06 H new ATOM 0 HD2 PRO B 89 13.186 -7.705 8.240 1.00 0.99 H new ATOM 0 HD3 PRO B 89 14.048 -6.973 6.901 1.00 0.99 H new ATOM 1852 N TRP B 90 10.758 -4.736 9.812 1.00 0.93 N ATOM 1853 CA TRP B 90 9.983 -4.105 10.885 1.00 0.92 C ATOM 1854 C TRP B 90 10.668 -2.853 11.432 1.00 0.91 C ATOM 1855 O TRP B 90 10.018 -1.986 12.025 1.00 0.92 O ATOM 1856 CB TRP B 90 9.755 -5.093 12.031 1.00 1.02 C ATOM 1857 CG TRP B 90 9.471 -6.495 11.581 1.00 1.06 C ATOM 1858 CD1 TRP B 90 10.282 -7.579 11.737 1.00 1.19 C ATOM 1859 CD2 TRP B 90 8.301 -6.966 10.898 1.00 1.27 C ATOM 1860 NE1 TRP B 90 9.692 -8.695 11.200 1.00 1.42 N ATOM 1861 CE2 TRP B 90 8.476 -8.347 10.676 1.00 1.46 C ATOM 1862 CE3 TRP B 90 7.122 -6.356 10.451 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 7.518 -9.125 10.031 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 6.173 -7.130 9.811 1.00 1.84 C ATOM 1865 CH2 TRP B 90 6.376 -8.502 9.607 1.00 1.97 C ATOM 0 H TRP B 90 11.121 -5.660 10.044 1.00 0.93 H new ATOM 0 HA TRP B 90 9.028 -3.809 10.452 1.00 0.92 H new ATOM 0 HB2 TRP B 90 10.637 -5.100 12.672 1.00 1.02 H new ATOM 0 HB3 TRP B 90 8.921 -4.742 12.639 1.00 1.02 H new ATOM 0 HD1 TRP B 90 11.250 -7.562 12.215 1.00 1.19 H new ATOM 0 HE1 TRP B 90 10.094 -9.632 11.192 1.00 1.42 H new ATOM 0 HE3 TRP B 90 6.958 -5.300 10.604 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 7.671 -10.182 9.871 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 5.260 -6.670 9.462 1.00 1.84 H new ATOM 0 HH2 TRP B 90 5.614 -9.080 9.104 1.00 1.97 H new ATOM 1876 N LEU B 91 11.970 -2.757 11.233 1.00 0.95 N ATOM 1877 CA LEU B 91 12.737 -1.626 11.725 1.00 0.97 C ATOM 1878 C LEU B 91 12.957 -0.584 10.632 1.00 0.88 C ATOM 1879 O LEU B 91 12.719 0.602 10.846 1.00 0.88 O ATOM 1880 CB LEU B 91 14.086 -2.099 12.269 1.00 1.07 C ATOM 1881 CG LEU B 91 14.022 -3.245 13.285 1.00 1.11 C ATOM 1882 CD1 LEU B 91 15.425 -3.647 13.719 1.00 1.24 C ATOM 1883 CD2 LEU B 91 13.179 -2.847 14.490 1.00 1.17 C ATOM 0 H LEU B 91 12.522 -3.453 10.731 1.00 0.95 H new ATOM 0 HA LEU B 91 12.165 -1.161 12.528 1.00 0.97 H new ATOM 0 HB2 LEU B 91 14.706 -2.415 11.430 1.00 1.07 H new ATOM 0 HB3 LEU B 91 14.588 -1.251 12.735 1.00 1.07 H new ATOM 0 HG LEU B 91 13.549 -4.104 12.809 1.00 1.11 H new ATOM 0 HD11 LEU B 91 15.363 -4.462 14.440 1.00 1.24 H new ATOM 0 HD12 LEU B 91 15.995 -3.975 12.850 1.00 1.24 H new ATOM 0 HD13 LEU B 91 15.923 -2.793 14.178 1.00 1.24 H new ATOM 0 HD21 LEU B 91 13.146 -3.674 15.200 1.00 1.17 H new ATOM 0 HD22 LEU B 91 13.620 -1.974 14.970 1.00 1.17 H new ATOM 0 HD23 LEU B 91 12.167 -2.608 14.163 1.00 1.17 H new ATOM 1895 N THR B 92 13.397 -1.035 9.461 1.00 0.81 N ATOM 1896 CA THR B 92 13.658 -0.134 8.341 1.00 0.74 C ATOM 1897 C THR B 92 12.412 0.655 7.953 1.00 0.69 C ATOM 1898 O THR B 92 12.470 1.872 7.766 1.00 0.68 O ATOM 1899 CB THR B 92 14.165 -0.907 7.114 1.00 0.73 C ATOM 1900 OG1 THR B 92 14.433 -2.267 7.472 1.00 0.79 O ATOM 1901 CG2 THR B 92 15.424 -0.266 6.555 1.00 0.84 C ATOM 0 H THR B 92 13.581 -2.018 9.262 1.00 0.81 H new ATOM 0 HA THR B 92 14.428 0.563 8.672 1.00 0.74 H new ATOM 0 HB THR B 92 13.392 -0.879 6.346 1.00 0.73 H new ATOM 0 HG1 THR B 92 15.102 -2.291 8.188 1.00 0.79 H new ATOM 0 HG21 THR B 92 15.765 -0.830 5.687 1.00 0.84 H new ATOM 0 HG22 THR B 92 15.209 0.761 6.259 1.00 0.84 H new ATOM 0 HG23 THR B 92 16.203 -0.268 7.318 1.00 0.84 H new ATOM 1909 N ALA B 93 11.286 -0.038 7.855 1.00 0.72 N ATOM 1910 CA ALA B 93 10.030 0.601 7.494 1.00 0.74 C ATOM 1911 C ALA B 93 9.639 1.640 8.539 1.00 0.78 C ATOM 1912 O ALA B 93 9.236 2.754 8.203 1.00 0.78 O ATOM 1913 CB ALA B 93 8.931 -0.435 7.332 1.00 0.82 C ATOM 0 H ALA B 93 11.217 -1.042 8.020 1.00 0.72 H new ATOM 0 HA ALA B 93 10.165 1.109 6.539 1.00 0.74 H new ATOM 0 HB1 ALA B 93 7.999 0.062 7.062 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.207 -1.139 6.547 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.797 -0.973 8.271 1.00 0.82 H new ATOM 1919 N TYR B 94 9.795 1.275 9.804 1.00 0.82 N ATOM 1920 CA TYR B 94 9.459 2.161 10.909 1.00 0.90 C ATOM 1921 C TYR B 94 10.385 3.376 10.928 1.00 0.88 C ATOM 1922 O TYR B 94 9.956 4.489 11.231 1.00 0.90 O ATOM 1923 CB TYR B 94 9.552 1.407 12.237 1.00 0.98 C ATOM 1924 CG TYR B 94 8.922 2.143 13.396 1.00 1.23 C ATOM 1925 CD1 TYR B 94 7.550 2.348 13.450 1.00 1.31 C ATOM 1926 CD2 TYR B 94 9.702 2.630 14.438 1.00 1.54 C ATOM 1927 CE1 TYR B 94 6.973 3.025 14.506 1.00 1.60 C ATOM 1928 CE2 TYR B 94 9.131 3.306 15.498 1.00 