USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 903 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 123 ASN : amide:sc= -5.87! C(o=-8.5!,f=-8.1!) USER MOD Set 1.2: B 126 GLN : amide:sc= -2.96! C(o=-8.5!,f=-13!) USER MOD Set 1.3: B 155 GLN : amide:sc= 0.298 X(o=-8.5,f=-8.9) USER MOD Set 2.1: B 121 ASN : amide:sc= -2.48 K(o=-4.4,f=-4.9!) USER MOD Set 2.2: B 152 ASN : amide:sc= -1.88 K(o=-4.4,f=-3.1) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.103 K(o=-0.93,f=-3.4!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.826 K(o=-0.93,f=-0.13) USER MOD Set 4.1: A 23 ASN : amide:sc= -3.34 K(o=-5,f=-8.9!) USER MOD Set 4.2: A 55 GLN : amide:sc= -1.64 K(o=-5,f=-4.5) USER MOD Set 5.1: A 18 HIS : no HE2:sc= -0.132 K(o=-1.1,f=-3.2) USER MOD Set 5.2: B 110 GLN : amide:sc= -0.964 K(o=-1.1,f=-0.58) USER MOD Set 6.1: A 3 ASN : amide:sc= -2.22! K(o=-2.3!,f=-0.53) USER MOD Set 6.2: A 35 LYS NZ :NH3+ -120:sc= -0.0433 (180deg=-0.11) USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.109 (180deg=-0.617) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0499 (180deg=-0.275) USER MOD Single : A 6 ASN : amide:sc= -4.01! K(o=-4!,f=-0.55) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.123 (180deg=-0.432) USER MOD Single : A 9 GLN : amide:sc= -4.87! C(o=-4.9!,f=-6.2!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 11 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.6) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.922 USER MOD Single : A 21 ASN : amide:sc= -0.44 K(o=-0.44,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -2.62! C(o=-2.6!,f=-6.5!) USER MOD Single : A 28 ASN : amide:sc= -5.72! K(o=-5.7!,f=-2.5) USER MOD Single : A 32 GLN : amide:sc= -2.61! C(o=-2.6!,f=-2!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.155 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 0.66 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.0449 (180deg=-0.323) USER MOD Single : A 52 ASN : amide:sc= -3.06! C(o=-3.1!,f=-14!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 170:sc= 0 USER MOD Single : B 113 SER OG : rot -30:sc= -0.716 USER MOD Single : B 118 THR OG1 : rot -13:sc= 1.08 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.126 USER MOD Single : B 139 SER OG : rot 180:sc= -0.0103 USER MOD Single : B 140 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.13) USER MOD Single : B 141 SER OG : rot 131:sc= -1.14 USER MOD Single : B 143 ASN : amide:sc= -1.49! K(o=-1.5!,f=0) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 167:sc= -0.0281 (180deg=-0.214) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.133 -18.832 4.023 1.00 6.84 N ATOM 2 CA VAL A 1 -8.588 -17.641 4.724 1.00 6.39 C ATOM 3 C VAL A 1 -7.738 -16.797 3.782 1.00 5.45 C ATOM 4 O VAL A 1 -6.575 -17.111 3.530 1.00 5.57 O ATOM 5 CB VAL A 1 -7.733 -18.049 5.940 1.00 7.06 C ATOM 6 CG1 VAL A 1 -7.299 -16.822 6.729 1.00 7.37 C ATOM 7 CG2 VAL A 1 -8.497 -19.020 6.829 1.00 7.36 C ATOM 0 H1 VAL A 1 -9.921 -19.229 4.574 1.00 6.84 H new ATOM 0 H2 VAL A 1 -9.474 -18.554 3.081 1.00 6.84 H new ATOM 0 H3 VAL A 1 -8.386 -19.548 3.923 1.00 6.84 H new ATOM 0 HA VAL A 1 -9.440 -17.055 5.068 1.00 6.39 H new ATOM 0 HB VAL A 1 -6.837 -18.552 5.576 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -6.697 -17.133 7.583 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -6.709 -16.167 6.088 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -8.180 -16.286 7.082 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -7.878 -19.297 7.682 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -9.412 -18.546 7.184 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -8.749 -19.914 6.259 1.00 7.36 H new ATOM 19 N ASP A 2 -8.328 -15.726 3.260 1.00 4.87 N ATOM 20 CA ASP A 2 -7.626 -14.836 2.343 1.00 4.23 C ATOM 21 C ASP A 2 -8.210 -13.427 2.394 1.00 3.33 C ATOM 22 O ASP A 2 -9.386 -13.242 2.708 1.00 3.72 O ATOM 23 CB ASP A 2 -7.702 -15.380 0.915 1.00 5.03 C ATOM 24 CG ASP A 2 -9.130 -15.510 0.420 1.00 5.73 C ATOM 25 OD1 ASP A 2 -9.663 -14.518 -0.123 1.00 6.07 O ATOM 26 OD2 ASP A 2 -9.715 -16.602 0.571 1.00 6.23 O ATOM 0 H ASP A 2 -9.291 -15.454 3.457 1.00 4.87 H new ATOM 0 HA ASP A 2 -6.582 -14.787 2.653 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -7.148 -14.720 0.248 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -7.216 -16.355 0.874 1.00 5.03 H new ATOM 31 N ASN A 3 -7.375 -12.437 2.084 1.00 2.66 N ATOM 32 CA ASN A 3 -7.796 -11.039 2.085 1.00 2.31 C ATOM 33 C ASN A 3 -8.336 -10.619 3.450 1.00 1.47 C ATOM 34 O ASN A 3 -9.010 -9.595 3.571 1.00 2.12 O ATOM 35 CB ASN A 3 -8.858 -10.807 1.013 1.00 2.82 C ATOM 36 CG ASN A 3 -8.932 -9.356 0.584 1.00 3.16 C ATOM 37 OD1 ASN A 3 -10.003 -8.848 0.248 1.00 3.78 O ATOM 38 ND2 ASN A 3 -7.788 -8.684 0.586 1.00 3.18 N ATOM 0 H ASN A 3 -6.398 -12.579 1.828 1.00 2.66 H new ATOM 0 HA ASN A 3 -6.920 -10.428 1.865 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -8.638 -11.430 0.146 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -9.830 -11.122 1.393 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -7.771 -7.705 0.301 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -6.925 -9.147 0.872 1.00 3.18 H new ATOM 45 N LYS A 4 -8.039 -11.412 4.471 1.00 0.80 N ATOM 46 CA LYS A 4 -8.495 -11.119 5.825 1.00 1.31 C ATOM 47 C LYS A 4 -7.667 -9.999 6.451 1.00 1.28 C ATOM 48 O LYS A 4 -8.026 -9.459 7.499 1.00 2.13 O ATOM 49 CB LYS A 4 -8.411 -12.374 6.694 1.00 2.13 C ATOM 50 CG LYS A 4 -9.276 -13.522 6.195 1.00 2.28 C ATOM 51 CD LYS A 4 -10.759 -13.194 6.292 1.00 3.10 C ATOM 52 CE LYS A 4 -11.218 -13.093 7.737 1.00 3.72 C ATOM 53 NZ LYS A 4 -11.088 -14.393 8.453 1.00 4.09 N ATOM 0 H LYS A 4 -7.484 -12.264 4.388 1.00 0.80 H new ATOM 0 HA LYS A 4 -9.533 -10.790 5.768 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -7.374 -12.705 6.739 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -8.709 -12.121 7.711 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -9.020 -13.747 5.160 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -9.063 -14.418 6.778 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -10.958 -12.252 5.780 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -11.336 -13.963 5.780 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -10.630 -12.334 8.253 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -12.257 -12.765 7.766 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -11.649 -14.365 9.329 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -11.436 -15.161 7.844 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -10.089 -14.562 8.687 1.00 4.09 H new ATOM 67 N PHE A 5 -6.557 -9.663 5.800 1.00 0.53 N ATOM 68 CA PHE A 5 -5.664 -8.611 6.282 1.00 0.42 C ATOM 69 C PHE A 5 -5.141 -8.945 7.675 1.00 0.40 C ATOM 70 O PHE A 5 -5.369 -8.204 8.632 1.00 0.49 O ATOM 71 CB PHE A 5 -6.380 -7.258 6.297 1.00 0.34 C ATOM 72 CG PHE A 5 -6.989 -6.886 4.975 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.187 -6.649 3.869 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.363 -6.773 4.841 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.747 -6.307 2.652 1.00 0.40 C ATOM 76 CE2 PHE A 5 -8.928 -6.432 3.627 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.120 -6.198 2.532 1.00 0.40 C ATOM 0 H PHE A 5 -6.252 -10.106 4.933 1.00 0.53 H new ATOM 0 HA PHE A 5 -4.817 -8.548 5.599 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.163 -7.279 7.055 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.671 -6.484 6.592 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.114 -6.732 3.959 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.000 -6.953 5.695 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.113 -6.125 1.797 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.001 -6.349 3.535 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.560 -5.930 1.583 1.00 0.40 H new ATOM 87 N ASN A 6 -4.435 -10.067 7.777 1.00 0.35 N ATOM 88 CA ASN A 6 -3.880 -10.511 9.049 1.00 0.37 C ATOM 89 C ASN A 6 -2.783 -9.570 9.537 1.00 0.37 C ATOM 90 O ASN A 6 -2.591 -8.484 8.990 1.00 0.36 O ATOM 91 CB ASN A 6 -3.325 -11.932 8.919 1.00 0.36 C ATOM 92 CG ASN A 6 -4.416 -12.982 8.818 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.246 -14.113 9.275 1.00 1.73 O ATOM 94 ND2 ASN A 6 -5.543 -12.619 8.215 1.00 1.69 N ATOM 0 H ASN A 6 -4.234 -10.686 6.991 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.686 -10.503 9.783 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.689 -11.989 8.036 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.695 -12.151 9.781 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -6.307 -13.287 8.117 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -5.644 -11.672 7.850 1.00 1.69 H new ATOM 101 N LYS A 7 -2.069 -9.998 10.572 1.00 0.40 N ATOM 102 CA LYS A 7 -0.990 -9.201 11.145 1.00 0.43 C ATOM 103 C LYS A 7 0.160 -9.053 10.154 1.00 0.40 C ATOM 104 O LYS A 7 0.545 -7.939 9.802 1.00 0.38 O ATOM 105 CB LYS A 7 -0.489 -9.845 12.441 1.00 0.52 C ATOM 106 CG LYS A 7 0.700 -9.129 13.068 1.00 0.58 C ATOM 107 CD LYS A 7 0.318 -7.753 13.598 1.00 0.60 C ATOM 108 CE LYS A 7 -0.666 -7.849 14.754 1.00 1.39 C ATOM 109 NZ LYS A 7 -0.151 -8.715 15.851 1.00 1.90 N ATOM 0 H LYS A 7 -2.218 -10.896 11.033 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.380 -8.208 11.369 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.306 -9.870 13.162 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.211 -10.879 12.237 1.00 0.52 H new ATOM 0 HG2 LYS A 7 1.100 -9.734 13.882 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.493 -9.026 12.328 1.00 0.58 H new ATOM 0 HD2 LYS A 7 1.215 -7.228 13.926 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.121 -7.162 12.794 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -0.867 -6.851 15.143 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -1.614 -8.247 14.392 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -0.704 -8.546 16.716 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.238 -9.714 15.575 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 0.849 -8.491 16.030 1.00 1.90 H new ATOM 123 N GLU A 8 0.706 -10.183 9.710 1.00 0.43 N ATOM 124 CA GLU A 8 1.811 -10.175 8.757 1.00 0.43 C ATOM 125 C GLU A 8 1.428 -9.418 7.492 1.00 0.37 C ATOM 126 O GLU A 8 2.268 -8.777 6.862 1.00 0.39 O ATOM 127 CB GLU A 8 2.227 -11.603 8.395 1.00 0.47 C ATOM 128 CG GLU A 8 2.660 -12.444 9.586 1.00 0.52 C ATOM 129 CD GLU A 8 1.490 -12.905 10.434 1.00 1.03 C ATOM 130 OE1 GLU A 8 0.777 -13.836 10.005 1.00 0.95 O ATOM 131 OE2 GLU A 8 1.288 -12.334 11.526 1.00 1.80 O ATOM 0 H GLU A 8 0.401 -11.114 9.995 1.00 0.43 H new ATOM 0 HA GLU A 8 2.653 -9.670 9.230 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.393 -12.098 7.898 1.00 0.47 H new ATOM 0 HB3 GLU A 8 3.046 -11.561 7.677 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.210 -13.315 9.230 1.00 0.52 H new ATOM 0 HG3 GLU A 8 3.346 -11.865 10.204 1.00 0.52 H new ATOM 138 N GLN A 9 0.154 -9.501 7.121 1.00 0.34 N ATOM 139 CA GLN A 9 -0.340 -8.821 5.933 1.00 0.33 C ATOM 140 C GLN A 9 -0.316 -7.309 6.136 1.00 0.30 C ATOM 141 O GLN A 9 -0.142 -6.545 5.187 1.00 0.32 O ATOM 142 CB GLN A 9 -1.761 -9.286 5.611 1.00 0.36 C ATOM 143 CG GLN A 9 -2.145 -9.099 4.153 1.00 0.38 C ATOM 144 CD GLN A 9 -3.540 -9.608 3.848 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.028 -10.537 4.490 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.186 -9.003 2.860 1.00 0.50 N ATOM 0 H GLN A 9 -0.554 -10.033 7.627 1.00 0.34 H new ATOM 0 HA GLN A 9 0.311 -9.070 5.095 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.857 -10.340 5.871 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.465 -8.737 6.237 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.084 -8.041 3.898 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.426 -9.621 3.522 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.742 -8.236 2.355 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.127 -9.304 2.606 1.00 0.50 H new ATOM 155 N GLN A 10 -0.493 -6.891 7.385 1.00 0.27 N ATOM 156 CA GLN A 10 -0.484 -5.476 7.734 1.00 0.25 C ATOM 157 C GLN A 10 0.946 -4.958 7.820 1.00 0.23 C ATOM 158 O GLN A 10 1.245 -3.850 7.370 1.00 0.26 O ATOM 159 CB GLN A 10 -1.202 -5.259 9.067 1.00 0.26 C ATOM 160 CG GLN A 10 -1.455 -3.797 9.395 1.00 0.26 C ATOM 161 CD GLN A 10 -2.082 -3.608 10.762 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.845 -4.393 11.681 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.891 -2.564 10.903 1.00 0.89 N ATOM 0 H GLN A 10 -0.645 -7.517 8.176 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.008 -4.923 6.955 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.155 -5.787 9.046 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.608 -5.704 9.866 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.513 -3.250 9.352 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.108 -3.366 8.637 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.059 -1.939 10.115 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.344 -2.387 11.800 1.00 0.89 H new ATOM 172 N ASN A 11 1.827 -5.767 8.398 1.00 0.24 N ATOM 173 CA ASN A 11 3.229 -5.397 8.541 1.00 0.23 C ATOM 174 C ASN A 11 3.895 -5.283 7.176 1.00 0.21 C ATOM 175 O ASN A 11 4.615 -4.325 6.905 1.00 0.22 O ATOM 176 CB ASN A 11 3.971 -6.426 9.396 1.00 0.27 C ATOM 177 CG ASN A 11 3.379 -6.563 10.784 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.838 -5.606 11.338 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.480 -7.757 11.355 1.00 0.82 N ATOM 0 H ASN A 11 1.594 -6.685 8.776 1.00 0.24 H new ATOM 0 HA ASN A 11 3.274 -4.427 9.037 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.946 -7.395 8.897 1.00 0.27 H new ATOM 0 HB3 ASN A 11 5.019 -6.137 9.478 1.00 0.27 H new ATOM 0 HD21 ASN A 11 3.101 -7.909 12.290 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.937 -8.522 10.859 1.00 0.82 H new ATOM 186 N ALA A 12 3.644 -6.268 6.318 1.00 0.19 N ATOM 187 CA ALA A 12 4.219 -6.285 4.979 1.00 0.18 C ATOM 188 C ALA A 12 3.879 -5.011 4.216 1.00 0.15 C ATOM 189 O ALA A 12 4.729 -4.436 3.539 1.00 0.20 O ATOM 190 CB ALA A 12 3.733 -7.507 4.214 1.00 0.22 C ATOM 0 H ALA A 12 3.045 -7.066 6.528 1.00 0.19 H new ATOM 0 HA ALA A 12 5.303 -6.337 5.077 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.169 -7.508 3.215 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.035 -8.411 4.743 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.646 -7.478 4.135 1.00 0.22 H new ATOM 196 N PHE A 13 2.629 -4.577 4.332 1.00 0.13 N ATOM 197 CA PHE A 13 2.169 -3.366 3.659 1.00 0.11 C ATOM 198 C PHE A 13 3.035 -2.170 4.044 1.00 0.11 C ATOM 199 O PHE A 13 3.667 -1.547 3.191 1.00 0.15 O ATOM 200 CB PHE A 13 0.705 -3.096 4.023 1.00 0.14 C ATOM 