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= -1.8 K(o=-6.4,f=-3.7) USER MOD Set 1.2: B 126 GLN : amide:sc= -4.52! C(o=-6.4!,f=-8.3!) USER MOD Set 1.3: B 155 GLN : amide:sc= -0.13 K(o=-6.4,f=-3.7) USER MOD Set 2.1: B 140 GLN : amide:sc= -0.602 K(o=-2.1,f=-3.9) USER MOD Set 2.2: B 143 ASN : amide:sc= -1.46 K(o=-2.1,f=-0.36) USER MOD Set 3.1: B 121 ASN : amide:sc= -2.74 K(o=-8.4,f=-5!) USER MOD Set 3.2: B 152 ASN : amide:sc= -5.61! K(o=-8.4!,f=-4.1) USER MOD Set 4.1: B 110 GLN : amide:sc= -8.17! C(o=-9.4!,f=-6.6!) USER MOD Set 4.2: B 113 SER OG : rot -36:sc= -1.21 USER MOD Set 5.1: A 23 ASN : amide:sc= -8.64! K(o=-16!,f=-4.9) USER MOD Set 5.2: A 26 GLN : amide:sc= -5.77! K(o=-16!,f=-12) USER MOD Set 5.3: A 55 GLN : amide:sc= -1.83 K(o=-16,f=-4.9) USER MOD Set 6.1: A 3 ASN : amide:sc= -2.02! K(o=-2!,f=-1.1) USER MOD Set 6.2: A 35 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.219) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -0.59 (180deg=-0.68) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0758) USER MOD Single : A 6 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0061) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.79! K(o=-3.8!,f=-4.9) USER MOD Single : A 10 GLN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.84) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 18 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.018) USER MOD Single : A 21 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.9) USER MOD Single : A 28 ASN : amide:sc= -8.89! C(o=-8.9!,f=-6.3!) USER MOD Single : A 32 GLN : amide:sc= -3.34! C(o=-3.3!,f=-2.3!) USER MOD Single : A 33 SER OG : rot 83:sc= 0.0447 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.057) USER MOD Single : A 41 SER OG : rot 87:sc= 0.81 USER MOD Single : A 43 ASN : amide:sc= -0.648 K(o=-0.65,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.85 K(o=-2.9,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0243 (180deg=-0.171) USER MOD Single : B 103 ASN : amide:sc= -0.51 K(o=-0.51,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 165:sc=0.000784 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= -0.0876 X(o=-0.088,f=0.15) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 160:sc= -0.0417 USER MOD Single : B 118 THR OG1 : rot -17:sc= 0.915 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.107 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 141 SER OG : rot 119:sc= 1.02 USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 159:sc= -0.0954 (180deg=-0.59) USER MOD Single : B 158 LYS NZ :NH3+ -167:sc= -0.0403 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.877 -17.612 3.039 1.00 6.84 N ATOM 2 CA VAL A 1 -10.876 -17.001 1.686 1.00 6.39 C ATOM 3 C VAL A 1 -9.806 -15.920 1.568 1.00 5.45 C ATOM 4 O VAL A 1 -9.826 -15.111 0.640 1.00 5.57 O ATOM 5 CB VAL A 1 -12.250 -16.387 1.349 1.00 7.06 C ATOM 6 CG1 VAL A 1 -13.316 -17.471 1.277 1.00 7.37 C ATOM 7 CG2 VAL A 1 -12.628 -15.326 2.371 1.00 7.36 C ATOM 0 H1 VAL A 1 -11.668 -18.282 3.117 1.00 6.84 H new ATOM 0 H2 VAL A 1 -9.980 -18.116 3.193 1.00 6.84 H new ATOM 0 H3 VAL A 1 -10.983 -16.867 3.756 1.00 6.84 H new ATOM 0 HA VAL A 1 -10.657 -17.800 0.978 1.00 6.39 H new ATOM 0 HB VAL A 1 -12.183 -15.909 0.372 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -14.279 -17.019 1.038 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -13.051 -18.191 0.503 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -13.383 -17.980 2.238 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -13.600 -14.905 2.116 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -12.677 -15.777 3.362 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -11.878 -14.535 2.369 1.00 7.36 H new ATOM 19 N ASP A 2 -8.871 -15.912 2.517 1.00 4.87 N ATOM 20 CA ASP A 2 -7.787 -14.934 2.522 1.00 4.23 C ATOM 21 C ASP A 2 -8.332 -13.508 2.551 1.00 3.33 C ATOM 22 O ASP A 2 -9.506 -13.289 2.851 1.00 3.72 O ATOM 23 CB ASP A 2 -6.892 -15.130 1.295 1.00 5.03 C ATOM 24 CG ASP A 2 -6.258 -16.507 1.258 1.00 5.73 C ATOM 25 OD1 ASP A 2 -5.154 -16.667 1.818 1.00 6.07 O ATOM 26 OD2 ASP A 2 -6.868 -17.425 0.668 1.00 6.23 O ATOM 0 H ASP A 2 -8.843 -16.573 3.293 1.00 4.87 H new ATOM 0 HA ASP A 2 -7.196 -15.090 3.424 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -7.481 -14.980 0.391 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -6.109 -14.372 1.295 1.00 5.03 H new ATOM 31 N ASN A 3 -7.467 -12.542 2.243 1.00 2.66 N ATOM 32 CA ASN A 3 -7.850 -11.133 2.229 1.00 2.31 C ATOM 33 C ASN A 3 -8.364 -10.687 3.594 1.00 1.47 C ATOM 34 O ASN A 3 -8.998 -9.638 3.716 1.00 2.12 O ATOM 35 CB ASN A 3 -8.918 -10.883 1.164 1.00 2.82 C ATOM 36 CG ASN A 3 -8.957 -9.435 0.722 1.00 3.16 C ATOM 37 OD1 ASN A 3 -10.016 -8.899 0.401 1.00 3.78 O ATOM 38 ND2 ASN A 3 -7.793 -8.796 0.699 1.00 3.18 N ATOM 0 H ASN A 3 -6.491 -12.712 1.999 1.00 2.66 H new ATOM 0 HA ASN A 3 -6.962 -10.548 1.990 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -8.724 -11.520 0.301 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -9.894 -11.168 1.557 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -7.753 -7.820 0.406 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -6.939 -9.281 0.974 1.00 3.18 H new ATOM 45 N LYS A 4 -8.087 -11.487 4.615 1.00 0.80 N ATOM 46 CA LYS A 4 -8.520 -11.177 5.973 1.00 1.31 C ATOM 47 C LYS A 4 -7.689 -10.048 6.578 1.00 1.28 C ATOM 48 O LYS A 4 -8.037 -9.502 7.624 1.00 2.13 O ATOM 49 CB LYS A 4 -8.415 -12.424 6.847 1.00 2.13 C ATOM 50 CG LYS A 4 -9.209 -13.604 6.312 1.00 2.28 C ATOM 51 CD LYS A 4 -10.706 -13.391 6.483 1.00 3.10 C ATOM 52 CE LYS A 4 -11.506 -14.540 5.890 1.00 3.72 C ATOM 53 NZ LYS A 4 -11.268 -15.818 6.615 1.00 4.09 N ATOM 0 H LYS A 4 -7.563 -12.358 4.529 1.00 0.80 H new ATOM 0 HA LYS A 4 -9.558 -10.846 5.930 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -7.367 -12.710 6.934 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -8.765 -12.185 7.851 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -8.979 -13.750 5.257 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -8.908 -14.513 6.833 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -10.941 -13.292 7.543 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -10.998 -12.457 6.003 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -12.568 -14.297 5.923 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -11.239 -14.664 4.840 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -11.918 -16.547 6.257 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -10.286 -16.125 6.463 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -11.433 -15.676 7.632 1.00 4.09 H new ATOM 67 N PHE A 5 -6.588 -9.708 5.910 1.00 0.53 N ATOM 68 CA PHE A 5 -5.699 -8.647 6.378 1.00 0.42 C ATOM 69 C PHE A 5 -5.132 -8.985 7.754 1.00 0.40 C ATOM 70 O PHE A 5 -5.321 -8.241 8.716 1.00 0.49 O ATOM 71 CB PHE A 5 -6.441 -7.307 6.430 1.00 0.34 C ATOM 72 CG PHE A 5 -7.089 -6.924 5.130 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.317 -6.623 4.020 