1.80 C ATOM 1929 CZ TYR B 94 7.769 3.499 15.527 1.00 1.79 C ATOM 1930 OH TYR B 94 7.196 4.174 16.578 1.00 2.10 O ATOM 0 H TYR B 94 10.155 0.365 10.091 1.00 0.82 H new ATOM 0 HA TYR B 94 8.436 2.510 10.771 1.00 0.90 H new ATOM 0 HB2 TYR B 94 9.069 0.436 12.128 1.00 0.98 H new ATOM 0 HB3 TYR B 94 10.601 1.217 12.465 1.00 0.98 H new ATOM 0 HD1 TYR B 94 6.924 1.972 12.654 1.00 1.31 H new ATOM 0 HD2 TYR B 94 10.771 2.477 14.418 1.00 1.54 H new ATOM 0 HE1 TYR B 94 5.905 3.182 14.532 1.00 1.60 H new ATOM 0 HE2 TYR B 94 9.750 3.681 16.300 1.00 1.80 H new ATOM 0 HH TYR B 94 7.892 4.441 17.214 1.00 2.10 H new ATOM 1940 N ASN B 95 11.651 3.154 10.592 1.00 0.85 N ATOM 1941 CA ASN B 95 12.646 4.221 10.572 1.00 0.85 C ATOM 1942 C ASN B 95 12.263 5.310 9.577 1.00 0.81 C ATOM 1943 O ASN B 95 12.346 6.497 9.889 1.00 0.83 O ATOM 1944 CB ASN B 95 14.030 3.660 10.239 1.00 0.86 C ATOM 1945 CG ASN B 95 14.840 3.342 11.487 1.00 1.08 C ATOM 1946 OD1 ASN B 95 14.747 4.046 12.495 1.00 1.53 O ATOM 1947 ND2 ASN B 95 15.643 2.289 11.435 1.00 1.29 N ATOM 0 H ASN B 95 12.015 2.238 10.328 1.00 0.85 H new ATOM 0 HA ASN B 95 12.679 4.666 11.566 1.00 0.85 H new ATOM 0 HB2 ASN B 95 13.919 2.756 9.641 1.00 0.86 H new ATOM 0 HB3 ASN B 95 14.575 4.381 9.629 1.00 0.86 H new ATOM 0 HD21 ASN B 95 16.209 2.039 12.246 1.00 1.29 H new ATOM 0 HD22 ASN B 95 15.695 1.729 10.584 1.00 1.29 H new ATOM 1954 N PHE B 96 11.834 4.909 8.386 1.00 0.78 N ATOM 1955 CA PHE B 96 11.435 5.876 7.372 1.00 0.76 C ATOM 1956 C PHE B 96 10.087 6.493 7.729 1.00 0.79 C ATOM 1957 O PHE B 96 9.843 7.675 7.466 1.00 0.79 O ATOM 1958 CB PHE B 96 11.363 5.226 5.985 1.00 0.75 C ATOM 1959 CG PHE B 96 10.937 6.178 4.904 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.823 7.121 4.410 1.00 0.74 C ATOM 1961 CD2 PHE B 96 9.654 6.131 4.386 1.00 0.79 C ATOM 1962 CE1 PHE B 96 11.435 8.000 3.420 1.00 0.75 C ATOM 1963 CE2 PHE B 96 9.261 7.008 3.397 1.00 0.79 C ATOM 1964 CZ PHE B 96 10.153 7.942 2.911 1.00 0.77 C ATOM 0 H PHE B 96 11.754 3.933 8.101 1.00 0.78 H new ATOM 0 HA PHE B 96 12.190 6.661 7.343 1.00 0.76 H new ATOM 0 HB2 PHE B 96 12.341 4.815 5.733 1.00 0.75 H new ATOM 0 HB3 PHE B 96 10.665 4.390 6.019 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.828 7.169 4.804 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.953 5.400 4.761 1.00 0.79 H new ATOM 0 HE1 PHE B 96 12.133 8.733 3.044 1.00 0.75 H new ATOM 0 HE2 PHE B 96 8.256 6.964 3.003 1.00 0.79 H new ATOM 0 HZ PHE B 96 9.849 8.627 2.133 1.00 0.77 H new ATOM 1974 N LEU B 97 9.226 5.692 8.353 1.00 0.82 N ATOM 1975 CA LEU B 97 7.897 6.142 8.754 1.00 0.87 C ATOM 1976 C LEU B 97 7.981 7.335 9.703 1.00 0.88 C ATOM 1977 O LEU B 97 7.209 8.282 9.592 1.00 0.91 O ATOM 1978 CB LEU B 97 7.125 4.998 9.422 1.00 0.93 C ATOM 1979 CG LEU B 97 5.891 4.510 8.665 1.00 1.18 C ATOM 1980 CD1 LEU B 97 6.282 3.930 7.311 1.00 1.34 C ATOM 1981 CD2 LEU B 97 5.143 3.481 9.494 1.00 1.44 C ATOM 0 H LEU B 97 9.428 4.721 8.593 1.00 0.82 H new ATOM 0 HA LEU B 97 7.366 6.456 7.855 1.00 0.87 H new ATOM 0 HB2 LEU B 97 7.803 4.156 9.558 1.00 0.93 H new ATOM 0 HB3 LEU B 97 6.816 5.322 10.416 1.00 0.93 H new ATOM 0 HG LEU B 97 5.233 5.361 8.489 1.00 1.18 H new ATOM 0 HD11 LEU B 97 5.388 3.589 6.789 1.00 1.34 H new ATOM 0 HD12 LEU B 97 6.779 4.697 6.716 1.00 1.34 H new ATOM 0 HD13 LEU B 97 6.960 3.089 7.457 1.00 1.34 H new ATOM 0 HD21 LEU B 97 4.265 3.140 8.945 1.00 1.44 H new ATOM 0 HD22 LEU B 97 5.796 2.633 9.697 1.00 1.44 H new ATOM 0 HD23 LEU B 97 4.830 3.931 10.436 1.00 1.44 H new ATOM 1993 N GLN B 98 8.931 7.294 10.626 1.00 0.88 N ATOM 1994 CA GLN B 98 9.104 8.378 11.586 1.00 0.90 C ATOM 1995 C GLN B 98 10.002 9.476 11.020 1.00 0.89 C ATOM 1996 O GLN B 98 10.212 10.508 11.651 1.00 0.99 O ATOM 1997 CB GLN B 98 9.682 7.850 12.904 1.00 0.93 C ATOM 1998 CG GLN B 98 10.951 7.031 12.731 1.00 1.00 C ATOM 1999 CD GLN B 98 11.476 6.488 14.043 1.00 1.16 C ATOM 2000 OE1 GLN B 98 11.385 7.138 15.083 1.00 1.39 O ATOM 2001 NE2 GLN B 98 12.019 5.283 14.003 1.00 1.27 N ATOM 0 H GLN B 98 9.593 6.525 10.732 1.00 0.88 H new ATOM 0 HA GLN B 98 8.121 8.806 11.782 1.00 0.90 H new ATOM 0 HB2 GLN B 98 9.891 8.693 13.562 1.00 0.93 H new ATOM 0 HB3 GLN B 98 8.930 7.237 13.401 1.00 0.93 H new ATOM 0 HG2 GLN B 98 10.754 6.202 12.051 1.00 1.00 H new ATOM 0 HG3 GLN B 98 11.718 7.650 12.265 1.00 1.00 H new ATOM 0 HE21 GLN B 98 12.075 4.778 13.119 1.00 1.27 H new ATOM 0 HE22 GLN B 98 12.382 4.859 14.856 1.00 1.27 H new ATOM 2010 