201 CG PHE A 13 0.174 -1.790 3.500 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.307 -1.694 2.203 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.160 -0.660 4.301 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.791 -0.495 1.717 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.323 0.541 3.819 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.815 0.622 2.540 1.00 0.11 C ATOM 0 H PHE A 13 1.914 -5.047 4.887 1.00 0.13 H new ATOM 0 HA PHE A 13 2.251 -3.514 2.582 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.090 -3.908 3.635 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.603 -3.109 5.108 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.303 -2.566 1.566 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.531 -0.719 5.314 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.149 -0.427 0.700 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.314 1.418 4.449 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.220 1.554 2.175 1.00 0.11 H new ATOM 216 N TYR A 14 3.065 -1.865 5.337 1.00 0.11 N ATOM 217 CA TYR A 14 3.842 -0.741 5.847 1.00 0.13 C ATOM 218 C TYR A 14 5.322 -0.862 5.491 1.00 0.13 C ATOM 219 O TYR A 14 5.917 0.078 4.967 1.00 0.17 O ATOM 220 CB TYR A 14 3.679 -0.636 7.363 1.00 0.16 C ATOM 221 CG TYR A 14 2.280 -0.256 7.799 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.705 0.943 7.395 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.534 -1.100 8.610 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.426 1.289 7.787 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.255 -0.761 9.007 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.286 0.448 8.605 1.00 0.33 C ATOM 227 OH TYR A 14 -1.568 0.773 8.982 1.00 0.42 O ATOM 0 H TYR A 14 2.558 -2.383 6.054 1.00 0.11 H new ATOM 0 HA TYR A 14 3.460 0.163 5.373 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.944 -1.592 7.815 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.383 0.104 7.745 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.267 1.616 6.764 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.960 -2.037 8.936 1.00 0.26 H new ATOM 0 HE1 TYR A 14 -0.012 2.217 7.451 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.319 -1.434 9.627 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.927 0.068 9.560 1.00 0.42 H new ATOM 237 N GLU A 15 5.912 -2.017 5.788 1.00 0.11 N ATOM 238 CA GLU A 15 7.327 -2.254 5.505 1.00 0.12 C ATOM 239 C GLU A 15 7.662 -1.909 4.057 1.00 0.12 C ATOM 240 O GLU A 15 8.758 -1.431 3.761 1.00 0.19 O ATOM 241 CB GLU A 15 7.687 -3.713 5.790 1.00 0.13 C ATOM 242 CG GLU A 15 7.608 -4.086 7.261 1.00 0.19 C ATOM 243 CD GLU A 15 8.651 -3.372 8.099 1.00 1.16 C ATOM 244 OE1 GLU A 15 8.409 -2.208 8.482 1.00 2.16 O ATOM 245 OE2 GLU A 15 9.709 -3.977 8.371 1.00 1.08 O ATOM 0 H GLU A 15 5.433 -2.804 6.225 1.00 0.11 H new ATOM 0 HA GLU A 15 7.914 -1.606 6.156 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.017 -4.360 5.224 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.697 -3.906 5.429 1.00 0.13 H new ATOM 0 HG2 GLU A 15 6.615 -3.845 7.641 1.00 0.19 H new ATOM 0 HG3 GLU A 15 7.737 -5.163 7.367 1.00 0.19 H new ATOM 252 N ILE A 16 6.714 -2.156 3.161 1.00 0.10 N ATOM 253 CA ILE A 16 6.905 -1.867 1.745 1.00 0.09 C ATOM 254 C ILE A 16 6.868 -0.362 1.485 1.00 0.12 C ATOM 255 O ILE A 16 7.579 0.146 0.617 1.00 0.16 O ATOM 256 CB ILE A 16 5.836 -2.579 0.886 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.097 -4.088 0.870 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.820 -2.025 -0.532 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.992 -4.892 0.220 1.00 0.14 C ATOM 0 H ILE A 16 5.804 -2.556 3.390 1.00 0.10 H new ATOM 0 HA ILE A 16 7.887 -2.245 1.461 1.00 0.09 H new ATOM 0 HB ILE A 16 4.857 -2.394 1.329 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.032 -4.280 0.343 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.232 -4.435 1.895 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.059 -2.543 -1.116 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.593 -0.959 -0.504 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.796 -2.176 -0.993 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.249 -5.951 0.247 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.059 -4.731 0.760 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.871 -4.574 -0.816 1.00 0.14 H new ATOM 271 N LEU A 17 6.037 0.349 2.243 1.00 0.14 N ATOM 272 CA LEU A 17 5.916 1.795 2.097 1.00 0.19 C ATOM 273 C LEU A 17 7.142 2.511 2.665 1.00 0.18 C ATOM 274 O LEU A 17 7.553 3.554 2.158 1.00 0.26 O ATOM 275 CB LEU A 17 4.660 2.300 2.807 1.00 0.27 C ATOM 276 CG LEU A 17 3.393 2.317 1.953 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.756 0.938 1.903 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.414 3.345 2.492 1.00 0.77 C ATOM 0 H LEU A 17 5.438 -0.053 2.964 1.00 0.14 H new ATOM 0 HA LEU A 17 5.844 2.015 1.032 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.481 1.676 3.682 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.848 3.311 3.170 1.00 0.27 H new ATOM 0 HG LEU A 17 3.664 2.596 0.935 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.856 0.975 1.289 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.461 0.227 1.471 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.494 0.621 2.913 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.515 3.349 1.876 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.150 3.092 3.519 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.874 4.333 2.469 1.00 0.77 H new ATOM 290 N HIS A 18 7.720 1.938 3.718 1.00 0.16 N ATOM 291 CA HIS A 18 8.888 2.525 4.373 1.00 0.16 C ATOM 292 C HIS A 18 10.118 2.517 3.470 1.00 0.13 C ATOM 293 O HIS A 18 10.997 3.368 3.608 1.00 0.15 O ATOM 294 CB HIS A 18 9.194 1.781 5.674 1.00 0.17 C ATOM 295 CG HIS A 18 8.302 2.170 6.813 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.781 2.521 8.057 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.953 2.265 6.891 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.768 2.814 8.852 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.648 2.667 8.169 1.00 0.33 N ATOM 0 H HIS A 18 7.398 1.066 4.137 1.00 0.16 H new ATOM 0 HA HIS A 18 8.647 3.565 4.593 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.100 0.709 5.500 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.230 1.969 5.955 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.765 2.550 8.322 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.249 2.063 6.097 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.843 3.121 9.885 1.00 0.60 H new ATOM 308 N LEU A 19 10.184 1.554 2.553 1.00 0.14 N ATOM 309 CA LEU A 19 11.319 1.450 1.639 1.00 0.14 C ATOM 310 C LEU A 19 11.580 2.788 0.942 1.00 0.16 C ATOM 311 O LEU A 19 10.775 3.235 0.126 1.00 0.18 O ATOM 312 CB LEU A 19 11.070 0.351 0.603 1.00 0.12 C ATOM 313 CG LEU A 19 10.929 -1.060 1.180 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.695 -2.069 0.068 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.166 -1.435 1.987 1.00 0.12 C ATOM 0 H LEU A 19 9.469 0.838 2.423 1.00 0.14 H new ATOM 0 HA LEU A 19 12.203 1.189 2.221 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.163 0.593 0.049 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.892 0.354 -0.113 1.00 0.12 H new ATOM 0 HG LEU A 19 10.066 -1.073 1.846 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.597 -3.066 0.496 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.781 -1.813 -0.469 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.538 -2.052 -0.622 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.047 -2.441 2.389 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.044 -1.403 1.342 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.293 -0.729 2.808 1.00 0.12 H new ATOM 327 N PRO A 20 12.718 3.445 1.254 1.00 0.18 N ATOM 328 CA PRO A 20 13.068 4.741 0.668 1.00 0.21 C ATOM 329 C PRO A 20 13.692 4.620 -0.719 1.00 0.21 C ATOM 330 O PRO A 20 13.332 5.355 -1.639 1.00 0.23 O ATOM 331 CB PRO A 20 14.088 5.291 1.662 1.00 0.24 C ATOM 332 CG PRO A 20 14.783 4.080 2.184 1.00 0.22 C ATOM 333 CD PRO A 20 13.757 2.975 2.196 1.00 0.19 C ATOM 0 HA PRO A 20 12.192 5.372 0.520 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.787 5.973 1.178 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.602 5.848 2.464 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.631 3.816 1.552 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.175 4.258 3.186 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.188 2.026 1.875 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.350 2.819 3.195 1.00 0.19 H new ATOM 341 N ASN A 21 14.629 3.686 -0.865 1.00 0.20 N ATOM 342 CA ASN A 21 15.310 3.478 -2.137 1.00 0.21 C ATOM 343 C ASN A 21 14.341 2.979 -3.202 1.00 0.20 C ATOM 344 O ASN A 21 14.585 3.138 -4.397 1.00 0.23 O ATOM 345 CB ASN A 21 16.459 2.483 -1.964 1.00 0.21 C ATOM 346 CG ASN A 21 17.435 2.906 -0.883 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.637 4.097 -0.644 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.045 1.930 -0.222 1.00 0.26 N ATOM 0 H ASN A 21 14.933 3.062 -0.117 1.00 0.20 H new ATOM 0 HA ASN A 21 15.714 4.436 -2.466 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.052 1.502 -1.718 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.991 2.379 -2.910 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.711 2.154 0.517 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.847 0.956 -0.453 1.00 0.26 H new ATOM 355 N LEU A 22 13.243 2.378 -2.760 1.00 0.18 N ATOM 356 CA LEU A 22 12.238 1.854 -3.676 1.00 0.17 C ATOM 357 C LEU A 22 11.354 2.980 -4.202 1.00 0.20 C ATOM 358 O LEU A 22 11.003 3.900 -3.463 1.00 0.26 O ATOM 359 CB LEU A 22 11.378 0.799 -2.975 1.00 0.17 C ATOM 360 CG LEU A 22 10.590 -0.120 -3.909 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.535 -1.014 -4.696 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.596 -0.956 -3.119 1.00 0.26 C ATOM 0 H LEU A 22 13.026 2.241 -1.773 1.00 0.18 H new ATOM 0 HA LEU A 22 12.751 1.390 -4.518 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.024 0.186 -2.346 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.677 1.306 -2.312 1.00 0.17 H new ATOM 0 HG LEU A 22 10.034 0.498 -4.614 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.958 -1.662 -5.356 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.208 -0.397 -5.291 1.00 0.29 H new ATOM 0 HD13 LEU A 22 12.117 -1.625 -4.006 1.00 0.29 H new ATOM 0 HD21 LEU A 22 9.044 -1.604 -3.800 1.00 0.26 H new ATOM 0 HD22 LEU A 22 10.131 -1.566 -2.391 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.899 -0.298 -2.599 1.00 0.26 H new ATOM 374 N ASN A 23 11.001 2.902 -5.480 1.00 0.22 N ATOM 375 CA ASN A 23 10.159 3.918 -6.101 1.00 0.27 C ATOM 376 C ASN A 23 8.705 3.466 -6.153 1.00 0.24 C ATOM 377 O ASN A 23 8.404 2.295 -5.928 1.00 0.29 O ATOM 378 CB ASN A 23 10.662 4.238 -7.510 1.00 0.33 C ATOM 379 CG ASN A 23 10.971 2.989 -8.309 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.101 2.437 -8.981 1.00 1.59 O ATOM 381 ND2 ASN A 23 12.217 2.536 -8.240 1.00 1.33 N ATOM 0 H ASN A 23 11.284 2.147 -6.105 1.00 0.22 H new ATOM 0 HA ASN A 23 10.215 4.820 -5.492 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.911 4.826 -8.036 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.559 4.854 -7.442 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.485 1.698 -8.757 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.907 3.026 -7.670 1.00 1.33 H new ATOM 388 N GLU A 24 7.807 4.398 -6.452 1.00 0.29 N ATOM 389 CA GLU A 24 6.382 4.091 -6.526 1.00 0.29 C ATOM 390 C GLU A 24 6.092 3.076 -7.627 1.00 0.24 C ATOM 391 O GLU A 24 5.186 2.256 -7.498 1.00 0.22 O ATOM 392 CB GLU A 24 5.570 5.365 -6.773 1.00 0.36 C ATOM 393 CG GLU A 24 5.501 6.292 -5.569 1.00 1.23 C ATOM 394 CD GLU A 24 6.858 6.842 -5.175 1.00 1.42 C ATOM 395 OE1 GLU A 24 7.247 7.902 -5.711 1.00 1.25 O ATOM 396 OE2 GLU A 24 7.532 6.212 -4.333 1.00 2.17 O ATOM 0 H GLU A 24 8.039 5.372 -6.647 1.00 0.29 H new ATOM 0 HA GLU A 24 6.088 3.658 -5.570 1.00 0.29 H new ATOM 0 HB2 GLU A 24 6.007 5.906 -7.612 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.557 5.088 -7.065 1.00 0.36 H new ATOM 0 HG2 GLU A 24 4.829 7.120 -5.792 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.073 5.752 -4.724 1.00 1.23 H new ATOM 403 N GLU A 25 6.860 3.134 -8.709 1.00 0.27 N ATOM 404 CA GLU A 25 6.666 2.217 -9.826 1.00 0.28 C ATOM 405 C GLU A 25 6.828 0.768 -9.377 1.00 0.24 C ATOM 406 O GLU A 25 6.070 -0.109 -9.791 1.00 0.30 O ATOM 407 CB GLU A 25 7.651 2.530 -10.954 1.00 0.36 C ATOM 408 CG GLU A 25 7.587 3.970 -11.436 1.00 0.91 C ATOM 409 CD GLU A 25 6.203 4.366 -11.912 1.00 1.60 C ATOM 410 OE1 GLU A 25 5.824 3.963 -13.032 1.00 2.00 O ATOM 411 OE2 GLU A 25 5.501 5.081 -11.167 1.00 2.20 O ATOM 0 H GLU A 25 7.619 3.803 -8.836 1.00 0.27 H new ATOM 0 HA GLU A 25 5.650 2.351 -10.198 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.663 2.315 -10.611 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.451 1.865 -11.794 1.00 0.36 H new ATOM 0 HG2 GLU A 25 7.892 4.634 -10.627 1.00 0.91 H new ATOM 0 HG3 GLU A 25 8.300 4.109 -12.249 1.00 0.91 H new ATOM 418 N GLN A 26 7.819 0.525 -8.526 1.00 0.18 N ATOM 419 CA GLN A 26 8.076 -0.817 -8.016 1.00 0.15 C ATOM 420 C GLN A 26 7.115 -1.149 -6.881 1.00 0.13 C ATOM 421 O GLN A 26 6.476 -2.202 -6.882 1.00 0.16 O ATOM 422 CB GLN A 26 9.521 -0.930 -7.525 1.00 0.15 C ATOM 423 CG GLN A 26 10.559 -0.684 -8.610 1.00 0.19 C ATOM 424 CD GLN A 26 10.676 -1.833 -9.588 1.00 1.03 C ATOM 425 OE1 GLN A 26 9.715 -2.563 -9.831 1.00 2.00 O ATOM 426 NE2 GLN A 26 11.861 -1.995 -10.158 1.00 1.59 N ATOM 0 H GLN A 26 8.457 1.239 -8.175 1.00 0.18 H new ATOM 0 HA GLN A 26 7.920 -1.529 -8.827 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.677 -0.215 -6.717 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.676 -1.924 -7.106 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.299 0.224 -9.154 1.00 0.19 H new ATOM 0 HG3 GLN A 26 11.529 -0.510 -8.144 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.629 -1.365 -9.926 1.00 1.59 H new ATOM 0 HE22 GLN A 26 12.005 -2.750 -10.829 1.00 1.59 H new ATOM 435 N ARG A 27 7.021 -0.238 -5.917 1.00 0.13 N ATOM 436 CA ARG A 27 6.142 -0.415 -4.767 1.00 0.13 C ATOM 437 C ARG A 27 4.716 -0.742 -5.205 1.00 0.14 C ATOM 438 O ARG A 27 4.056 -1.595 -4.615 1.00 0.23 O ATOM 439 CB ARG A 27 6.143 0.852 -3.911 1.00 0.14 C ATOM 440 CG ARG A 27 5.369 0.707 -2.613 1.00 0.18 C ATOM 441 CD ARG A 27 4.440 1.887 -2.389 1.00 0.41 C ATOM 442 NE ARG A 27 3.293 1.853 -3.292 1.00 1.59 N ATOM 443 CZ ARG A 27 2.439 2.861 -3.442 1.00 1.94 C ATOM 444 NH1 ARG A 27 2.630 3.999 -2.793 1.00 1.37 N ATOM 445 