N LYS B 99 10.524 9.248 9.823 1.00 0.82 N ATOM 2011 CA LYS B 99 11.394 10.218 9.175 1.00 0.81 C ATOM 2012 C LYS B 99 10.571 11.224 8.376 1.00 0.84 C ATOM 2013 O LYS B 99 10.652 12.429 8.607 1.00 0.90 O ATOM 2014 CB LYS B 99 12.395 9.504 8.262 1.00 0.75 C ATOM 2015 CG LYS B 99 13.483 10.414 7.706 1.00 0.87 C ATOM 2016 CD LYS B 99 13.263 10.728 6.235 1.00 1.04 C ATOM 2017 CE LYS B 99 14.183 11.841 5.755 1.00 1.21 C ATOM 2018 NZ LYS B 99 13.803 12.325 4.403 1.00 1.69 N ATOM 0 H LYS B 99 10.360 8.400 9.281 1.00 0.82 H new ATOM 0 HA LYS B 99 11.946 10.758 9.944 1.00 0.81 H new ATOM 0 HB2 LYS B 99 12.864 8.692 8.818 1.00 0.75 H new ATOM 0 HB3 LYS B 99 11.854 9.051 7.431 1.00 0.75 H new ATOM 0 HG2 LYS B 99 13.506 11.343 8.276 1.00 0.87 H new ATOM 0 HG3 LYS B 99 14.455 9.938 7.834 1.00 0.87 H new ATOM 0 HD2 LYS B 99 13.436 9.831 5.641 1.00 1.04 H new ATOM 0 HD3 LYS B 99 12.225 11.020 6.076 1.00 1.04 H new ATOM 0 HE2 LYS B 99 14.149 12.671 6.461 1.00 1.21 H new ATOM 0 HE3 LYS B 99 15.211 11.480 5.736 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 14.338 13.189 4.180 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 14.020 11.592 3.698 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 12.784 12.534 4.383 1.00 1.69 H new ATOM 2032 N ASN B 100 9.766 10.720 7.448 1.00 0.85 N ATOM 2033 CA ASN B 100 8.930 11.584 6.615 1.00 0.94 C ATOM 2034 C ASN B 100 7.542 11.733 7.220 1.00 0.99 C ATOM 2035 O ASN B 100 6.652 12.328 6.609 1.00 1.09 O ATOM 2036 CB ASN B 100 8.817 11.028 5.193 1.00 0.97 C ATOM 2037 CG ASN B 100 9.713 11.745 4.202 1.00 1.10 C ATOM 2038 OD1 ASN B 100 10.880 12.030 4.482 1.00 1.14 O ATOM 2039 ND2 ASN B 100 9.172 12.044 3.031 1.00 1.50 N ATOM 0 H ASN B 100 9.673 9.723 7.252 1.00 0.85 H new ATOM 0 HA ASN B 100 9.405 12.564 6.571 1.00 0.94 H new ATOM 0 HB2 ASN B 100 9.071 9.968 5.202 1.00 0.97 H new ATOM 0 HB3 ASN B 100 7.782 11.105 4.860 1.00 0.97 H new ATOM 0 HD21 ASN B 100 9.724 12.527 2.322 1.00 1.50 H new ATOM 0 HD22 ASN B 100 8.203 11.791 2.837 1.00 1.50 H new ATOM 2046 N ASP B 101 7.381 11.193 8.424 1.00 0.96 N ATOM 2047 CA ASP B 101 6.112 11.230 9.156 1.00 1.05 C ATOM 2048 C ASP B 101 4.996 10.561 8.361 1.00 1.06 C ATOM 2049 O ASP B 101 4.213 11.217 7.669 1.00 1.14 O ATOM 2050 CB ASP B 101 5.714 12.663 9.536 1.00 1.15 C ATOM 2051 CG ASP B 101 4.416 12.713 10.326 1.00 1.24 C ATOM 2052 OD1 ASP B 101 4.050 11.698 10.957 1.00 1.97 O ATOM 2053 OD2 ASP B 101 3.753 13.769 10.316 1.00 1.37 O ATOM 0 H ASP B 101 8.129 10.714 8.925 1.00 0.96 H new ATOM 0 HA ASP B 101 6.261 10.670 10.079 1.00 1.05 H new ATOM 0 HB2 ASP B 101 6.512 13.115 10.125 1.00 1.15 H new ATOM 0 HB3 ASP B 101 5.608 13.260 8.630 1.00 1.15 H new ATOM 2058 N LEU B 102 4.946 9.248 8.450 1.00 1.03 N ATOM 2059 CA LEU B 102 3.935 8.468 7.765 1.00 1.06 C ATOM 2060 C LEU B 102 3.034 7.796 8.789 1.00 1.13 C ATOM 2061 O LEU B 102 3.435 7.591 9.934 1.00 1.21 O ATOM 2062 CB LEU B 102 4.580 7.409 6.860 1.00 0.99 C ATOM 2063 CG LEU B 102 4.786 7.805 5.392 1.00 1.12 C ATOM 2064 CD1 LEU B 102 3.481 8.271 4.765 1.00 1.66 C ATOM 2065 CD2 LEU B 102 5.857 8.879 5.266 1.00 1.51 C ATOM 0 H LEU B 102 5.603 8.692 8.998 1.00 1.03 H new ATOM 0 HA LEU B 102 3.344 9.136 7.139 1.00 1.06 H new ATOM 0 HB2 LEU B 102 5.549 7.142 7.282 1.00 0.99 H new ATOM 0 HB3 LEU B 102 3.962 6.512 6.889 1.00 0.99 H new ATOM 0 HG LEU B 102 5.124 6.921 4.851 1.00 1.12 H new ATOM 0 HD11 LEU B 102 3.655 8.546 3.725 1.00 1.66 H new ATOM 0 HD12 LEU B 102 2.748 7.466 4.810 1.00 1.66 H new ATOM 0 HD13 LEU B 102 3.104 9.136 5.310 1.00 1.66 H new ATOM 0 HD21 LEU B 102 5.985 9.143 4.216 1.00 1.51 H new ATOM 0 HD22 LEU B 102 5.554 9.762 5.828 1.00 1.51 H new ATOM 0 HD23 LEU B 102 6.799 8.501 5.663 1.00 1.51 H new ATOM 2077 N ASN B 103 1.825 7.459 8.378 1.00 1.17 N ATOM 2078 CA ASN B 103 0.870 6.811 9.266 1.00 1.23 C ATOM 2079 C ASN B 103 1.288 5.360 9.527 1.00 1.14 C ATOM 2080 O ASN B 103 1.431 4.573 8.588 1.00 1.05 O ATOM 2081 CB ASN B 103 -0.530 6.861 8.647 1.00 1.31 C ATOM 2082 CG ASN B 103 -1.637 6.551 9.641 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -1.493 5.692 10.511 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -2.749 7.257 9.523 1.00 1.75 N ATOM 0 H ASN B 103 1.478 7.623 7.433 1.00 1.17 H new ATOM 0 HA ASN B 103 0.854 7.341 10.218 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -0.698 7.851 8.224 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.581 6.149 7.823 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -3.525 