NH2 ARG A 27 1.395 2.730 -4.251 1.00 3.04 N ATOM 0 H ARG A 27 7.547 0.636 -5.911 1.00 0.13 H new ATOM 0 HA ARG A 27 6.518 -1.253 -4.180 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.173 1.125 -3.682 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.717 1.672 -4.489 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.789 -0.216 -2.634 1.00 0.18 H new ATOM 0 HG3 ARG A 27 6.066 0.627 -1.779 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.090 1.883 -1.357 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.991 2.816 -2.536 1.00 0.41 H new ATOM 0 HE ARG A 27 3.138 1.007 -3.840 1.00 1.59 H new ATOM 0 HH11 ARG A 27 3.435 4.105 -2.175 1.00 1.37 H new ATOM 0 HH12 ARG A 27 1.973 4.770 -2.911 1.00 1.37 H new ATOM 0 HH21 ARG A 27 1.248 1.857 -4.757 1.00 3.04 H new ATOM 0 HH22 ARG A 27 0.739 3.503 -4.367 1.00 3.04 H new ATOM 459 N ASN A 28 4.249 -0.054 -6.243 1.00 0.13 N ATOM 460 CA ASN A 28 2.902 -0.267 -6.764 1.00 0.15 C ATOM 461 C ASN A 28 2.707 -1.714 -7.202 1.00 0.15 C ATOM 462 O ASN A 28 1.638 -2.291 -7.008 1.00 0.21 O ATOM 463 CB ASN A 28 2.621 0.670 -7.943 1.00 0.19 C ATOM 464 CG ASN A 28 2.196 2.058 -7.501 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.316 2.671 -8.105 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.834 2.568 -6.455 1.00 0.19 N ATOM 0 H ASN A 28 4.785 0.657 -6.741 1.00 0.13 H new ATOM 0 HA ASN A 28 2.200 -0.047 -5.960 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.516 0.748 -8.561 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.839 0.237 -8.567 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.601 3.504 -6.122 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.557 2.024 -5.984 1.00 0.19 H new ATOM 473 N ALA A 29 3.746 -2.294 -7.793 1.00 0.12 N ATOM 474 CA ALA A 29 3.685 -3.673 -8.259 1.00 0.12 C ATOM 475 C ALA A 29 3.547 -4.640 -7.088 1.00 0.11 C ATOM 476 O ALA A 29 2.893 -5.676 -7.203 1.00 0.15 O ATOM 477 CB ALA A 29 4.917 -4.006 -9.083 1.00 0.15 C ATOM 0 H ALA A 29 4.639 -1.831 -7.960 1.00 0.12 H new ATOM 0 HA ALA A 29 2.803 -3.781 -8.890 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.858 -5.039 -9.425 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.969 -3.341 -9.945 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.810 -3.877 -8.471 1.00 0.15 H new ATOM 483 N PHE A 30 4.166 -4.295 -5.963 1.00 0.10 N ATOM 484 CA PHE A 30 4.107 -5.138 -4.772 1.00 0.10 C ATOM 485 C PHE A 30 2.733 -5.054 -4.116 1.00 0.12 C ATOM 486 O PHE A 30 2.115 -6.078 -3.825 1.00 0.18 O ATOM 487 CB PHE A 30 5.198 -4.739 -3.778 1.00 0.12 C ATOM 488 CG PHE A 30 6.587 -5.029 -4.274 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.041 -6.336 -4.377 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.437 -4.000 -4.642 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.316 -6.608 -4.836 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.713 -4.266 -5.101 1.00 0.21 C ATOM 493 CZ PHE A 30 9.153 -5.572 -5.199 1.00 0.20 C ATOM 0 H PHE A 30 4.712 -3.441 -5.850 1.00 0.10 H new ATOM 0 HA PHE A 30 4.277 -6.170 -5.078 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.111 -3.674 -3.562 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.037 -5.269 -2.839 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.390 -7.151 -4.095 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.099 -2.977 -4.569 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.657 -7.630 -4.911 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.366 -3.453 -5.383 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.149 -5.782 -5.559 1.00 0.20 H new ATOM 503 N ILE A 31 2.259 -3.832 -3.881 1.00 0.10 N ATOM 504 CA ILE A 31 0.950 -3.629 -3.271 1.00 0.11 C ATOM 505 C ILE A 31 -0.132 -4.294 -4.117 1.00 0.11 C ATOM 506 O ILE A 31 -1.086 -4.867 -3.589 1.00 0.16 O ATOM 507 CB ILE A 31 0.627 -2.127 -3.099 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.554 -1.504 -2.049 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.833 -1.928 -2.707 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.364 -0.013 -1.870 1.00 0.13 C ATOM 0 H ILE A 31 2.761 -2.972 -4.103 1.00 0.10 H new ATOM 0 HA ILE A 31 0.973 -4.085 -2.281 1.00 0.11 H new ATOM 0 HB ILE A 31 0.792 -1.628 -4.054 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.387 -1.999 -1.092 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.589 -1.697 -2.332 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -1.037 -0.863 -2.592 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.478 -2.339 -3.484 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -1.030 -2.439 -1.765 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.055 0.353 -1.111 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.560 0.495 -2.814 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.340 0.188 -1.555 1.00 0.13 H new ATOM 522 N GLN A 32 0.030 -4.212 -5.434 1.00 0.08 N ATOM 523 CA GLN A 32 -0.912 -4.810 -6.365 1.00 0.09 C ATOM 524 C GLN A 32 -1.051 -6.310 -6.121 1.00 0.11 C ATOM 525 O GLN A 32 -2.162 -6.836 -6.048 1.00 0.19 O ATOM 526 CB GLN A 32 -0.448 -4.565 -7.799 1.00 0.11 C ATOM 527 CG GLN A 32 -1.588 -4.515 -8.795 1.00 0.15 C ATOM 528 CD GLN A 32 -1.123 -4.230 -10.203 1.00 0.29 C ATOM 529 OE1 GLN A 32 -0.748 -5.137 -10.944 1.00 0.82 O ATOM 530 NE2 GLN A 32 -1.163 -2.963 -10.586 1.00 1.04 N ATOM 0 H GLN A 32 0.812 -3.733 -5.880 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.885 -4.345 -6.208 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.103 -3.626 -7.840 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.245 -5.354 -8.090 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.121 -5.466 -8.779 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.298 -3.747 -8.489 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -1.481 -2.244 -9.937 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -0.875 -2.706 -11.530 1.00 1.04 H new ATOM 539 N SER A 33 0.084 -6.992 -5.994 1.00 0.09 N ATOM 540 CA SER A 33 0.092 -8.433 -5.767 1.00 0.11 C ATOM 541 C SER A 33 -0.175 -8.766 -4.301 1.00 0.10 C ATOM 542 O SER A 33 -0.502 -9.904 -3.966 1.00 0.15 O ATOM 543 CB SER A 33 1.432 -9.030 -6.200 1.00 0.13 C ATOM 544 OG SER A 33 1.452 -10.434 -6.000 1.00 1.19 O ATOM 0 H SER A 33 1.011 -6.569 -6.045 1.00 0.09 H new ATOM 0 HA SER A 33 -0.707 -8.869 -6.366 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.611 -8.806 -7.252 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.240 -8.567 -5.634 1.00 0.13 H new ATOM 0 HG SER A 33 2.318 -10.793 -6.286 1.00 1.19 H new ATOM 550 N LEU A 34 -0.033 -7.771 -3.432 1.00 0.10 N ATOM 551 CA LEU A 34 -0.264 -7.965 -2.004 1.00 0.11 C ATOM 552 C LEU A 34 -1.759 -8.015 -1.707 1.00 0.13 C ATOM 553 O LEU A 34 -2.212 -8.775 -0.851 1.00 0.18 O ATOM 554 CB LEU A 34 0.385 -6.830 -1.203 1.00 0.10 C ATOM 555 CG LEU A 34 1.026 -7.240 0.127 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.645 -6.030 0.807 1.00 0.16 C ATOM 557 CD2 LEU A 34 0.006 -7.901 1.044 1.00 0.17 C ATOM 0 H LEU A 34 0.241 -6.823 -3.690 1.00 0.10 H new ATOM 0 HA LEU A 34 0.186 -8.913 -1.709 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.148 -6.361 -1.824 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.372 -6.072 -1.002 1.00 0.10 H new ATOM 0 HG LEU A 34 1.811 -7.966 -0.083 1.00 0.13 H new ATOM 0 HD11 LEU A 34 2.097 -6.335 1.751 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.410 -5.601 0.160 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.872 -5.285 0.998 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.487 -8.182 1.981 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.806 -7.203 1.248 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.395 -8.792 0.560 1.00 0.17 H new ATOM 569 N LYS A 35 -2.518 -7.202 -2.434 1.00 0.15 N ATOM 570 CA LYS A 35 -3.964 -7.131 -2.258 1.00 0.19 C ATOM 571 C LYS A 35 -4.665 -8.287 -2.970 1.00 0.22 C ATOM 572 O LYS A 35 -5.678 -8.798 -2.492 1.00 0.31 O ATOM 573 CB LYS A 35 -4.480 -5.794 -2.793 1.00 0.23 C ATOM 574 CG LYS A 35 -5.979 -5.601 -2.637 1.00 0.23 C ATOM 575 CD LYS A 35 -6.364 -5.395 -1.182 1.00 0.24 C ATOM 576 CE LYS A 35 -7.835 -5.048 -1.040 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.716 -6.198 -1.388 1.00 0.46 N ATOM 0 H LYS A 35 -2.153 -6.580 -3.155 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.186 -7.209 -1.194 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.964 -4.985 -2.276 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.222 -5.713 -3.849 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.300 -4.741 -3.225 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.502 -6.471 -3.034 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.146 -6.300 -0.615 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.758 -4.597 -0.753 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -8.036 -4.734 -0.016 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.072 -4.202 -1.685 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.334 -5.934 -2.182 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.131 -7.014 -1.660 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.299 -6.450 -0.565 1.00 0.46 H new ATOM 591 N ASP A 36 -4.120 -8.693 -4.113 1.00 0.23 N ATOM 592 CA ASP A 36 -4.696 -9.786 -4.891 1.00 0.28 C ATOM 593 C ASP A 36 -4.190 -11.135 -4.392 1.00 0.25 C ATOM 594 O ASP A 36 -4.873 -12.151 -4.512 1.00 0.33 O ATOM 595 CB ASP A 36 -4.354 -9.619 -6.370 1.00 0.34 C ATOM 596 CG ASP A 36 -5.068 -10.629 -7.248 1.00 1.07 C ATOM 597 OD1 ASP A 36 -4.528 -11.739 -7.435 1.00 2.07 O ATOM 598 OD2 ASP A 36 -6.167 -10.309 -7.746 1.00 0.96 O ATOM 0 H ASP A 36 -3.281 -8.282 -4.521 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.779 -9.755 -4.768 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.620 -8.612 -6.690 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -3.277 -9.722 -6.505 1.00 0.34 H new ATOM 603 N ASP A 37 -2.986 -11.130 -3.833 1.00 0.20 N ATOM 604 CA ASP A 37 -2.374 -12.349 -3.313 1.00 0.22 C ATOM 605 C ASP A 37 -1.696 -12.084 -1.969 1.00 0.18 C ATOM 606 O ASP A 37 -0.470 -11.987 -1.892 1.00 0.16 O ATOM 607 CB ASP A 37 -1.359 -12.901 -4.315 1.00 0.27 C ATOM 608 CG ASP A 37 -1.996 -13.265 -5.641 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.488 -14.407 -5.769 1.00 0.91 O ATOM 610 OD2 ASP A 37 -2.003 -12.410 -6.551 1.00 1.29 O ATOM 0 H ASP A 37 -2.412 -10.294 -3.727 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.160 -13.089 -3.162 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.577 -12.160 -4.482 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.877 -13.783 -3.892 1.00 0.27 H new ATOM 615 N PRO A 38 -2.491 -11.959 -0.890 1.00 0.21 N ATOM 616 CA PRO A 38 -1.968 -11.701 0.458 1.00 0.21 C ATOM 617 C PRO A 38 -1.048 -12.814 0.951 1.00 0.21 C ATOM 618 O PRO A 38 -0.310 -12.635 1.920 1.00 0.23 O ATOM 619 CB PRO A 38 -3.227 -11.621 1.328 1.00 0.27 C ATOM 620 CG PRO A 38 -4.281 -12.325 0.545 1.00 0.30 C ATOM 621 CD PRO A 38 -3.960 -12.057 -0.895 1.00 0.26 C ATOM 0 HA PRO A 38 -1.359 -10.797 0.487 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.069 -12.098 2.296 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.506 -10.586 1.524 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.277 -13.395 0.755 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.273 -11.954 0.801 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.309 -12.860 -1.543 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.425 -11.137 -1.249 1.00 0.26 H new ATOM 629 N SER A 39 -1.097 -13.963 0.285 1.00 0.21 N ATOM 630 CA SER A 39 -0.259 -15.097 0.658 1.00 0.23 C ATOM 631 C SER A 39 1.200 -14.812 0.322 1.00 0.21 C ATOM 632 O SER A 39 2.112 -15.411 0.894 1.00 0.24 O ATOM 633 CB SER A 39 -0.724 -16.364 -0.062 1.00 0.26 C ATOM 634 OG SER A 39 -2.053 -16.696 0.296 1.00 1.37 O ATOM 0 H SER A 39 -1.707 -14.133 -0.514 1.00 0.21 H new ATOM 0 HA SER A 39 -0.348 -15.252 1.733 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.661 -16.217 -1.140 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.060 -17.192 0.187 1.00 0.26 H new ATOM 0 HG SER A 39 -2.327 -17.508 -0.179 1.00 1.37 H new ATOM 640 N GLN A 40 1.409 -13.889 -0.610 1.00 0.19 N ATOM 641 CA GLN A 40 2.751 -13.508 -1.035 1.00 0.18 C ATOM 642 C GLN A 40 3.294 -12.381 -0.162 1.00 0.16 C ATOM 643 O GLN A 40 4.392 -11.879 -0.394 1.00 0.16 O ATOM 644 CB GLN A 40 2.746 -13.077 -2.503 1.00 0.21 C ATOM 645 CG GLN A 40 2.245 -14.150 -3.455 1.00 0.27 C ATOM 646 CD GLN A 40 3.161 -15.357 -3.509 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.371 -15.241 -3.316 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.587 -16.526 -3.774 1.00 0.69 N ATOM 0 H GLN A 40 0.661 -13.388 -1.089 1.00 0.19 H new ATOM 0 HA GLN A 40 3.400 -14.377 -0.925 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.122 -12.190 -2.609 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.758 -12.792 -2.792 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.249 -14.468 -3.146 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.149 -13.727 -4.455 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.580 -16.576 -3.927 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.154 -17.373 -3.824 1.00 0.69 H new ATOM 657 N SER A 41 2.505 -11.980 0.830 1.00 0.17 N ATOM 658 CA SER A 41 2.885 -10.903 1.745 1.00 0.20 C ATOM 659 C SER A 41 4.334 -11.038 2.201 1.00 0.20 C ATOM 660 O SER A 41 5.008 -10.040 2.452 1.00 0.25 O ATOM 661 CB SER A 41 1.964 -10.894 2.964 1.00 0.23 C ATOM 662 OG SER A 41 1.909 -12.173 3.574 1.00 1.10 O ATOM 0 H SER A 41 1.590 -12.387 1.024 1.00 0.17 H new ATOM 0 HA SER A 41 2.784 -9.963 1.203 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.319 -10.159 3.686 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.962 -10.588 2.664 1.00 0.23 H new ATOM 0 HG SER A 41 1.151 -12.676 3.211 1.00 1.10 H new ATOM 668 N ALA A 42 4.805 -12.274 2.310 1.00 0.18 N ATOM 669 CA ALA A 42 6.174 -12.535 2.736 1.00 0.20 C ATOM 670 C ALA A 42 7.138 -12.478 1.556 1.00 0.17 C ATOM 671 O ALA A 42 8.279 -12.038 1.695 1.00 0.18 O ATOM 672 CB ALA A 42 6.259 -13.888 3.424 1.00 0.24 C ATOM 0 H ALA A 42 4.259 -13.112 2.109 1.00 0.18 H new ATOM 0 HA ALA A 42 6.464 -11.758 3.444 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.286 -14.073 3.738 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.606 -13.894 4.297 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.946 -14.669 2.731 1.00 0.24 H new ATOM 678 N ASN A 43 6.671 -12.924 0.395 1.00 0.16 N ATOM 679 CA ASN A 43 7.495 -12.928 -0.810 1.00 0.16 C ATOM 680 C ASN A 43 7.714 -11.512 -1.330 1.00 0.13 C ATOM 681 O ASN A 43 8.847 -11.043 -1.416 1.00 0.14 O ATOM 682 CB ASN A 43 6.837 -13.779 -1.897 1.00 0.18 C ATOM 683 CG ASN A 43 6.846 -15.258 -1.562 1.00 0.21 C ATOM 