7.098 10.166 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -2.831 7.960 8.789 1.00 1.75 H new ATOM 2091 N PRO B 104 1.497 4.991 10.809 1.00 1.18 N ATOM 2092 CA PRO B 104 1.896 3.629 11.207 1.00 1.12 C ATOM 2093 C PRO B 104 0.898 2.566 10.754 1.00 1.04 C ATOM 2094 O PRO B 104 1.193 1.372 10.780 1.00 1.02 O ATOM 2095 CB PRO B 104 1.941 3.699 12.737 1.00 1.22 C ATOM 2096 CG PRO B 104 2.129 5.143 13.045 1.00 1.34 C ATOM 2097 CD PRO B 104 1.383 5.885 11.977 1.00 1.30 C ATOM 0 HA PRO B 104 2.843 3.340 10.750 1.00 1.12 H new ATOM 0 HB2 PRO B 104 1.020 3.317 13.178 1.00 1.22 H new ATOM 0 HB3 PRO B 104 2.759 3.099 13.137 1.00 1.22 H new ATOM 0 HG2 PRO B 104 1.742 5.386 14.034 1.00 1.34 H new ATOM 0 HG3 PRO B 104 3.186 5.410 13.042 1.00 1.34 H new ATOM 0 HD2 PRO B 104 0.343 6.055 12.255 1.00 1.30 H new ATOM 0 HD3 PRO B 104 1.824 6.862 11.782 1.00 1.30 H new ATOM 2105 N MET B 105 -0.284 3.005 10.344 1.00 1.03 N ATOM 2106 CA MET B 105 -1.324 2.100 9.869 1.00 1.01 C ATOM 2107 C MET B 105 -0.899 1.435 8.558 1.00 1.00 C ATOM 2108 O MET B 105 -1.401 0.370 8.199 1.00 1.03 O ATOM 2109 CB MET B 105 -2.630 2.871 9.667 1.00 1.05 C ATOM 2110 CG MET B 105 -3.858 1.984 9.534 1.00 1.03 C ATOM 2111 SD MET B 105 -5.376 2.932 9.301 1.00 1.43 S ATOM 2112 CE MET B 105 -5.386 3.931 10.788 1.00 1.60 C ATOM 0 H MET B 105 -0.549 3.990 10.331 1.00 1.03 H new ATOM 0 HA MET B 105 -1.479 1.322 10.617 1.00 1.01 H new ATOM 0 HB2 MET B 105 -2.774 3.549 10.508 1.00 1.05 H new ATOM 0 HB3 MET B 105 -2.541 3.488 8.773 1.00 1.05 H new ATOM 0 HG2 MET B 105 -3.723 1.307 8.690 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.953 1.366 10.426 1.00 1.03 H new ATOM 0 HE1 MET B 105 -6.396 4.296 10.974 1.00 1.60 H new ATOM 0 HE2 MET B 105 -5.056 3.328 11.634 1.00 1.60 H new ATOM 0 HE3 MET B 105 -4.712 4.778 10.662 1.00 1.60 H new ATOM 2122 N PHE B 106 0.045 2.066 7.867 1.00 1.00 N ATOM 2123 CA PHE B 106 0.552 1.566 6.591 1.00 1.03 C ATOM 2124 C PHE B 106 1.832 0.752 6.784 1.00 0.99 C ATOM 2125 O PHE B 106 2.581 0.525 5.831 1.00 0.98 O ATOM 2126 CB PHE B 106 0.839 2.741 5.648 1.00 1.06 C ATOM 2127 CG PHE B 106 -0.128 2.868 4.508 1.00 1.38 C ATOM 2128 CD1 PHE B 106 -0.300 1.831 3.607 1.00 1.92 C ATOM 2129 CD2 PHE B 106 -0.854 4.034 4.329 1.00 1.72 C ATOM 2130 CE1 PHE B 106 -1.178 1.954 2.549 1.00 2.44 C ATOM 2131 CE2 PHE B 106 -1.733 4.163 3.272 1.00 2.20 C ATOM 2132 CZ PHE B 106 -1.896 3.121 2.382 1.00 2.46 C ATOM 0 H PHE B 106 0.480 2.936 8.174 1.00 1.00 H new ATOM 0 HA PHE B 106 -0.210 0.918 6.158 1.00 1.03 H new ATOM 0 HB2 PHE B 106 0.826 3.666 6.225 1.00 1.06 H new ATOM 0 HB3 PHE B 106 1.846 2.631 5.245 1.00 1.06 H new ATOM 0 HD1 PHE B 106 0.259 0.916 3.733 1.00 1.92 H new ATOM 0 HD2 PHE B 106 -0.731 4.851 5.024 1.00 1.72 H new ATOM 0 HE1 PHE B 106 -1.303 1.138 1.853 1.00 2.44 H new ATOM 0 HE2 PHE B 106 -2.292 5.078 3.142 1.00 2.20 H new ATOM 0 HZ PHE B 106 -2.585 3.219 1.556 1.00 2.46 H new ATOM 2142 N LEU B 107 2.079 0.311 8.013 1.00 1.00 N ATOM 2143 CA LEU B 107 3.280 -0.462 8.327 1.00 0.97 C ATOM 2144 C LEU B 107 3.214 -1.872 7.740 1.00 0.99 C ATOM 2145 O LEU B 107 4.219 -2.579 7.683 1.00 0.90 O ATOM 2146 CB LEU B 107 3.479 -0.533 9.845 1.00 1.00 C ATOM 2147 CG LEU B 107 4.790 -1.175 10.313 1.00 0.99 C ATOM 2148 CD1 LEU B 107 5.974 -0.267 10.012 1.00 0.98 C ATOM 2149 CD2 LEU B 107 4.724 -1.493 11.798 1.00 1.10 C ATOM 0 H LEU B 107 1.464 0.475 8.810 1.00 1.00 H new ATOM 0 HA LEU B 107 4.130 0.047 7.874 1.00 0.97 H new ATOM 0 HB2 LEU B 107 3.427 0.479 10.248 1.00 1.00 H new ATOM 0 HB3 LEU B 107 2.648 -1.091 10.276 1.00 1.00 H new ATOM 0 HG LEU B 107 4.930 -2.107 9.765 1.00 0.99 H new ATOM 0 HD11 LEU B 107 6.893 -0.743 10.353 1.00 0.98 H new ATOM 0 HD12 LEU B 107 6.033 -0.090 8.938 1.00 0.98 H new ATOM 0 HD13 LEU B 107 5.844 0.684 10.529 1.00 0.98 H new ATOM 0 HD21 LEU B 107 5.662 -1.948 12.115 1.00 1.10 H new ATOM 0 HD22 LEU B 107 4.559 -0.574 12.360 1.00 1.10 H new ATOM 0 HD23 LEU B 107 3.903 -2.185 11.986 1.00 1.10 H new ATOM 2161 N ASP B 108 2.035 -2.271 7.285 1.00 1.16 N ATOM 2162 CA ASP B 108 1.846 -3.600 6.724 1.00 1.22 C ATOM 2163 C ASP B 108 2.316 -3.667 5.268 1.00 1.10 C ATOM 2164 O ASP B 108 3.155 -4.499 4.925 1.00 1.08 O ATOM 2165 CB ASP B 108 0.377 -4.043 6.838 1.00 1.48 C ATOM 2166 CG ASP B 108 -0.600 -3.124 6.121 1.00 1.75 C ATOM 2167 OD1 ASP B 108 -0.303 -1.916 5.978 1.00 2.33 O ATOM 2168 OD2 ASP B 108 -1.680 -3.602 5.718 1.00 2.08 O ATOM 0 H ASP B 108 1.195 -1.693 7.294 1.00 1.16 H new ATOM 0 HA ASP B 108 2.459 -4.289 7.305 1.00 1.22 H new ATOM 0 HB2 ASP B 108 0.279 -5.050 6.432 1.00 1.48 H new ATOM 0 HB3 ASP B 108 0.104 -4.096 7.892 1.00 1.48 H new ATOM 2173 N GLN B 109 1.788 -2.783 4.425 1.00 1.14 N ATOM 2174 CA GLN B 109 2.139 -2.754 3.006 1.00 1.10 C ATOM 2175 C GLN B 109 3.643 -2.625 2.795 1.00 0.94 C ATOM 2176 O GLN B 109 4.232 -3.368 2.004 1.00 0.94 O ATOM 2177 CB GLN B 109 1.415 -1.601 2.296 1.00 1.23 C ATOM 2178 CG GLN B 109 2.017 -1.249 0.940 1.00 1.27 C ATOM 2179 CD GLN B 109 1.277 -0.137 0.221 1.00 1.45 C ATOM 2180 OE1 GLN B 109 0.053 -0.031 0.289 1.00 1.58 O ATOM 2181 NE2 GLN B 109 2.021 0.706 -0.480 1.00 1.98 N ATOM 0 H GLN B 109 1.111 -2.072 4.702 1.00 1.14 H new ATOM 0 HA GLN B 109 1.819 -3.703 2.576 1.00 1.10 H new ATOM 0 HB2 GLN B 109 0.367 -1.869 2.161 1.00 1.23 H new ATOM 0 HB3 GLN B 109 1.439 -0.719 2.936 1.00 1.23 H new ATOM 0 HG2 GLN B 109 3.057 -0.953 1.079 1.00 1.27 H new ATOM 0 HG3 GLN B 109 2.020 -2.139 0.311 1.00 1.27 H new ATOM 0 HE21 GLN B 109 3.033 0.587 -0.513 1.00 1.98 H new ATOM 0 HE22 GLN B 109 1.581 1.474 -0.986 1.00 1.98 H new ATOM 2190 N VAL B 110 4.262 -1.697 3.509 1.00 0.88 N ATOM 2191 CA VAL B 110 5.694 -1.464 3.374 1.00 0.78 C ATOM 2192 C VAL B 110 6.515 -2.677 3.813 1.00 0.76 C ATOM 2193 O VAL B 110 7.493 -3.034 3.158 1.00 0.76 O ATOM 2194 CB VAL B 110 6.152 -0.210 4.155 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.607 1.046 3.497 1.00 0.74 C ATOM 2196 CG2 VAL B 110 5.720 -0.277 5.612 1.00 0.79 C ATOM 0 H VAL B 110 3.797 -1.093 4.187 1.00 0.88 H new ATOM 0 HA VAL B 110 5.874 -1.293 2.313 1.00 0.78 H new ATOM 0 HB VAL B 110 7.241 -0.178 4.132 1.00 0.70 H new ATOM 0 HG11 VAL B 110 5.936 1.922 4.056 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.975 1.109 2.473 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.518 1.009 3.489 1.00 0.74 H new ATOM 0 HG21 VAL B 110 6.057 0.619 6.133 1.00 0.79 H new ATOM 0 HG22 VAL B 110 4.633 -0.341 5.667 1.00 0.79 H new ATOM 0 HG23 VAL B 110 6.159 -1.157 6.082 1.00 0.79 H new ATOM 2206 N ALA B 111 6.101 -3.322 4.895 1.00 0.77 N ATOM 2207 CA ALA B 111 6.816 -4.482 5.410 1.00 0.77 C ATOM 2208 C ALA B 111 6.680 -5.679 4.478 1.00 0.82 C ATOM 2209 O ALA B 111 7.662 -6.369 4.200 1.00 0.80 O ATOM 2210 CB ALA B 111 6.315 -4.841 6.801 1.00 0.81 C ATOM 0 H ALA B 111 5.274 -3.062 5.433 1.00 0.77 H new ATOM 0 HA ALA B 111 7.872 -4.220 5.469 1.00 0.77 H new ATOM 0 HB1 ALA B 111 6.860 -5.710 7.171 1.00 0.81 H new ATOM 0 HB2 ALA B 111 6.475 -3.999 7.474 1.00 0.81 H new ATOM 0 HB3 ALA B 111 5.251 -5.072 6.756 1.00 0.81 H new ATOM 2216 N LYS B 112 5.464 -5.912 3.990 1.00 0.89 N ATOM 2217 CA LYS B 112 5.188 -7.035 3.096 1.00 0.96 C ATOM 2218 C LYS B 112 6.078 -6.998 1.854 1.00 0.96 C ATOM 2219 O LYS B 112 6.611 -8.027 1.436 1.00 1.00 O ATOM 2220 CB LYS B 112 3.713 -7.039 2.674 1.00 1.05 C ATOM 2221 CG LYS B 112 2.740 -7.285 3.819 1.00 1.15 C ATOM 2222 CD LYS B 112 2.675 -8.756 4.201 1.00 1.13 C ATOM 2223 CE LYS B 112 1.908 -8.953 5.498 1.00 1.18 C ATOM 2224 NZ LYS B 112 1.527 -10.374 5.711 1.00 1.69 N ATOM 0 H LYS B 112 4.650 -5.335 4.200 1.00 0.89 H new ATOM 0 HA LYS B 112 5.408 -7.949 3.647 1.00 0.96 H new ATOM 0 HB2 LYS B 112 3.476 -6.082 2.210 1.00 1.05 H new ATOM 0 HB3 LYS B 112 3.565 -7.807 1.915 1.00 1.05 H new ATOM 0 HG2 LYS B 112 3.043 -6.698 4.686 1.00 1.15 H new ATOM 0 HG3 LYS B 112 1.747 -6.940 3.532 1.00 1.15 H new ATOM 0 HD2 LYS B 112 2.195 -9.321 3.402 1.00 1.13 H new ATOM 0 HD3 LYS B 112 3.685 -9.152 4.309 1.00 1.13 H new ATOM 0 HE2 LYS B 112 2.518 -8.612 6.335 1.00 1.18 H new ATOM 0 HE3 LYS B 112 1.010 -8.335 5.485 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 0.518 -10.430 5.957 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 1.701 -10.915 4.840 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 2.095 -10.773 6.486 1.00 1.69 H new ATOM 2238 N PHE B 113 6.238 -5.812 1.280 1.00 0.94 N ATOM 2239 CA PHE B 113 7.058 -5.647 0.085 1.00 0.96 C ATOM 2240 C PHE B 113 8.520 -5.966 0.383 1.00 0.90 C ATOM 2241 O PHE B 113 9.181 -6.674 -0.379 1.00 0.96 O ATOM 2242 CB PHE B 113 6.932 -4.219 -0.450 1.00 0.96 C ATOM 2243 CG PHE B 113 7.526 -4.032 -1.822 1.00 1.20 C ATOM 2244 CD1 PHE B 113 6.754 -4.229 -2.956 1.00 1.58 C ATOM 2245 CD2 PHE B 113 8.855 -3.662 -1.978 1.00 1.55 C ATOM 2246 CE1 PHE B 113 7.295 -4.063 -4.218 1.00 2.05 C ATOM 2247 CE2 PHE B 113 9.399 -3.498 -3.237 1.00 2.03 C ATOM 2248 CZ PHE B 113 