684 OD1 ASN A 43 7.765 -15.985 -1.936 1.00 0.59 O ATOM 685 ND2 ASN A 43 5.821 -15.710 -0.848 1.00 0.71 N ATOM 0 H ASN A 43 5.727 -13.287 0.262 1.00 0.16 H new ATOM 0 HA ASN A 43 8.464 -13.355 -0.552 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.808 -13.448 -2.040 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.357 -13.621 -2.842 1.00 0.18 H new ATOM 0 HD21 ASN A 43 5.775 -16.696 -0.589 1.00 0.71 H new ATOM 0 HD22 ASN A 43 5.080 -15.072 -0.559 1.00 0.71 H new ATOM 692 N LEU A 44 6.620 -10.840 -1.674 1.00 0.13 N ATOM 693 CA LEU A 44 6.682 -9.476 -2.186 1.00 0.12 C ATOM 694 C LEU A 44 7.498 -8.581 -1.262 1.00 0.11 C ATOM 695 O LEU A 44 8.182 -7.665 -1.716 1.00 0.12 O ATOM 696 CB LEU A 44 5.270 -8.918 -2.353 1.00 0.12 C ATOM 697 CG LEU A 44 4.374 -9.719 -3.299 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.917 -9.336 -3.101 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.795 -9.498 -4.744 1.00 0.23 C ATOM 0 H LEU A 44 5.676 -11.220 -1.607 1.00 0.13 H new ATOM 0 HA LEU A 44 7.176 -9.496 -3.157 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.793 -8.874 -1.374 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.340 -7.894 -2.720 1.00 0.12 H new ATOM 0 HG LEU A 44 4.485 -10.778 -3.068 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.293 -9.915 -3.782 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.623 -9.545 -2.072 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.789 -8.273 -3.307 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.147 -10.075 -5.404 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.712 -8.439 -4.989 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.828 -9.821 -4.876 1.00 0.23 H new ATOM 711 N LEU A 45 7.418 -8.850 0.038 1.00 0.12 N ATOM 712 CA LEU A 45 8.163 -8.074 1.022 1.00 0.13 C ATOM 713 C LEU A 45 9.656 -8.307 0.844 1.00 0.13 C ATOM 714 O LEU A 45 10.435 -7.366 0.712 1.00 0.15 O ATOM 715 CB LEU A 45 7.748 -8.472 2.441 1.00 0.15 C ATOM 716 CG LEU A 45 7.448 -7.312 3.397 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.302 -7.828 4.820 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.536 -6.251 3.327 1.00 0.14 C ATOM 0 H LEU A 45 6.847 -9.597 0.433 1.00 0.12 H new ATOM 0 HA LEU A 45 7.940 -7.018 0.871 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.862 -9.104 2.377 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.542 -9.080 2.875 1.00 0.15 H new ATOM 0 HG LEU A 45 6.508 -6.852 3.090 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.089 -6.994 5.489 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.484 -8.547 4.864 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.228 -8.313 5.128 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.298 -5.440 4.015 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.493 -6.693 3.604 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.597 -5.859 2.312 1.00 0.14 H new ATOM 730 N ALA A 46 10.039 -9.579 0.840 1.00 0.14 N ATOM 731 CA ALA A 46 11.433 -9.970 0.676 1.00 0.15 C ATOM 732 C ALA A 46 12.002 -9.451 -0.639 1.00 0.15 C ATOM 733 O ALA A 46 13.160 -9.040 -0.706 1.00 0.20 O ATOM 734 CB ALA A 46 11.555 -11.483 0.742 1.00 0.16 C ATOM 0 H ALA A 46 9.396 -10.363 0.950 1.00 0.14 H new ATOM 0 HA ALA A 46 12.010 -9.526 1.487 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.599 -11.770 0.619 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.194 -11.835 1.708 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.960 -11.931 -0.053 1.00 0.16 H new ATOM 740 N GLU A 47 11.180 -9.478 -1.682 1.00 0.13 N ATOM 741 CA GLU A 47 11.594 -9.012 -2.999 1.00 0.15 C ATOM 742 C GLU A 47 11.671 -7.493 -3.038 1.00 0.13 C ATOM 743 O GLU A 47 12.480 -6.922 -3.770 1.00 0.17 O ATOM 744 CB GLU A 47 10.627 -9.522 -4.068 1.00 0.18 C ATOM 745 CG GLU A 47 10.849 -10.980 -4.428 1.00 0.28 C ATOM 746 CD GLU A 47 12.130 -11.200 -5.208 1.00 1.24 C ATOM 747 OE1 GLU A 47 12.120 -10.984 -6.438 1.00 1.09 O ATOM 748 OE2 GLU A 47 13.143 -11.589 -4.590 1.00 2.19 O ATOM 0 H GLU A 47 10.220 -9.819 -1.640 1.00 0.13 H new ATOM 0 HA GLU A 47 12.588 -9.408 -3.205 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.604 -9.393 -3.715 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.733 -8.913 -4.965 1.00 0.18 H new ATOM 0 HG2 GLU A 47 10.877 -11.575 -3.515 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.004 -11.338 -5.016 1.00 0.28 H new ATOM 755 N ALA A 48 10.827 -6.841 -2.246 1.00 0.10 N ATOM 756 CA ALA A 48 10.819 -5.386 -2.186 1.00 0.10 C ATOM 757 C ALA A 48 12.045 -4.892 -1.436 1.00 0.11 C ATOM 758 O ALA A 48 12.644 -3.881 -1.799 1.00 0.12 O ATOM 759 CB ALA A 48 9.545 -4.878 -1.530 1.00 0.11 C ATOM 0 H ALA A 48 10.143 -7.295 -1.640 1.00 0.10 H new ATOM 0 HA ALA A 48 10.849 -4.995 -3.203 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.562 -3.789 -1.497 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.682 -5.210 -2.107 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.476 -5.271 -0.516 1.00 0.11 H new ATOM 765 N LYS A 49 12.405 -5.613 -0.380 1.00 0.12 N ATOM 766 CA LYS A 49 13.581 -5.282 0.409 1.00 0.14 C ATOM 767 C LYS A 49 14.826 -5.617 -0.397 1.00 0.14 C ATOM 768 O LYS A 49 15.833 -4.911 -0.345 1.00 0.17 O ATOM 769 CB LYS A 49 13.575 -6.071 1.718 1.00 0.14 C ATOM 770 CG LYS A 49 12.363 -5.796 2.592 1.00 0.14 C ATOM 771 CD LYS A 49 12.379 -6.652 3.848 1.00 0.16 C ATOM 772 CE LYS A 49 11.859 -8.054 3.579 1.00 0.16 C ATOM 773 NZ LYS A 49 11.914 -8.910 4.796 1.00 0.21 N ATOM 0 H LYS A 49 11.896 -6.433 -0.051 1.00 0.12 H new ATOM 0 HA LYS A 49 13.574 -4.218 0.647 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.613 -7.136 1.490 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.478 -5.833 2.280 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.344 -4.742 2.869 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.452 -5.994 2.027 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.396 -6.709 4.236 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.770 -6.179 4.618 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.831 -7.997 3.221 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.448 -8.513 2.785 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.551 -9.858 4.570 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.898 -8.985 5.123 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.332 -8.485 5.546 1.00 0.21 H new ATOM 787 N LYS A 50 14.732 -6.712 -1.146 1.00 0.13 N ATOM 788 CA LYS A 50 15.820 -7.169 -1.997 1.00 0.16 C ATOM 789 C LYS A 50 16.027 -6.193 -3.145 1.00 0.16 C ATOM 790 O LYS A 50 17.126 -6.066 -3.686 1.00 0.22 O ATOM 791 CB LYS A 50 15.495 -8.564 -2.542 1.00 0.17 C ATOM 792 CG LYS A 50 16.490 -9.072 -3.573 1.00 0.52 C ATOM 793 CD LYS A 50 16.166 -10.494 -4.002 1.00 0.51 C ATOM 794 CE LYS A 50 17.078 -10.957 -5.128 1.00 1.36 C ATOM 795 NZ LYS A 50 16.911 -10.127 -6.352 1.00 2.10 N ATOM 0 H LYS A 50 13.902 -7.304 -1.178 1.00 0.13 H new ATOM 0 HA LYS A 50 16.738 -7.220 -1.411 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.457 -9.268 -1.711 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.501 -8.546 -2.989 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.481 -8.416 -4.444 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.497 -9.036 -3.158 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.269 -11.165 -3.149 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.127 -10.549 -4.327 1.00 0.51 H new ATOM 0 HE2 LYS A 50 18.116 -10.912 -4.797 1.00 1.36 H new ATOM 0 HE3 LYS A 50 16.864 -11.999 -5.364 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.330 -10.621 -7.166 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 15.898 -9.967 -6.528 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.388 -9.212 -6.219 1.00 2.10 H new ATOM 809 N LEU A 51 14.953 -5.500 -3.502 1.00 0.14 N ATOM 810 CA LEU A 51 14.982 -4.525 -4.581 1.00 0.15 C ATOM 811 C LEU A 51 15.416 -3.163 -4.063 1.00 0.15 C ATOM 812 O LEU A 51 16.155 -2.437 -4.729 1.00 0.18 O ATOM 813 CB LEU A 51 13.597 -4.421 -5.217 1.00 0.15 C ATOM 814 CG LEU A 51 13.503 -3.510 -6.442 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.537 -3.899 -7.488 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.102 -3.569 -7.028 1.00 0.18 C ATOM 0 H LEU A 51 14.042 -5.598 -3.053 1.00 0.14 H new ATOM 0 HA LEU A 51 15.702 -4.855 -5.330 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.272 -5.421 -5.504 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.896 -4.061 -4.464 1.00 0.15 H new ATOM 0 HG LEU A 51 13.711 -2.487 -6.129 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.450 -3.237 -8.349 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.536 -3.811 -7.062 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.366 -4.928 -7.803 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.045 -2.917 -7.900 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.875 -4.593 -7.325 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.381 -3.239 -6.280 1.00 0.18 H new ATOM 828 N ASN A 52 14.947 -2.824 -2.870 1.00 0.15 N ATOM 829 CA ASN A 52 15.282 -1.553 -2.248 1.00 0.18 C ATOM 830 C ASN A 52 16.772 -1.500 -1.950 1.00 0.17 C ATOM 831 O ASN A 52 17.375 -0.429 -1.912 1.00 0.17 O ATOM 832 CB ASN A 52 14.481 -1.363 -0.957 1.00 0.26 C ATOM 833 CG ASN A 52 14.711 -0.004 -0.324 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.019 0.963 -0.637 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.682 0.076 0.577 1.00 0.21 N ATOM 0 H ASN A 52 14.331 -3.415 -2.312 1.00 0.15 H new ATOM 0 HA ASN A 52 15.027 -0.748 -2.937 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.419 -1.485 -1.171 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.755 -2.142 -0.246 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.877 0.964 1.039 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.233 -0.751 0.808 1.00 0.21 H new ATOM 842 N ASP A 53 17.357 -2.674 -1.740 1.00 0.18 N ATOM 843 CA ASP A 53 18.778 -2.778 -1.455 1.00 0.20 C ATOM 844 C ASP A 53 19.583 -2.745 -2.748 1.00 0.22 C ATOM 845 O ASP A 53 20.779 -2.452 -2.743 1.00 0.25 O ATOM 846 CB ASP A 53 19.075 -4.068 -0.686 1.00 0.23 C ATOM 847 CG ASP A 53 20.549 -4.226 -0.367 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.278 -4.806 -1.199 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.973 -3.768 0.715 1.00 0.34 O ATOM 0 H ASP A 53 16.865 -3.567 -1.762 1.00 0.18 H new ATOM 0 HA ASP A 53 19.068 -1.927 -0.839 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.503 -4.074 0.242 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.740 -4.923 -1.273 1.00 0.23 H new ATOM 854 N ALA A 54 18.911 -3.042 -3.857 1.00 0.22 N ATOM 855 CA ALA A 54 19.553 -3.048 -5.165 1.00 0.26 C ATOM 856 C ALA A 54 19.735 -1.629 -5.685 1.00 0.28 C ATOM 857 O ALA A 54 20.703 -1.329 -6.383 1.00 0.32 O ATOM 858 CB ALA A 54 18.737 -3.867 -6.153 1.00 0.27 C ATOM 0 H ALA A 54 17.920 -3.282 -3.874 1.00 0.22 H new ATOM 0 HA ALA A 54 20.537 -3.504 -5.058 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.230 -3.861 -7.125 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.654 -4.893 -5.794 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.741 -3.435 -6.249 1.00 0.27 H new ATOM 864 N GLN A 55 18.792 -0.761 -5.337 1.00 0.27 N ATOM 865 CA GLN A 55 18.838 0.631 -5.765 1.00 0.31 C ATOM 866 C GLN A 55 19.454 1.507 -4.679 1.00 0.33 C ATOM 867 O GLN A 55 19.583 2.721 -4.845 1.00 0.41 O ATOM 868 CB GLN A 55 17.429 1.124 -6.100 1.00 0.32 C ATOM 869 CG GLN A 55 16.676 0.204 -7.048 1.00 0.32 C ATOM 870 CD GLN A 55 15.311 0.747 -7.427 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.829 0.524 -8.538 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.678 1.459 -6.501 1.00 0.29 N ATOM 0 H GLN A 55 17.986 -0.998 -4.759 1.00 0.27 H new ATOM 0 HA GLN A 55 19.460 0.698 -6.657 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.859 1.227 -5.177 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.496 2.117 -6.546 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.268 0.056 -7.951 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.557 -0.774 -6.581 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.115 1.619 -5.593 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.755 1.846 -6.698 1.00 0.29 H new ATOM 881 N ALA A 56 19.834 0.880 -3.569 1.00 0.28 N ATOM 882 CA ALA A 56 20.437 1.593 -2.451 1.00 0.31 C ATOM 883 C ALA A 56 21.690 2.349 -2.886 1.00 0.39 C ATOM 884 O ALA A 56 22.398 1.920 -3.798 1.00 0.44 O ATOM 885 CB ALA A 56 20.765 0.623 -1.326 1.00 0.29 C ATOM 0 H ALA A 56 19.734 -0.124 -3.421 1.00 0.28 H new ATOM 0 HA ALA A 56 19.716 2.325 -2.088 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.215 1.167 -0.496 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.851 0.136 -0.987 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.465 -0.131 -1.688 1.00 0.29 H new ATOM 891 N PRO A 57 21.981 3.492 -2.236 1.00 0.45 N ATOM 892 CA PRO A 57 23.153 4.315 -2.558 1.00 0.54 C ATOM 893 C PRO A 57 24.468 3.599 -2.260 1.00 0.63 C ATOM 894 O PRO A 57 24.500 2.379 -2.098 1.00 0.83 O ATOM 895 CB PRO A 57 23.002 5.545 -1.656 1.00 0.68 C ATOM 896 CG PRO A 57 21.588 5.522 -1.185 1.00 0.61 C ATOM 897 CD PRO A 57 21.189 4.077 -1.145 1.00 0.47 C ATOM 0 HA PRO A 57 23.191 4.556 -3.620 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.696 5.504 -0.817 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.218 6.462 -2.204 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.498 5.979 -0.200 1.00 0.61 H new ATOM 0 HG3 PRO A 57 20.943 6.086 -1.859 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.423 3.619 -0.184 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.119 3.948 -1.307 1.00 0.47 H new ATOM 905 N LYS A 58 25.550 4.371 -2.188 1.00 0.75 N ATOM 906 CA LYS A 58 26.871 3.815 -1.910 1.00 0.91 C ATOM 907 C LYS A 58 26.918 3.173 -0.526 1.00 1.37 C ATOM 908 O LYS A 58 26.987 3.918 0.475 1.00 1.85 O ATOM 909 CB LYS A 58 27.943 4.905 -2.029 1.00 1.12 C ATOM 910 CG LYS A 58 27.608 6.184 -1.277 1.00 2.01 C ATOM 911 CD LYS A 58 28.663 7.256 -1.499 1.00 2.90 C ATOM 912 CE LYS A 58 28.645 7.775 -2.928 1.00 3.59 C ATOM 913 NZ LYS A 58 29.674 8.827 -3.150 1.00 4.27 N ATOM 914 OXT LYS A 58 26.884 1.927 -0.454 1.00 2.03 O ATOM 0 H LYS A 58 25.537 5.383 -2.318 1.00 0.75 H new ATOM 0 HA LYS A 58 27.073 3.039 -2.648 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.889 4.513 -1.656 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.090 5.143 -3.083 1.00 1.12 H new ATOM 0 HG2 LYS A 58 26.637 6.555 -1.604 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.525 5.969 -0.212 1.00 2.01 H new ATOM 0 HD2 LYS A 58 28.493 8.083 -0.809 1.00 2.90 H new ATOM 0 HD3 LYS A 58 29.648 6.849 -1.272 1.00 2.90 H new ATOM 0 HE2 LYS A 58 28.817 6.948 -3.617 1.00 3.59 