8.618 -3.698 -4.356 1.00 2.21 C ATOM 0 H PHE B 113 5.812 -4.951 1.622 1.00 0.94 H new ATOM 0 HA PHE B 113 6.700 -6.344 -0.673 1.00 0.96 H new ATOM 0 HB2 PHE B 113 5.878 -3.943 -0.479 1.00 0.96 H new ATOM 0 HB3 PHE B 113 7.421 -3.536 0.244 1.00 0.96 H new ATOM 0 HD1 PHE B 113 5.718 -4.516 -2.853 1.00 1.58 H new ATOM 0 HD2 PHE B 113 9.470 -3.501 -1.105 1.00 1.55 H new ATOM 0 HE1 PHE B 113 6.683 -4.219 -5.094 1.00 2.05 H new ATOM 0 HE2 PHE B 113 10.435 -3.213 -3.345 1.00 2.03 H new ATOM 0 HZ PHE B 113 9.042 -3.569 -5.341 1.00 2.21 H new ATOM 2258 N ILE B 114 9.018 -5.447 1.500 1.00 0.80 N ATOM 2259 CA ILE B 114 10.403 -5.672 1.901 1.00 0.77 C ATOM 2260 C ILE B 114 10.677 -7.157 2.133 1.00 0.82 C ATOM 2261 O ILE B 114 11.749 -7.661 1.795 1.00 0.84 O ATOM 2262 CB ILE B 114 10.761 -4.884 3.181 1.00 0.69 C ATOM 2263 CG1 ILE B 114 10.545 -3.385 2.970 1.00 0.69 C ATOM 2264 CG2 ILE B 114 12.199 -5.157 3.593 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.651 -2.578 4.245 1.00 0.63 C ATOM 0 H ILE B 114 8.482 -4.866 2.145 1.00 0.80 H new ATOM 0 HA ILE B 114 11.027 -5.315 1.082 1.00 0.77 H new ATOM 0 HB ILE B 114 10.102 -5.219 3.982 1.00 0.69 H new ATOM 0 HG12 ILE B 114 11.279 -3.017 2.254 1.00 0.69 H new ATOM 0 HG13 ILE B 114 9.561 -3.226 2.529 1.00 0.69 H new ATOM 0 HG21 ILE B 114 12.432 -4.593 4.496 1.00 0.68 H new ATOM 0 HG22 ILE B 114 12.326 -6.222 3.787 1.00 0.68 H new ATOM 0 HG23 ILE B 114 12.871 -4.852 2.791 1.00 0.68 H new ATOM 0 HD11 ILE B 114 10.487 -1.524 4.023 1.00 0.63 H new ATOM 0 HD12 ILE B 114 9.899 -2.920 4.956 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.643 -2.708 4.676 1.00 0.63 H new ATOM 2277 N ILE B 115 9.697 -7.854 2.692 1.00 0.86 N ATOM 2278 CA ILE B 115 9.833 -9.276 2.976 1.00 0.94 C ATOM 2279 C ILE B 115 10.027 -10.087 1.694 1.00 0.95 C ATOM 2280 O ILE B 115 10.924 -10.929 1.615 1.00 1.00 O ATOM 2281 CB ILE B 115 8.613 -9.811 3.764 1.00 1.00 C ATOM 2282 CG1 ILE B 115 8.601 -9.218 5.174 1.00 1.03 C ATOM 2283 CG2 ILE B 115 8.632 -11.333 3.829 1.00 1.07 C ATOM 2284 CD1 ILE B 115 7.344 -9.528 5.961 1.00 1.10 C ATOM 0 H ILE B 115 8.796 -7.456 2.958 1.00 0.86 H new ATOM 0 HA ILE B 115 10.723 -9.394 3.594 1.00 0.94 H new ATOM 0 HB ILE B 115 7.705 -9.507 3.243 1.00 1.00 H new ATOM 0 HG12 ILE B 115 9.464 -9.595 5.723 1.00 1.03 H new ATOM 0 HG13 ILE B 115 8.716 -8.136 5.103 1.00 1.03 H new ATOM 0 HG21 ILE B 115 7.765 -11.684 4.388 1.00 1.07 H new ATOM 0 HG22 ILE B 115 8.602 -11.741 2.819 1.00 1.07 H new ATOM 0 HG23 ILE B 115 9.543 -11.665 4.327 1.00 1.07 H new ATOM 0 HD11 ILE B 115 7.412 -9.073 6.949 1.00 1.10 H new ATOM 0 HD12 ILE B 115 6.477 -9.126 5.436 1.00 1.10 H new ATOM 0 HD13 ILE B 115 7.237 -10.608 6.065 1.00 1.10 H new ATOM 2296 N ASP B 116 9.219 -9.811 0.673 1.00 0.93 N ATOM 2297 CA ASP B 116 9.332 -10.547 -0.583 1.00 0.97 C ATOM 2298 C ASP B 116 10.580 -10.132 -1.350 1.00 0.95 C ATOM 2299 O ASP B 116 11.039 -10.856 -2.229 1.00 0.96 O ATOM 2300 CB ASP B 116 8.098 -10.369 -1.465 1.00 1.05 C ATOM 2301 CG ASP B 116 7.927 -11.536 -2.423 1.00 1.19 C ATOM 2302 OD1 ASP B 116 7.393 -12.581 -2.001 1.00 1.25 O ATOM 2303 OD2 ASP B 116 8.343 -11.429 -3.597 1.00 1.38 O ATOM 0 H ASP B 116 8.491 -9.096 0.689 1.00 0.93 H new ATOM 0 HA ASP B 116 9.410 -11.602 -0.322 1.00 0.97 H new ATOM 0 HB2 ASP B 116 7.211 -10.278 -0.838 1.00 1.05 H new ATOM 0 HB3 ASP B 116 8.184 -9.442 -2.031 1.00 1.05 H new ATOM 2308 N ASN B 117 11.130 -8.978 -1.006 1.00 0.93 N ATOM 2309 CA ASN B 117 12.342 -8.487 -1.650 1.00 0.92 C ATOM 2310 C ASN B 117 13.496 -9.454 -1.399 1.00 0.91 C ATOM 2311 O ASN B 117 14.245 -9.799 -2.312 1.00 0.93 O ATOM 2312 CB ASN B 117 12.704 -7.088 -1.125 1.00 0.90 C ATOM 2313 CG ASN B 117 14.150 -6.704 -1.400 1.00 0.96 C ATOM 2314 OD1 ASN B 117 14.474 -6.179 -2.464 1.00 1.13 O ATOM 2315 ND2 ASN B 117 15.029 -6.951 -0.436 1.00 0.90 N ATOM 0 H ASN B 117 10.757 -8.362 -0.284 1.00 0.93 H new ATOM 0 HA ASN B 117 12.161 -8.419 -2.723 1.00 0.92 H new ATOM 0 HB2 ASN B 117 12.045 -6.352 -1.585 1.00 0.90 H new ATOM 0 HB3 ASN B 117 12.522 -7.051 -0.051 1.00 0.90 H new ATOM 0 HD21 ASN B 117 16.010 -6.704 -0.565 1.00 0.90 H new ATOM 0 HD22 ASN B 117 14.723 -7.388 0.433 1.00 0.90 H new ATOM 2322 N THR B 118 13.616 -9.905 -0.157 1.00 0.91 N ATOM 2323 CA THR B 118 14.674 -10.829 0.214 1.00 0.93 C ATOM 2324 C THR B 118 14.237 -12.284 0.018 1.00 0.95 C ATOM 2325 O THR B 118 15.043 -13.139 -0.355 1.00 0.99 O ATOM 2326 CB THR B 118 15.102 -10.605 1.675 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.787 -9.258 2.065 1.00 0.98 O ATOM 2328 CG2 THR B 118 16.593 -10.848 1.846 1.00 1.04 C ATOM 0 H THR B 118 12.993 -9.645 0.608 1.00 0.91 H new ATOM 0 HA THR B 118 15.524 -10.634 -0.440 1.00 0.93 H new ATOM 0 HB THR B 118 14.562 -11.311 2.307 1.00 0.89 H new ATOM 0 HG1 THR B 118 15.058 -9.115 2.996 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.871 -10.683 2.887 1.00 1.04 H new ATOM 0 HG22 THR B 118 16.829 -11.874 1.565 1.00 1.04 H new ATOM 0 HG23 THR B 118 17.149 -10.161 1.209 1.00 1.04 H new ATOM 2336 N LYS B 119 12.959 -12.560 0.259 1.00 1.14 N ATOM 2337 CA LYS B 119 12.427 -13.911 0.104 1.00 1.18 C ATOM 2338 C LYS B 119 12.336 -14.301 -1.371 1.00 1.25 C ATOM 2339 O LYS B 119 12.926 -15.293 -1.801 1.00 1.18 O ATOM 2340 CB LYS B 119 11.048 -14.020 0.765 1.00 1.16 C ATOM 2341 CG LYS B 119 10.347 -15.342 0.506 1.00 1.26 C ATOM 2342 CD LYS B 119 8.995 -15.410 1.198 1.00 1.11 C ATOM 2343 CE LYS B 119 8.047 -14.328 0.699 1.00 1.63 C ATOM 2344 NZ LYS B 119 6.635 -14.630 1.046 1.00 2.10 N ATOM 0 H LYS B 119 12.273 -11.868 0.562 1.00 1.14 H new ATOM 0 HA LYS B 119 13.112 -14.601 0.597 1.00 1.18 H new ATOM 0 HB2 LYS B 119 11.159 -13.883 1.841 1.00 1.16 H new ATOM 0 HB3 LYS B 119 10.417 -13.208 0.404 1.00 1.16 H new ATOM 0 HG2 LYS B 119 10.213 -15.478 -0.567 1.00 1.26 H new ATOM 0 HG3 LYS B 119 10.976 -16.161 0.855 1.00 1.26 H new ATOM 0 HD2 LYS B 119 8.549 -16.390 1.028 1.00 1.11 H new ATOM 0 HD3 LYS B 119 9.132 -15.304 2.274 1.00 1.11 H new ATOM 0 HE2 LYS B 119 8.330 -13.368 1.132 1.00 1.63 H new ATOM 0 HE3 LYS B 119 8.143 -14.231 -0.382 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 6.080 -13.750 1.039 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 6.241 -15.294 0.349 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 6.594 -15.057 1.993 1.00 2.10 H new ATOM 2358 N GLY B 120 11.602 -13.513 -2.139 1.00 1.50 N ATOM 2359 CA GLY B 120 11.444 -13.785 -3.551 1.00 1.61 C ATOM 2360 C GLY B 120 10.369 -14.811 -3.836 1.00 1.60 C ATOM 2361 O GLY B 120 10.663 -15.906 -4.318 1.00 1.81 O ATOM 0 H GLY B 120 11.109 -12.684 -1.807 1.00 1.50 H new ATOM 0 HA2 GLY B 120 11.201 -12.858 -4.070 1.00 1.61 H new ATOM 0 HA3 GLY B 120 12.392 -14.138 -3.956 1.00 1.61 H new ATOM 2365 N GLN B 121 9.120 -14.470 -3.555 1.00 1.41 N ATOM 2366 CA GLN B 121 8.018 -15.390 -3.800 1.00 1.44 C ATOM 2367 C GLN B 121 7.021 -14.781 -4.776 1.00 1.31 C ATOM 2368 O GLN B 121 6.617 -15.422 -5.742 1.00 1.43 O ATOM 2369 CB GLN B 121 7.321 -15.763 -2.491 1.00 1.40 C ATOM 2370 CG GLN B 121 6.352 -16.925 -2.632 1.00 1.46 C ATOM 2371 CD GLN B 121 6.057 -17.600 -1.312 1.00 1.55 C ATOM 2372 OE1 GLN B 121 6.029 -16.959 -0.261 1.00 1.64 O ATOM 2373 NE2 GLN B 121 5.847 -18.906 -1.355 1.00 2.11 N ATOM 0 H GLN B 121 8.845 -13.571 -3.160 1.00 1.41 H new ATOM 0 HA GLN B 121 8.426 -16.299 -4.242 1.00 1.44 H new ATOM 0 HB2 GLN B 121 8.075 -16.017 -1.746 1.00 1.40 H new ATOM 0 HB3 GLN B 121 6.782 -14.894 -2.115 1.00 1.40 H new ATOM 0 HG2 GLN B 121 5.420 -16.565 -3.068 1.00 1.46 H new ATOM 0 HG3 GLN B 121 6.767 -17.657 -3.325 1.00 1.46 H new ATOM 0 HE21 GLN B 121 5.879 -19.399 -2.248 1.00 2.11 H new ATOM 0 HE22 GLN B 121 5.653 -19.420 -0.496 1.00 2.11 H new ATOM 2382 N MET B 122 6.629 -13.544 -4.525 1.00 1.11 N ATOM 2383 CA MET B 122 5.686 -12.854 -5.393 1.00 1.05 C ATOM 2384 C MET B 122 6.425 -12.174 -6.540 1.00 1.07 C ATOM 2385 O MET B 122 5.976 -12.200 -7.688 1.00 1.09 O ATOM 2386 CB MET B 122 4.886 -11.815 -4.601 1.00 1.10 C ATOM 2387 CG MET B 122 3.716 -11.224 -5.374 1.00 0.99 C ATOM 2388 SD MET B 122 2.357 -12.394 -5.594 1.00 1.81 S ATOM 2389 CE MET B 122 1.847 -12.647 -3.892 1.00 1.92 C ATOM 0 H MET B 122 6.948 -12.995 -3.727 1.00 1.11 H new ATOM 0 HA MET B 122 4.994 -13.591 -5.802 1.00 1.05 H new ATOM 0 HB2 MET B 122 4.510 -12.277 -3.688 1.00 1.10 H new ATOM 0 HB3 MET B 122 5.554 -11.009 -4.298 1.00 1.10 H new ATOM 0 HG2 MET B 122 3.348 -10.342 -4.849 1.00 0.99 H new ATOM 0 HG3 MET B 122 4.064 -10.891 -6.352 1.00 0.99 H new ATOM 0 HE1 MET B 122 0.813 -12.991 -3.869 1.00 1.92 H new ATOM 0 HE2 MET B 122 2.488 -13.396 -3.427 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.930 -11.708 -3.344 1.00 1.92 H new ATOM 2399 N LEU B 123 7.564 -11.572 -6.224 1.00 1.19 N ATOM 2400 CA LEU B 123 8.362 -10.877 -7.226 1.00 1.33 C ATOM 2401 C LEU B 123 9.531 -11.731 -7.709 1.00 1.36 C ATOM 2402 O LEU B 123 9.820 -11.786 -8.906 1.00 1.48 O ATOM 2403 CB LEU B 123 