H new ATOM 0 HE3 LYS A 58 27.658 8.179 -3.155 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 29.629 9.154 -4.136 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 29.495 9.628 -2.511 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 30.618 8.435 -2.958 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 12.043 9.798 -0.113 1.00 3.48 N ATOM 930 CA VAL B 101 12.072 10.545 1.172 1.00 2.61 C ATOM 931 C VAL B 101 11.006 10.023 2.129 1.00 2.18 C ATOM 932 O VAL B 101 9.814 10.053 1.822 1.00 2.41 O ATOM 933 CB VAL B 101 11.848 12.053 0.946 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.080 12.828 2.234 1.00 2.50 C ATOM 935 CG2 VAL B 101 12.753 12.567 -0.163 1.00 3.29 C ATOM 0 HA VAL B 101 13.059 10.392 1.610 1.00 2.61 H new ATOM 0 HB VAL B 101 10.813 12.205 0.640 1.00 2.67 H new ATOM 0 HG11 VAL B 101 11.917 13.891 2.054 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.386 12.479 2.999 1.00 2.50 H new ATOM 0 HG13 VAL B 101 13.104 12.671 2.574 1.00 2.50 H new ATOM 0 HG21 VAL B 101 12.581 13.633 -0.308 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.795 12.402 0.112 1.00 3.29 H new ATOM 0 HG23 VAL B 101 12.533 12.035 -1.088 1.00 3.29 H new ATOM 947 N ASP B 102 11.443 9.549 3.291 1.00 1.82 N ATOM 948 CA ASP B 102 10.525 9.015 4.291 1.00 1.99 C ATOM 949 C ASP B 102 9.933 10.133 5.144 1.00 1.57 C ATOM 950 O ASP B 102 8.930 9.938 5.830 1.00 1.98 O ATOM 951 CB ASP B 102 11.246 8.003 5.185 1.00 2.35 C ATOM 952 CG ASP B 102 10.291 7.252 6.094 1.00 3.09 C ATOM 953 OD1 ASP B 102 9.956 7.783 7.173 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.878 6.131 5.725 1.00 3.25 O ATOM 0 H ASP B 102 12.426 9.524 3.563 1.00 1.82 H new ATOM 0 HA ASP B 102 9.710 8.514 3.768 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.786 7.291 4.561 1.00 2.35 H new ATOM 0 HB3 ASP B 102 11.988 8.522 5.791 1.00 2.35 H new ATOM 959 N ASN B 103 10.559 11.305 5.097 1.00 1.11 N ATOM 960 CA ASN B 103 10.089 12.454 5.865 1.00 1.29 C ATOM 961 C ASN B 103 8.704 12.896 5.400 1.00 1.11 C ATOM 962 O ASN B 103 7.994 13.599 6.118 1.00 1.40 O ATOM 963 CB ASN B 103 11.074 13.617 5.743 1.00 1.77 C ATOM 964 CG ASN B 103 12.430 13.290 6.337 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.680 13.539 7.516 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.314 12.730 5.521 1.00 2.04 N ATOM 0 H ASN B 103 11.392 11.484 4.536 1.00 1.11 H new ATOM 0 HA ASN B 103 10.021 12.152 6.910 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.194 13.879 4.692 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.662 14.493 6.245 1.00 1.77 H new ATOM 0 HD21 ASN B 103 14.244 12.488 5.864 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.064 12.541 4.550 1.00 2.04 H new ATOM 973 N LYS B 104 8.327 12.480 4.194 1.00 0.91 N ATOM 974 CA LYS B 104 7.028 12.834 3.636 1.00 0.83 C ATOM 975 C LYS B 104 5.899 12.201 4.443 1.00 0.58 C ATOM 976 O LYS B 104 5.041 12.901 4.985 1.00 0.72 O ATOM 977 CB LYS B 104 6.937 12.392 2.174 1.00 0.98 C ATOM 978 CG LYS B 104 8.009 13.003 1.284 1.00 1.29 C ATOM 979 CD LYS B 104 7.788 12.662 -0.183 1.00 1.55 C ATOM 980 CE LYS B 104 7.897 11.165 -0.436 1.00 1.61 C ATOM 981 NZ LYS B 104 7.730 10.832 -1.878 1.00 2.12 N ATOM 0 H LYS B 104 8.903 11.898 3.586 1.00 0.91 H new ATOM 0 HA LYS B 104 6.923 13.918 3.686 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.013 11.306 2.126 1.00 0.98 H new ATOM 0 HB3 LYS B 104 5.956 12.660 1.783 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.011 14.086 1.409 1.00 1.29 H new ATOM 0 HG3 LYS B 104 8.989 12.644 1.597 1.00 1.29 H new ATOM 0 HD2 LYS B 104 6.804 13.013 -0.494 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.522 13.189 -0.793 1.00 1.55 H new ATOM 0 HE2 LYS B 104 8.867 10.808 -0.091 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.139 10.642 0.148 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 7.811 9.803 -2.008 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 6.794 11.149 -2.201 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.468 11.310 -2.433 1.00 2.12 H new ATOM 995 N PHE B 105 5.908 10.874 4.522 1.00 0.46 N ATOM 996 CA PHE B 105 4.885 10.144 5.262 1.00 0.37 C ATOM 997 C PHE B 105 5.481 9.455 6.487 1.00 0.57 C ATOM 998 O PHE B 105 6.494 8.762 6.392 1.00 1.14 O ATOM 999 CB PHE B 105 4.202 9.114 4.356 1.00 0.49 C ATOM 1000 CG PHE B 105 5.157 8.225 3.609 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.785 8.673 2.459 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.430 6.944 4.062 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.665 7.859 1.771 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.309 6.125 3.379 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.920 6.582 2.224 1.00 1.19 C ATOM 0 H PHE B 105 6.613 10.282 4.082 1.00 0.46 H new ATOM 0 HA PHE B 105 4.140 10.862 5.604 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.543 8.493 4.963 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.573 9.639 3.637 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.585 9.670 2.095 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.950 6.582 4.959 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.153 8.223 0.879 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.519 5.131 3.745 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.595 5.939 1.679 1.00 1.19 H new ATOM 1015 N ASN B 106 4.844 9.655 7.638 1.00 0.51 N ATOM 1016 CA ASN B 106 5.305 9.058 8.887 1.00 0.67 C ATOM 1017 C ASN B 106 4.239 8.135 9.469 1.00 0.67 C ATOM 1018 O ASN B 106 4.401 6.915 9.486 1.00 0.82 O ATOM 1019 CB ASN B 106 5.655 10.149 9.900 1.00 0.81 C ATOM 1020 CG ASN B 106 5.852 11.504 9.247 1.00 0.84 C ATOM 1021 OD1 ASN B 106 6.962 11.860 8.851 1.00 1.17 O ATOM 1022 ND2 ASN B 106 4.770 12.267 9.132 1.00 0.78 N ATOM 0 H ASN B 106 4.005 10.228 7.731 1.00 0.51 H new ATOM 0 HA ASN B 106 6.198 8.470 8.674 1.00 0.67 H new ATOM 0 HB2 ASN B 106 4.861 10.219 10.643 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.565 9.869 10.431 1.00 0.81 H new ATOM 0 HD21 ASN B 106 4.840 13.189 8.701 1.00 0.78 H new ATOM 0 HD22 ASN B 106 3.870 11.931 9.475 1.00 0.78 H new ATOM 1029 N LYS B 107 3.151 8.728 9.950 1.00 0.62 N ATOM 1030 CA LYS B 107 2.051 7.966 10.530 1.00 0.63 C ATOM 1031 C LYS B 107 0.721 8.384 9.919 1.00 0.54 C ATOM 1032 O LYS B 107 0.059 7.592 9.254 1.00 0.45 O ATOM 1033 CB LYS B 107 1.999 8.170 12.043 1.00 0.79 C ATOM 1034 CG LYS B 107 0.810 7.488 12.705 1.00 0.80 C ATOM 1035 CD LYS B 107 0.724 7.821 14.187 1.00 1.00 C ATOM 1036 CE LYS B 107 0.376 9.284 14.414 1.00 1.07 C ATOM 1037 NZ LYS B 107 0.193 9.596 15.858 1.00 1.78 N ATOM 0 H LYS B 107 3.007 9.738 9.949 1.00 0.62 H new ATOM 0 HA LYS B 107 2.225 6.912 10.313 1.00 0.63 H new ATOM 0 HB2 LYS B 107 2.919 7.789 12.485 1.00 0.79 H new ATOM 0 HB3 LYS B 107 1.961 9.238 12.257 1.00 0.79 H new ATOM 0 HG2 LYS B 107 -0.110 7.797 12.209 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.893 6.409 12.579 1.00 0.80 H new ATOM 0 HD2 LYS B 107 -0.029 7.190 14.659 1.00 1.00 H new ATOM 0 HD3 LYS B 107 1.676 7.594 14.667 1.00 1.00 H new ATOM 0 HE2 LYS B 107 1.167 9.913 14.005 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -0.538 9.528 13.872 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -0.043 10.603 15.968 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -0.579 9.015 16.244 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 1.073 9.388 16.372 1.00 1.78 H new ATOM 1051 N GLU B 108 0.345 9.637 10.162 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.907 10.194 9.656 1.00 0.62 C ATOM 1053 C GLU B 108 -1.187 9.760 8.217 1.00 0.49 C ATOM 1054 O GLU B 108 -2.340 9.566 7.832 1.00 0.53 O ATOM 1055 CB GLU B 108 -0.867 11.721 9.739 1.00 0.74 C ATOM 1056 CG GLU B 108 -1.009 12.255 11.153 1.00 0.87 C ATOM 1057 CD GLU B 108 -1.000 13.770 11.208 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -2.069 14.378 10.990 1.00 1.16 O ATOM 1059 OE2 GLU B 108 0.076 14.348 11.470 1.00 1.37 O ATOM 0 H GLU B 108 0.898 10.293 10.714 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.714 9.810 10.279 1.00 0.62 H new ATOM 0 HB2 GLU B 108 0.074 12.075 9.318 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -1.666 12.131 9.122 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -1.939 11.885 11.585 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -0.196 11.868 11.767 1.00 0.87 H new ATOM 1066 N THR B 109 -0.128 9.608 7.431 1.00 0.39 N ATOM 1067 CA THR B 109 -0.260 9.198 6.038 1.00 0.28 C ATOM 1068 C THR B 109 -0.483 7.692 5.922 1.00 0.25 C ATOM 1069 O THR B 109 -1.275 7.233 5.098 1.00 0.27 O ATOM 1070 CB THR B 109 0.988 9.586 5.223 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.215 10.997 5.318 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.829 9.193 3.762 1.00 0.27 C ATOM 0 H THR B 109 0.833 9.763 7.735 1.00 0.39 H new ATOM 0 HA THR B 109 -1.128 9.719 5.635 1.00 0.28 H new ATOM 0 HB THR B 109 1.843 9.049 5.635 1.00 0.25 H new ATOM 0 HG1 THR B 109 2.091 11.214 4.937 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.724 9.478 3.209 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.685 8.115 3.689 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.036 9.704 3.340 1.00 0.27 H new ATOM 1080 N GLN B 110 0.221 6.928 6.751 1.00 0.30 N ATOM 1081 CA GLN B 110 0.107 5.474 6.740 1.00 0.32 C ATOM 1082 C GLN B 110 -1.275 5.017 7.199 1.00 0.30 C ATOM 1083 O GLN B 110 -1.738 3.942 6.818 1.00 0.30 O ATOM 1084 CB GLN B 110 1.190 4.851 7.621 1.00 0.42 C ATOM 1085 CG GLN B 110 2.584 4.959 7.020 1.00 0.48 C ATOM 1086 CD GLN B 110 3.672 4.384 7.910 1.00 0.85 C ATOM 1087 OE1 GLN B 110 4.809 4.856 7.898 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.336 3.354 8.680 1.00 1.38 N ATOM 0 H GLN B 110 0.878 7.293 7.441 1.00 0.30 H new ATOM 0 HA GLN B 110 0.245 5.137 5.713 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.182 5.339 8.596 1.00 0.42 H new ATOM 0 HB3 GLN B 110 0.954 3.800 7.789 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.599 4.442 6.061 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.805 6.007 6.820 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.382 2.992 8.661 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.032 2.925 9.290 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.929 5.832 8.020 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.262 5.504 8.513 1.00 0.30 C ATOM 1099 C GLU B 111 -4.261 5.539 7.368 1.00 0.28 C ATOM 1100 O GLU B 111 -5.268 4.832 7.379 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.676 6.487 9.607 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.585 6.723 10.632 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.346 5.517 11.520 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -1.578 4.622 11.111 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -2.926 5.470 12.624 1.00 1.04 O ATOM 0 H GLU B 111 -1.560 6.721 8.357 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.246 4.500 8.936 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.949 7.438 9.149 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.565 6.108 10.111 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.659 6.980 10.118 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -2.853 7.578 11.252 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.965 6.374 6.380 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.819 6.509 5.206 1.00 0.17 C ATOM 1114 C ALA B 112 -4.461 5.464 4.156 1.00 0.13 C ATOM 1115 O ALA B 112 -5.319 5.010 3.398 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.700 7.906 4.618 1.00 0.17 C ATOM 0 H ALA B 112 -3.137 6.970 6.368 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.851 6.348 5.517 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.344 7.988 3.743 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.004 8.641 5.363 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.666 8.091 4.326 1.00 0.17 H new ATOM 1122 N SER B 113 -3.186 5.088 4.117 1.00 0.13 N ATOM 1123 CA SER B 113 -2.709 4.095 3.162 1.00 0.11 C ATOM 1124 C SER B 113 -3.270 2.717 3.493 1.00 0.10 C ATOM 1125 O SER B 113 -3.718 1.990 2.607 1.00 0.12 O ATOM 1126 CB SER B 113 -1.179 4.051 3.158 1.00 0.15 C ATOM 1127 OG SER B 113 -0.677 3.606 4.405 1.00 0.92 O ATOM 0 H SER B 113 -2.465 5.457 4.737 1.00 0.13 H new ATOM 0 HA SER B 113 -3.056 4.382 2.170 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.834 3.387 2.366 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.784 5.043 2.937 1.00 0.15 H new ATOM 0 HG SER B 113 -1.296 3.867 5.119 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.247 2.363 4.774 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.758 1.072 5.215 1.00 0.10 C ATOM 1135 C TRP B 114 -5.233 0.930 4.862 1.00 0.12 C ATOM 1136 O TRP B 114 -5.642 -0.072 4.278 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.556 0.901 6.721 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.089 -0.397 7.249 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -5.002 -0.560 8.252 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.747 -1.717 6.803 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.248 -1.895 8.456 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.491 -2.626 7.578 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.886 -2.218 5.821 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.400 -4.005 7.405 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.796 -3.588 5.651 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.551 -4.467 6.438 1.00 0.23 C ATOM 0 H TRP B 114 -2.881 2.951 5.523 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.201 0.290 4.698 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.492 0.967 6.947 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.045 1.725 7.242 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.464 0.245 8.805 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.890 -2.280 9.149 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.302 -1.548 5.207 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.979 -4.685 8.013 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.132 -3.987 4.898 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.461 -5.531 6.278 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.026 1.938 5.222 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.458 1.923 4.932 1.00 0.18 C ATOM 1159 C GLU B 115 -7.712 1.589 3.469 1.00 0.19 C ATOM 1160 O GLU B 115 -8.454 0.664 3.156 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.090 3.272 5.262 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.235 3.536 6.751 1.00 0.31 C ATOM 1163 CD GLU B 115 -9.145 2.533 7.432 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -10.377 2.735 7.404 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -8.625 