8.897 -9.562 -6.656 1.00 1.57 C ATOM 2404 CG LEU B 123 7.834 -8.580 -6.158 1.00 1.57 C ATOM 2405 CD1 LEU B 123 8.480 -7.462 -5.355 1.00 1.82 C ATOM 2406 CD2 LEU B 123 7.043 -8.012 -7.326 1.00 1.59 C ATOM 0 H LEU B 123 7.956 -11.551 -5.283 1.00 1.19 H new ATOM 0 HA LEU B 123 7.712 -10.675 -8.077 1.00 1.33 H new ATOM 0 HB2 LEU B 123 9.570 -9.791 -5.830 1.00 1.57 H new ATOM 0 HB3 LEU B 123 9.492 -9.068 -7.424 1.00 1.57 H new ATOM 0 HG LEU B 123 7.144 -9.118 -5.507 1.00 1.57 H new ATOM 0 HD11 LEU B 123 7.711 -6.772 -5.008 1.00 1.82 H new ATOM 0 HD12 LEU B 123 9.002 -7.885 -4.497 1.00 1.82 H new ATOM 0 HD13 LEU B 123 9.191 -6.926 -5.984 1.00 1.82 H new ATOM 0 HD21 LEU B 123 6.292 -7.316 -6.953 1.00 1.59 H new ATOM 0 HD22 LEU B 123 7.718 -7.488 -8.003 1.00 1.59 H new ATOM 0 HD23 LEU B 123 6.551 -8.824 -7.861 1.00 1.59 H new ATOM 2418 N GLY B 124 10.205 -12.382 -6.773 1.00 1.44 N ATOM 2419 CA GLY B 124 11.353 -13.208 -7.112 1.00 1.48 C ATOM 2420 C GLY B 124 10.985 -14.464 -7.879 1.00 1.77 C ATOM 2421 O GLY B 124 11.316 -14.594 -9.058 1.00 2.49 O ATOM 0 H GLY B 124 9.979 -12.355 -5.779 1.00 1.44 H new ATOM 0 HA2 GLY B 124 12.052 -12.620 -7.707 1.00 1.48 H new ATOM 0 HA3 GLY B 124 11.872 -13.489 -6.196 1.00 1.48 H new ATOM 2425 N LEU B 125 10.311 -15.390 -7.199 1.00 1.39 N ATOM 2426 CA LEU B 125 9.888 -16.656 -7.792 1.00 1.59 C ATOM 2427 C LEU B 125 11.095 -17.508 -8.190 1.00 1.56 C ATOM 2428 O LEU B 125 11.664 -18.212 -7.352 1.00 1.53 O ATOM 2429 CB LEU B 125 8.958 -16.424 -8.990 1.00 1.94 C ATOM 2430 CG LEU B 125 7.513 -16.088 -8.620 1.00 1.48 C ATOM 2431 CD1 LEU B 125 6.860 -15.260 -9.713 1.00 1.69 C ATOM 2432 CD2 LEU B 125 6.717 -17.359 -8.373 1.00 1.63 C ATOM 0 H LEU B 125 10.043 -15.283 -6.221 1.00 1.39 H new ATOM 0 HA LEU B 125 9.326 -17.205 -7.036 1.00 1.59 H new ATOM 0 HB2 LEU B 125 9.362 -15.612 -9.595 1.00 1.94 H new ATOM 0 HB3 LEU B 125 8.961 -17.318 -9.614 1.00 1.94 H new ATOM 0 HG LEU B 125 7.523 -15.501 -7.702 1.00 1.48 H new ATOM 0 HD11 LEU B 125 5.832 -15.031 -9.431 1.00 1.69 H new ATOM 0 HD12 LEU B 125 7.415 -14.331 -9.847 1.00 1.69 H new ATOM 0 HD13 LEU B 125 6.863 -15.822 -10.647 1.00 1.69 H new ATOM 0 HD21 LEU B 125 5.691 -17.101 -8.111 1.00 1.63 H new ATOM 0 HD22 LEU B 125 6.718 -17.970 -9.276 1.00 1.63 H new ATOM 0 HD23 LEU B 125 7.170 -17.919 -7.555 1.00 1.63 H new ATOM 2444 N GLY B 126 11.502 -17.423 -9.451 1.00 2.19 N ATOM 2445 CA GLY B 126 12.635 -18.201 -9.918 1.00 2.27 C ATOM 2446 C GLY B 126 12.291 -19.668 -10.095 1.00 2.45 C ATOM 2447 O GLY B 126 13.099 -20.550 -9.798 1.00 2.74 O ATOM 0 H GLY B 126 11.068 -16.830 -10.158 1.00 2.19 H new ATOM 0 HA2 GLY B 126 12.986 -17.795 -10.867 1.00 2.27 H new ATOM 0 HA3 GLY B 126 13.456 -18.106 -9.208 1.00 2.27 H new ATOM 2451 N ASN B 127 11.086 -19.929 -10.574 1.00 2.74 N ATOM 2452 CA ASN B 127 10.618 -21.293 -10.791 1.00 3.06 C ATOM 2453 C ASN B 127 10.510 -21.591 -12.284 1.00 4.10 C ATOM 2454 O ASN B 127 10.246 -20.689 -13.079 1.00 4.81 O ATOM 2455 CB ASN B 127 9.253 -21.509 -10.121 1.00 3.42 C ATOM 2456 CG ASN B 127 8.148 -20.667 -10.741 1.00 4.44 C ATOM 2457 OD1 ASN B 127 8.326 -19.476 -11.005 1.00 4.51 O ATOM 2458 ND2 ASN B 127 6.999 -21.281 -10.980 1.00 5.34 N ATOM 0 H ASN B 127 10.407 -19.209 -10.823 1.00 2.74 H new ATOM 0 HA ASN B 127 11.343 -21.974 -10.345 1.00 3.06 H new ATOM 0 HB2 ASN B 127 8.982 -22.563 -10.191 1.00 3.42 H new ATOM 0 HB3 ASN B 127 9.333 -21.270 -9.060 1.00 3.42 H new ATOM 0 HD21 ASN B 127 6.223 -20.767 -11.397 1.00 5.34 H new ATOM 0 HD22 ASN B 127 6.890 -22.268 -10.747 1.00 5.34 H new ATOM 2465 N PRO B 128 10.747 -22.850 -12.688 1.00 4.39 N ATOM 2466 CA PRO B 128 10.656 -23.261 -14.094 1.00 5.57 C ATOM 2467 C PRO B 128 9.231 -23.156 -14.633 1.00 6.29 C ATOM 2468 O PRO B 128 8.307 -23.665 -13.969 1.00 6.27 O ATOM 2469 CB PRO B 128 11.114 -24.725 -14.083 1.00 5.65 C ATOM 2470 CG PRO B 128 11.816 -24.908 -12.780 1.00 4.63 C ATOM 2471 CD PRO B 128 11.144 -23.971 -11.822 1.00 3.74 C ATOM 2472 OXT PRO B 128 9.043 -22.568 -15.717 1.00 7.06 O ATOM 0 HA PRO B 128 11.260 -22.623 -14.739 1.00 5.57 H new ATOM 0 HB2 PRO B 128 10.265 -25.403 -14.171 1.00 5.65 H new ATOM 0 HB3 PRO B 128 11.779 -24.935 -14.921 1.00 5.65 H new ATOM 0 HG2 PRO B 128 11.741 -25.940 -12.436 1.00 4.63 H new ATOM 0 HG3 PRO B 128 12.878 -24.679 -12.872 1.00 4.63 H new ATOM 0 HD2 PRO B 128 10.283 -24.434 -11.340 1.00 3.74 H new ATOM 0 HD3 PRO B 128 11.819 -23.650 -11.029 1.00 3.74 H new TER 2480 PRO B 128