1.545 7.993 1.00 2.03 O ATOM 0 H GLU B 115 -5.703 2.772 5.713 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.913 1.153 5.555 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.485 4.064 4.820 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.074 3.325 4.796 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -7.251 3.506 7.220 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.630 4.541 6.902 1.00 0.31 H new ATOM 1172 N ILE B 116 -7.099 2.357 2.578 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.248 2.139 1.146 1.00 0.12 C ATOM 1174 C ILE B 116 -6.980 0.679 0.791 1.00 0.10 C ATOM 1175 O ILE B 116 -7.626 0.114 -0.090 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.279 3.044 0.353 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.680 4.513 0.508 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.245 2.647 -1.116 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.588 5.487 0.122 1.00 0.11 C ATOM 0 H ILE B 116 -6.492 3.139 2.823 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.274 2.390 0.877 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.276 2.913 0.759 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.560 4.707 -0.105 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.967 4.695 1.544 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.556 3.299 -1.653 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.911 1.613 -1.206 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.243 2.744 -1.542 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.946 6.508 0.258 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.714 5.322 0.752 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.317 5.334 -0.923 1.00 0.11 H new ATOM 1191 N PHE B 117 -6.031 0.076 1.496 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.663 -1.314 1.256 1.00 0.09 C ATOM 1193 C PHE B 117 -6.691 -2.272 1.852 1.00 0.11 C ATOM 1194 O PHE B 117 -6.818 -3.410 1.399 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.282 -1.597 1.851 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.664 -2.881 1.371 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.892 -4.069 2.046 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.863 -2.901 0.239 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.331 -5.253 1.604 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.300 -4.082 -0.207 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.508 -5.252 0.491 1.00 0.20 C ATOM 0 H PHE B 117 -5.501 0.529 2.240 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.636 -1.475 0.178 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.615 -0.770 1.606 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.365 -1.629 2.937 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.515 -4.070 2.928 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.677 -1.984 -0.300 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.534 -6.176 2.126 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.697 -4.088 -1.103 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.030 -6.166 0.170 1.00 0.20 H new ATOM 1211 N THR B 118 -7.429 -1.814 2.865 1.00 0.12 N ATOM 1212 CA THR B 118 -8.431 -2.662 3.503 1.00 0.16 C ATOM 1213 C THR B 118 -9.655 -2.843 2.613 1.00 0.18 C ATOM 1214 O THR B 118 -10.362 -3.842 2.729 1.00 0.34 O ATOM 1215 CB THR B 118 -8.878 -2.112 4.873 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.548 -0.857 4.714 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.687 -1.946 5.805 1.00 0.20 C ATOM 0 H THR B 118 -7.352 -0.875 3.255 1.00 0.12 H new ATOM 0 HA THR B 118 -7.952 -3.628 3.660 1.00 0.16 H new ATOM 0 HB THR B 118 -9.568 -2.831 5.315 1.00 0.19 H new ATOM 0 HG1 THR B 118 -9.401 -0.521 3.805 1.00 0.26 H new ATOM 0 HG21 THR B 118 -8.027 -1.557 6.765 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.205 -2.912 5.955 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.974 -1.250 5.364 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.903 -1.873 1.728 1.00 0.14 N ATOM 1226 CA LEU B 119 -11.029 -1.928 0.817 1.00 0.14 C ATOM 1227 C LEU B 119 -11.138 -3.294 0.140 1.00 0.15 C ATOM 1228 O LEU B 119 -10.385 -3.599 -0.783 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.863 -0.820 -0.218 1.00 0.16 C ATOM 1230 CG LEU B 119 -11.290 0.575 0.257 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -11.199 0.725 1.762 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -10.488 1.661 -0.434 1.00 1.01 C ATOM 0 H LEU B 119 -9.328 -1.036 1.630 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.953 -1.781 1.376 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -9.817 -0.780 -0.522 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.443 -1.080 -1.104 1.00 0.16 H new ATOM 0 HG LEU B 119 -12.338 0.689 -0.019 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -11.512 1.729 2.047 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -11.849 -0.007 2.241 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -10.170 0.561 2.082 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -10.814 2.638 -0.076 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -9.429 1.528 -0.212 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -10.644 1.599 -1.511 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.095 -4.133 0.588 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.292 -5.476 0.034 1.00 0.26 C ATOM 1246 C PRO B 120 -12.857 -5.446 -1.379 1.00 0.26 C ATOM 1247 O PRO B 120 -12.844 -6.457 -2.083 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.300 -6.108 0.995 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.064 -4.953 1.536 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.071 -3.832 1.655 1.00 0.35 C ATOM 0 HA PRO B 120 -11.353 -6.024 -0.048 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.954 -6.812 0.480 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.799 -6.661 1.790 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.885 -4.681 0.873 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.503 -5.192 2.505 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.541 -2.860 1.508 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.600 -3.813 2.638 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.352 -4.283 -1.791 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.924 -4.135 -3.124 1.00 0.23 C ATOM 1260 C ASN B 121 -12.860 -3.726 -4.132 1.00 0.19 C ATOM 1261 O ASN B 121 -12.948 -4.062 -5.313 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.058 -3.110 -3.114 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.346 -3.688 -2.564 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.092 -4.356 -3.277 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.616 -3.426 -1.291 1.00 0.50 N ATOM 0 H ASN B 121 -13.369 -3.435 -1.225 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.328 -5.102 -3.422 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.762 -2.249 -2.514 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.228 -2.748 -4.128 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.472 -3.784 -0.867 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -15.967 -2.867 -0.737 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.855 -3.000 -3.659 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.774 -2.549 -4.523 1.00 0.13 C ATOM 1274 C LEU B 122 -9.702 -3.612 -4.678 1.00 0.16 C ATOM 1275 O LEU B 122 -9.264 -4.221 -3.701 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.154 -1.266 -3.972 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.683 0.020 -4.600 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.201 -0.008 -4.669 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.206 1.226 -3.814 1.00 0.19 C ATOM 0 H LEU B 122 -11.767 -2.712 -2.684 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.200 -2.352 -5.507 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.328 -1.227 -2.897 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.075 -1.308 -4.119 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.295 0.096 -5.616 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.562 0.917 -5.119 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.522 -0.856 -5.274 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.609 -0.105 -3.663 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.591 2.136 -4.274 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.567 1.157 -2.788 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.116 1.253 -3.814 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.283 -3.829 -5.917 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.250 -4.812 -6.206 1.00 0.20 C ATOM 1293 C ASN B 123 -6.866 -4.191 -6.043 1.00 0.19 C ATOM 1294 O ASN B 123 -6.744 -3.015 -5.705 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.419 -5.386 -7.616 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.613 -4.312 -8.667 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -9.740 -3.935 -8.982 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -7.513 -3.816 -9.218 1.00 1.39 N ATOM 0 H ASN B 123 -9.642 -3.338 -6.736 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.350 -5.631 -5.494 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.542 -5.981 -7.869 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.276 -6.060 -7.629 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -7.583 -3.092 -9.933 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -6.598 -4.158 -8.926 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.832 -4.985 -6.286 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.470 -4.505 -6.141 1.00 0.11 C ATOM 1307 C GLY B 124 -4.180 -3.245 -6.937 1.00 0.11 C ATOM 1308 O GLY B 124 -3.582 -2.305 -6.416 1.00 0.17 O ATOM 0 H GLY B 124 -5.912 -5.958 -6.582 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.272 -4.312 -5.087 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.782 -5.290 -6.456 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.598 -3.219 -8.197 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.357 -2.065 -9.059 1.00 0.14 C ATOM 1314 C ARG B 125 -5.019 -0.801 -8.512 1.00 0.12 C ATOM 1315 O ARG B 125 -4.376 0.242 -8.388 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.867 -2.341 -10.474 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.397 -3.668 -11.045 1.00 0.58 C ATOM 1318 CD ARG B 125 -4.976 -3.916 -12.428 1.00 0.90 C ATOM 1319 NE ARG B 125 -4.600 -5.226 -12.952 1.00 1.75 N ATOM 1320 CZ ARG B 125 -5.274 -5.858 -13.906 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -6.357 -5.304 -14.436 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -4.867 -7.046 -14.333 1.00 3.25 N ATOM 0 H ARG B 125 -5.105 -3.982 -8.645 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.280 -1.899 -9.085 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.957 -2.324 -10.468 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.540 -1.536 -11.132 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.308 -3.677 -11.098 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -4.690 -4.477 -10.376 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -6.063 -3.841 -12.385 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.630 -3.140 -13.110 1.00 0.90 H new ATOM 0 HE ARG B 125 -3.774 -5.681 -12.564 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -6.674 -4.391 -14.111 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -6.873 -5.792 -15.169 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -4.035 -7.476 -13.929 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -5.386 -7.530 -15.066 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.306 -0.900 -8.189 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.059 0.243 -7.675 1.00 0.11 C ATOM 1338 C GLN B 126 -6.420 0.826 -6.414 1.00 0.09 C ATOM 1339 O GLN B 126 -6.123 2.019 -6.362 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.505 -0.163 -7.390 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.154 -0.924 -8.534 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.647 -1.097 -8.347 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.100 -2.047 -7.711 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.420 -0.179 -8.912 1.00 0.64 N ATOM 0 H GLN B 126 -6.850 -1.759 -8.274 1.00 0.12 H new ATOM 0 HA GLN B 126 -7.044 1.017 -8.442 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.531 -0.780 -6.492 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.091 0.732 -7.180 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.968 -0.395 -9.469 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.687 -1.905 -8.624 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -11.000 0.592 -9.431 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.434 -0.244 -8.828 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.214 -0.011 -5.401 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.618 0.446 -4.149 1.00 0.08 C ATOM 1355 C VAL B 127 -4.213 1.003 -4.374 1.00 0.08 C ATOM 1356 O VAL B 127 -3.899 2.098 -3.916 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.562 -0.680 -3.090 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.965 -1.113 -2.692 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.757 -1.867 -3.598 1.00 0.10 C ATOM 0 H VAL B 127 -6.449 -1.003 -5.422 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.262 1.241 -3.773 1.00 0.08 H new ATOM 0 HB VAL B 127 -5.060 -0.287 -2.206 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.903 -1.906 -1.946 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.503 -0.262 -2.274 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.495 -1.482 -3.570 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.733 -2.644 -2.834 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.221 -2.261 -4.502 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.739 -1.547 -3.822 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.377 0.258 -5.099 1.00 0.09 N ATOM 1370 CA ALA B 128 -2.006 0.688 -5.372 1.00 0.10 C ATOM 1371 C ALA B 128 -1.983 2.050 -6.052 1.00 0.10 C ATOM 1372 O ALA B 128 -0.953 2.726 -6.077 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.282 -0.346 -6.222 1.00 0.10 C ATOM 0 H ALA B 128 -3.625 -0.644 -5.506 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.486 0.780 -4.419 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.263 -0.009 -6.415 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.255 -1.298 -5.692 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.808 -0.472 -7.168 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.122 2.446 -6.604 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.236 3.734 -7.275 1.00 0.09 C ATOM 1381 C ALA B 129 -3.522 4.834 -6.261 1.00 0.09 C ATOM 1382 O ALA B 129 -3.079 5.971 -6.418 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.329 3.689 -8.332 1.00 0.10 C ATOM 0 H ALA B 129 -3.980 1.894 -6.600 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.289 3.953 -7.768 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.400 4.659 -8.823 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.089 2.925 -9.071 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.282 3.450 -7.860 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.265 4.480 -5.217 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.610 5.428 -4.166 1.00 0.08 C ATOM 1391 C PHE B 130 -3.487 5.526 -3.133 1.00 0.09 C ATOM 1392 O PHE B 130 -3.412 6.495 -2.378 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.922 5.016 -3.492 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.144 5.295 -4.326 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.608 6.591 -4.483 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.830 4.263 -4.949 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.731 6.853 -5.244 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.954 4.520 -5.712 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.398 5.803 -5.872 1.00 0.16 C ATOM 0 H PHE B 130 -4.640 3.542 -5.077 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.742 6.411 -4.619 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.884 3.951 -3.264 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -6.013 5.543 -2.542 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.086 7.406 -4.005 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.482 3.247 -4.837 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.090 7.866 -5.352 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.483 3.705 -6.183 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.265 6.003 -6.485 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.613 4.518 -3.105 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.486 4.505 -2.177 1.00 0.09 C ATOM 1411 C ILE B 131 -0.361 5.375 -2.718 1.00 0.10 C ATOM 1412 O ILE B 131 0.279 6.123 -1.978 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.940 3.077 -1.951 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -2.065 2.129 -1.526 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.174 3.092 -0.911 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.560 2.352 -0.114 1.00 0.13 C ATOM 0 H ILE B 131 -2.666 3.702 -3.715 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.848 4.892 -1.224 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.527 2.713 -2.892 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.902 2.243 -2.215 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.714 1.101 -1.618 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.548 2.079 -0.763 1.00 0.12 H new ATOM 0 HG22 ILE B 131 0.986 3.731 -1.257 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.214 3.477 0.032 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.356 1.641 0.109 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.738 2.208 0.587 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.944 3.368 -0.019 1.00 0.13 H new ATOM 1428 N SER B 132 -0.128 5.262 -4.021 1.00 0.11 N ATOM 1429 CA SER B 132 0.912 6.034 -4.691 1.00 0.13 C ATOM 1430 C SER B 132 0.648 7.528 -4.548 1.00 0.15 C ATOM 1431 O SER B 132 1.505 8.279 -4.084 1.00 0.21 O ATOM 1432 CB SER B 132 0.980 5.659 -6.170 1.00 0.17 C ATOM 1433 OG SER B 132 2.042 6.335 -6.821 1.00 0.63 O ATOM 0 H SER B 132 -0.649 4.639 -4.638 1.00 0.11 H new ATOM 0 HA SER B 132 1.867 5.801 -4.220 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.116 4.582 -6.269 1.00 0.17 H new ATOM 0 HB3 SER B 132 0.036 5.907 -6.655 1.00 0.17 H new ATOM 0 HG SER B 132 2.064 6.076 -7.766 1.00 0.63 H new ATOM 1439 N SER B 133 -0.545 7.951 -4.958 1.00 0.15 N ATOM 1440 CA SER B 133 -0.931 9.356 -4.872 1.00 0.19 C ATOM 1441 C SER B 133 -0.792 9.866 -3.444 1.00 0.18 C ATOM 1442 O SER B 133 -0.498 11.040 -3.215 1.00 0.26 O ATOM 1443 CB SER B 133 -2.375 9.540 -5.339 1.00 0.23 C ATOM 1444 OG SER B 133 -2.664 10.907 -5.575 1.00 0.74 O ATOM 0 H SER B 133 -1.261 7.341 -5.353 1.00 0.15 H new ATOM 0 HA SER B 133 -0.266 9.929 -5.519 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.541 8.967 -6.251 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.057 9.145 -4.586 1.00 0.23 H new ATOM 0 HG SER B 133 -3.341 10.981 -6.280 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.008 8.970 -2.488 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.917 9.315 -1.074 1.00 0.13 C ATOM 1452 C LEU B 134 0.501 9.723 -0.695 1.00 0.15 C ATOM 1453 O LEU B 134 0.735 10.837 -0.226 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.360 8.130 -0.215 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.485 8.431 0.773 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.814 7.194 1.589 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.094 9.582 1.684 1.00 0.20 C ATOM 0 H LEU B 134 -1.248 7.995 -2.667 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.577 10.163 -0.893 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.682 7.324 -0.874 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.498 7.762 0.341 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.374 8.722 0.213 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.617 7.423 2.289 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.131 6.392 0.922 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.930 6.877 2.142 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.906 9.785 2.383 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.195 9.317 2.240 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.901 10.471 1.084 1.00 0.20 H new ATOM 1469 N LEU B 135 1.440 8.812 -0.905 1.00 0.17 N ATOM 1470 CA LEU B 135 2.839 9.060 -0.578 1.00 0.22 C ATOM 1471 C LEU B 135 3.425 10.157 -1.462 1.00 0.24 C ATOM 1472 O LEU B 135 4.393 10.819 -1.086 1.00 0.31 O ATOM 1473 CB LEU B 135 3.647 7.767 -0.729 1.00 0.26 C ATOM 1474 CG LEU B 135 3.485 6.733 0.400 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.163 6.901 1.140 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.588 5.327 -0.164 1.00 0.65 C ATOM 0 H LEU B 135 1.259 7.890 -1.302 1.00 0.17 H new ATOM 0 HA LEU B 135 2.894 9.398 0.457 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.366 7.295 -1.670 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.702 8.029 -0.806 1.00 0.26 H new ATOM 0 HG LEU B 135 4.289 6.900 1.117 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.089 6.152 1.928 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.117 7.897 1.581 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.336 6.775 0.441 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.472 4.602 0.642 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.804 5.174 -0.905 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.562 5.194 -0.634 1.00 0.65 H new ATOM 1488 N ASP B 136 2.832 10.348 -2.635 1.00 0.22 N ATOM 1489 CA ASP B 136 3.298 11.370 -3.565 1.00 0.26 C ATOM 1490 C ASP B 136 2.670 12.721 -3.238 1.00 0.25 C ATOM 1491 O ASP B 136 3.179 13.769 -3.640 1.00 0.29 O ATOM 1492 CB ASP B 136 2.962 10.973 -5.003 1.00 0.29 C ATOM 1493 CG ASP B 136 3.625 11.878 -6.022 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.769 11.582 -6.425 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.999 12.884 -6.419 1.00 0.40 O ATOM 0 H ASP B 136 2.030 9.810 -2.964 1.00 0.22 H new ATOM 0 HA ASP B 136 4.380 11.455 -3.465 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.277 9.944 -5.176 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.881 11.004 -5.142 1.00 0.29 H new ATOM 1500 N ASP B 137 1.563 12.686 -2.502 1.00 0.24 N ATOM 1501 CA ASP B 137 0.854 13.901 -2.112 1.00 0.27 C ATOM 1502 C ASP B 137 0.112 13.691 -0.793 1.00 0.22 C ATOM 1503 O ASP B 137 -1.117 13.627 -0.768 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.133 14.317 -3.206 1.00 0.38 C ATOM 1505 CG ASP B 137 0.565 14.788 -4.467 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.919 15.984 -4.539 1.00 1.42 O ATOM 1507 OD2 ASP B 137 0.758 13.961 -5.383 1.00 2.13 O ATOM 0 H ASP B 137 1.136 11.825 -2.162 1.00 0.24 H new ATOM 0 HA ASP B 137 1.588 14.696 -1.977 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.781 13.474 -3.446 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.774 15.114 -2.829 1.00 0.38 H new ATOM 1512 N PRO B 138 0.855 13.575 0.323 1.00 0.19 N ATOM 1513 CA PRO B 138 0.266 13.365 1.653 1.00 0.21 C ATOM 1514 C PRO B 138 -0.757 14.437 2.018 1.00 0.22 C ATOM 1515 O PRO B 138 -1.549 14.259 2.942 1.00 0.31 O ATOM 1516 CB PRO B 138 1.471 13.431 2.596 1.00 0.24 C ATOM 1517 CG PRO B 138 2.642 13.088 1.742 1.00 0.25 C ATOM 1518 CD PRO B 138 2.328 13.636 0.380 1.00 0.23 C ATOM 0 HA PRO B 138 -0.282 12.424 1.706 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.577 14.424 3.033 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.365 12.729 3.423 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.557 13.527 2.139 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.796 12.010 1.704 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.694 14.656 0.262 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.786 13.040 -0.409 1.00 0.23 H new ATOM 1526 N SER B 139 -0.736 15.549 1.289 1.00 0.20 N ATOM 1527 CA SER B 139 -1.662 16.642 1.534 1.00 0.22 C ATOM 1528 C SER B 139 -3.091 16.226 1.203 1.00 0.19 C ATOM 1529 O SER B 139 -4.030 16.562 1.926 1.00 0.19 O ATOM 1530 CB SER B 139 -1.264 17.854 0.697 1.00 0.28 C ATOM 1531 OG SER B 139 -1.360 17.571 -0.688 1.00 1.15 O ATOM 0 H SER B 139 -0.084 15.714 0.522 1.00 0.20 H new ATOM 0 HA SER B 139 -1.618 16.903 2.591 1.00 0.22 H new ATOM 0 HB2 SER B 139 -1.908 18.698 0.944 1.00 0.28 H new ATOM 0 HB3 SER B 139 -0.244 18.149 0.941 1.00 0.28 H new ATOM 0 HG SER B 139 -1.101 18.364 -1.203 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.245 15.492 0.105 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.557 15.028 -0.329 1.00 0.17 C ATOM 1539 C GLN B 140 -4.876 13.667 0.270 1.00 0.15 C ATOM 1540 O GLN B 140 -5.726 12.946 -0.238 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.616 14.938 -1.853 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.469 16.278 -2.553 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.539 17.272 -2.146 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.608 17.334 -2.752 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.253 18.062 -1.116 1.00 1.37 N ATOM 0 H GLN B 140 -2.476 15.206 -0.501 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.297 15.749 0.018 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.827 14.270 -2.199 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.565 14.489 -2.145 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.487 16.695 -2.328 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.511 16.126 -3.632 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.354 17.977 -0.642 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -5.933 18.754 -0.800 1.00 1.37 H new ATOM 1554 N SER B 141 -4.184 13.323 1.347 1.00 0.15 N ATOM 1555 CA SER B 141 -4.382 12.042 2.020 1.00 0.13 C ATOM 1556 C SER B 141 -5.856 11.769 2.299 1.00 0.13 C ATOM 1557 O SER B 141 -6.367 10.698 1.976 1.00 0.18 O ATOM 1558 CB SER B 141 -3.597 12.015 3.334 1.00 0.15 C ATOM 1559 OG SER B 141 -3.843 10.818 4.051 1.00 1.01 O ATOM 0 H SER B 141 -3.475 13.916 1.778 1.00 0.15 H new ATOM 0 HA SER B 141 -4.017 11.261 1.353 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.531 12.105 3.126 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.876 12.873 3.946 1.00 0.15 H new ATOM 0 HG SER B 141 -2.991 10.422 4.328 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.531 12.737 2.904 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.943 12.588 3.232 1.00 0.17 C ATOM 1567 C ALA B 142 -8.807 12.573 1.977 1.00 0.17 C ATOM 1568 O ALA B 142 -9.878 11.970 1.966 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.388 13.698 4.169 1.00 0.20 C ATOM 0 H ALA B 142 -6.125 13.632 3.177 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.070 11.629 3.735 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.445 13.573 4.405 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.803 13.655 5.088 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.235 14.664 3.687 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.343 13.237 0.923 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.096 13.293 -0.325 1.00 0.18 C ATOM 1577 C ASN B 143 -8.871 12.029 -1.138 1.00 0.16 C ATOM 1578 O ASN B 143 -9.732 11.602 -1.904 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.693 14.517 -1.142 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.880 15.812 -0.378 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -9.942 16.432 -0.435 1.00 0.26 O ATOM 1582 ND2 ASN B 143 -7.846 16.228 0.343 1.00 0.23 N ATOM 0 H ASN B 143 -7.456 13.740 0.907 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.155 13.371 -0.080 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.649 14.423 -1.441 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.285 14.550 -2.057 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -7.913 17.093 0.879 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -6.984 15.682 0.361 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.701 11.437 -0.953 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.325 10.223 -1.652 1.00 0.12 C ATOM 1591 C LEU B 144 -7.984 9.022 -1.000 1.00 0.11 C ATOM 1592 O LEU B 144 -8.422 8.093 -1.678 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.804 10.090 -1.647 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.079 11.114 -2.521 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.593 11.109 -2.229 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.340 10.836 -3.993 1.00 0.14 C ATOM 0 H LEU B 144 -6.987 11.786 -0.314 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.667 10.270 -2.686 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.446 10.187 -0.622 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.538 9.088 -1.985 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.467 12.105 -2.285 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.095 11.844 -2.861 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.427 11.360 -1.181 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.185 10.119 -2.434 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.817 11.574 -4.601 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.980 9.838 -4.244 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.410 10.896 -4.190 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.051 9.051 0.325 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.695 7.987 1.073 1.00 0.11 C ATOM 1610 C LEU B 145 -10.199 8.128 0.913 1.00 0.12 C ATOM 1611 O LEU B 145 -10.944 7.150 0.980 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.296 8.046 2.549 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.173 7.231 3.504 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.229 5.773 3.076 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.655 7.351 4.930 1.00 0.16 C ATOM 0 H LEU B 145 -7.667 9.800 0.900 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.375 7.019 0.688 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.267 7.698 2.643 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.311 9.088 2.870 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.186 7.633 3.467 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.858 5.214 3.769 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.647 5.704 2.072 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.223 5.354 3.080 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.288 6.767 5.598 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.633 6.976 4.979 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.672 8.397 5.237 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.634 9.366 0.691 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.043 9.647 0.487 1.00 0.17 C ATOM 1629 C ALA B 146 -12.486 9.067 -0.848 1.00 0.16 C ATOM 1630 O ALA B 146 -13.508 8.390 -0.935 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.302 11.147 0.532 1.00 0.20 C ATOM 0 H ALA B 146 -10.028 10.186 0.649 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.620 9.183 1.287 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.364 11.338 0.377 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.001 11.539 1.503 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.727 11.639 -0.252 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.692 9.334 -1.885 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.974 8.830 -3.221 1.00 0.19 C ATOM 1639 C GLU B 147 -12.013 7.314 -3.193 1.00 0.16 C ATOM 1640 O GLU B 147 -12.934 6.688 -3.718 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.895 9.292 -4.200 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.898 10.789 -4.454 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.853 11.193 -5.560 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.079 11.173 -5.321 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.376 11.531 -6.663 1.00 0.57 O ATOM 0 H GLU B 147 -10.846 9.900 -1.820 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.939 9.218 -3.548 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.918 9.000 -3.814 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.031 8.772 -5.148 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.171 11.309 -3.536 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.890 11.111 -4.714 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.990 6.738 -2.576 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.884 5.297 -2.442 1.00 0.12 C ATOM 1654 C ALA B 148 -12.182 4.719 -1.893 1.00 0.14 C ATOM 1655 O ALA B 148 -12.773 3.820 -2.487 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.718 4.949 -1.531 1.00 0.11 C ATOM 0 H ALA B 148 -10.217 7.255 -2.158 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.705 4.861 -3.425 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.643 3.866 -1.434 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.794 5.340 -1.957 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.880 5.391 -0.548 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.613 5.244 -0.748 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.851 4.809 -0.113 1.00 0.17 C ATOM 1664 C LYS B 149 -15.031 4.878 -1.085 1.00 0.17 C ATOM 1665 O LYS B 149 -15.953 4.068 -1.003 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.138 5.664 1.123 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.216 5.369 2.293 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.552 6.235 3.496 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.542 6.045 4.615 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.844 6.909 5.790 1.00 1.01 N ATOM 0 H LYS B 149 -12.118 5.976 -0.239 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.725 3.770 0.190 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -14.047 6.717 0.856 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.170 5.503 1.435 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.297 4.317 2.566 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.182 5.542 1.996 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.573 7.283 3.197 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.550 5.986 3.858 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.536 5.000 4.925 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.543 6.273 4.244 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.132 6.749 6.531 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.824 7.908 5.501 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.787 6.674 6.160 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.002 5.849 -1.999 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.069 5.997 -2.983 1.00 0.20 C ATOM 1686 C LYS B 150 -16.021 4.849 -3.977 1.00 0.21 C ATOM 1687 O LYS B 150 -17.041 4.227 -4.275 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.946 7.327 -3.728 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.997 8.543 -2.820 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.099 9.836 -3.618 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.402 9.918 -4.401 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.594 9.896 -3.507 1.00 1.99 N ATOM 0 H LYS B 150 -14.255 6.539 -2.076 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.023 5.983 -2.455 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.007 7.337 -4.282 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.749 7.398 -4.461 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.852 8.461 -2.149 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.104 8.569 -2.196 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.028 10.687 -2.941 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.257 9.905 -4.306 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.411 10.832 -4.995 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -17.458 9.083 -5.100 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.438 10.172 -4.048 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -18.725 8.937 -3.126 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -18.452 10.563 -2.722 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.826 4.579 -4.490 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.633 3.498 -5.442 1.00 0.16 C ATOM 1708 C LEU B 151 -15.031 2.176 -4.802 1.00 0.15 C ATOM 1709 O LEU B 151 -15.683 1.334 -5.419 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.169 3.452 -5.894 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.860 2.460 -7.019 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.878 2.579 -8.140 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.453 2.687 -7.550 1.00 0.18 C ATOM 0 H LEU B 151 -13.977 5.096 -4.261 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.261 3.671 -6.316 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.876 4.450 -6.221 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.548 3.204 -5.033 1.00 0.16 H new ATOM 0 HG LEU B 151 -12.921 1.451 -6.612 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.637 1.865 -8.927 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.874 2.368 -7.751 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.854 3.590 -8.548 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.246 1.975 -8.349 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.370 3.702 -7.938 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.733 2.547 -6.744 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.620 2.015 -3.554 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.927 0.825 -2.775 1.00 0.14 C ATOM 1727 C ASN B 152 -16.433 0.645 -2.633 1.00 0.17 C ATOM 1728 O ASN B 152 -16.975 -0.413 -2.950 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.282 0.939 -1.393 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.863 -0.036 -0.393 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -15.864 0.252 0.264 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -14.234 -1.193 -0.266 1.00 0.69 N ATOM 0 H ASN B 152 -14.063 2.707 -3.052 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.527 -0.046 -3.294 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.210 0.765 -1.482 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.410 1.955 -1.020 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -14.575 -1.889 0.397 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -13.408 -1.389 -0.831 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.100 1.687 -2.152 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.546 1.660 -1.965 1.00 0.23 C ATOM 1741 C ASP B 153 -19.264 1.495 -3.301 1.00 0.25 C ATOM 1742 O ASP B 153 -20.383 0.980 -3.357 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.012 2.945 -1.277 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.522 3.032 -1.174 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -21.087 2.446 -0.227 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -21.140 3.687 -2.039 1.00 2.25 O ATOM 0 H ASP B 153 -16.659 2.567 -1.883 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.792 0.806 -1.334 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.579 2.996 -0.278 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.638 3.806 -1.831 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.614 1.932 -4.373 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.186 1.834 -5.711 1.00 0.28 C ATOM 1753 C ALA B 154 -19.408 0.379 -6.107 1.00 0.30 C ATOM 1754 O ALA B 154 -20.444 0.030 -6.670 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.283 2.529 -6.718 1.00 0.28 C ATOM 0 H ALA B 154 -17.688 2.359 -4.342 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.156 2.331 -5.706 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.720 2.450 -7.714 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.180 3.580 -6.450 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.301 2.056 -6.714 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.425 -0.465 -5.806 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.511 -1.884 -6.127 1.00 0.35 C ATOM 1763 C GLN B 155 -19.100 -2.667 -4.959 1.00 0.36 C ATOM 1764 O GLN B 155 -19.617 -3.771 -5.134 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.128 -2.432 -6.474 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.426 -1.659 -7.577 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.050 -2.211 -7.891 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.898 -3.086 -8.743 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -14.038 -1.700 -7.200 1.00 0.39 N ATOM 0 H GLN B 155 -17.560 -0.190 -5.340 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.168 -1.999 -6.989 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.506 -2.417 -5.579 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.225 -3.474 -6.778 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.038 -1.684 -8.479 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.335 -0.614 -7.282 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.211 -0.976 -6.503 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.088 -2.032 -7.366 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.012 -2.086 -3.767 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.532 -2.720 -2.561 1.00 0.34 C ATOM 1780 C ALA B 156 -21.022 -3.029 -2.699 1.00 0.47 C ATOM 1781 O ALA B 156 -21.720 -2.388 -3.485 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.281 -1.827 -1.355 1.00 0.36 C ATOM 0 H ALA B 156 -18.584 -1.174 -3.610 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.009 -3.665 -2.417 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.672 -2.308 -0.458 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.210 -1.663 -1.240 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.781 -0.870 -1.501 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.531 -4.020 -1.939 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.946 -4.404 -1.995 1.00 0.68 C ATOM 1790 C PRO B 157 -23.879 -3.210 -1.828 1.00 0.79 C ATOM 1791 O PRO B 157 -24.626 -2.860 -2.743 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.102 -5.371 -0.819 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.739 -5.929 -0.600 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.773 -4.836 -0.971 1.00 0.48 C ATOM 0 HA PRO B 157 -23.210 -4.839 -2.959 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.466 -4.856 0.070 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.820 -6.159 -1.048 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.604 -6.231 0.439 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.578 -6.815 -1.214 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.474 -4.252 -0.101 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.861 -5.239 -1.413 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.827 -2.588 -0.655 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.663 -1.434 -0.363 1.00 1.17 C ATOM 1804 C LYS B 158 -24.175 -0.199 -1.114 1.00 1.23 C ATOM 1805 O LYS B 158 -23.301 0.513 -0.577 1.00 1.76 O ATOM 1806 CB LYS B 158 -24.679 -1.162 1.141 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.199 -2.328 1.955 1.00 1.69 C ATOM 1808 CD LYS B 158 -25.125 -2.053 3.447 1.00 2.47 C ATOM 1809 CE LYS B 158 -26.135 -0.999 3.861 1.00 3.07 C ATOM 1810 NZ LYS B 158 -26.136 -0.775 5.334 1.00 3.60 N ATOM 1811 OXT LYS B 158 -24.670 0.045 -2.234 1.00 1.64 O ATOM 0 H LYS B 158 -23.212 -2.866 0.110 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.677 -1.657 -0.697 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -23.668 -0.920 1.470 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.297 -0.286 1.338 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -26.232 -2.535 1.675 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -24.620 -3.221 1.721 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -25.310 -2.975 3.999 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -24.120 -1.721 3.709 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -25.910 -0.062 3.352 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -27.131 -1.305 3.540 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -26.840 -0.048 5.574 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -26.376 -1.663 5.820 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -25.193 -0.458 5.638 1.00 3.60 H new TER 1825 LYS B 158