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.469 -6.864 5.017 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.908 -6.269 2.822 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.066 -6.511 3.821 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.293 -6.218 2.726 1.00 0.40 C ATOM 0 H PHE A 5 -6.290 -10.153 5.042 1.00 0.53 H new ATOM 0 HA PHE A 5 -4.872 -8.563 5.673 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.205 -7.355 7.206 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.740 -6.525 6.721 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.240 -6.665 4.092 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.085 -7.096 5.873 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.296 -6.033 1.964 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.143 -6.466 3.749 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.761 -5.948 1.791 1.00 0.40 H new ATOM 87 N ASN A 6 -4.432 -10.112 7.837 1.00 0.35 N ATOM 88 CA ASN A 6 -3.841 -10.558 9.093 1.00 0.37 C ATOM 89 C ASN A 6 -2.736 -9.613 9.556 1.00 0.37 C ATOM 90 O ASN A 6 -2.549 -8.533 8.993 1.00 0.36 O ATOM 91 CB ASN A 6 -3.285 -11.975 8.946 1.00 0.36 C ATOM 92 CG ASN A 6 -4.353 -12.984 8.579 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.073 -13.992 7.929 1.00 1.73 O ATOM 94 ND2 ASN A 6 -5.585 -12.722 8.992 1.00 1.69 N ATOM 0 H ASN A 6 -4.260 -10.734 7.047 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.628 -10.556 9.847 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.508 -11.979 8.181 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.813 -12.275 9.882 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -6.344 -13.367 8.774 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -5.774 -11.875 9.528 1.00 1.69 H new ATOM 101 N LYS A 7 -2.005 -10.029 10.585 1.00 0.40 N ATOM 102 CA LYS A 7 -0.920 -9.222 11.133 1.00 0.43 C ATOM 103 C LYS A 7 0.234 -9.112 10.143 1.00 0.40 C ATOM 104 O LYS A 7 0.711 -8.014 9.857 1.00 0.38 O ATOM 105 CB LYS A 7 -0.428 -9.826 12.452 1.00 0.52 C ATOM 106 CG LYS A 7 0.682 -9.026 13.123 1.00 0.58 C ATOM 107 CD LYS A 7 0.235 -7.611 13.472 1.00 0.60 C ATOM 108 CE LYS A 7 -0.920 -7.613 14.463 1.00 1.39 C ATOM 109 NZ LYS A 7 -1.306 -6.233 14.869 1.00 1.90 N ATOM 0 H LYS A 7 -2.145 -10.922 11.057 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.303 -8.219 11.321 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.270 -9.907 13.139 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.070 -10.839 12.265 1.00 0.52 H new ATOM 0 HG2 LYS A 7 1.001 -9.539 14.030 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.547 -8.980 12.461 1.00 0.58 H new ATOM 0 HD2 LYS A 7 1.075 -7.058 13.893 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.066 -7.090 12.563 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -1.779 -8.114 14.018 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -0.639 -8.186 15.347 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -2.096 -6.278 15.544 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.494 -5.763 15.317 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -1.599 -5.693 14.030 1.00 1.90 H new ATOM 123 N GLU A 8 0.683 -10.252 9.627 1.00 0.43 N ATOM 124 CA GLU A 8 1.782 -10.272 8.666 1.00 0.43 C ATOM 125 C GLU A 8 1.395 -9.529 7.394 1.00 0.37 C ATOM 126 O GLU A 8 2.242 -8.927 6.733 1.00 0.39 O ATOM 127 CB GLU A 8 2.175 -11.710 8.328 1.00 0.47 C ATOM 128 CG GLU A 8 2.532 -12.548 9.545 1.00 0.52 C ATOM 129 CD GLU A 8 3.011 -13.937 9.174 1.00 1.03 C ATOM 130 OE1 GLU A 8 2.156 -14.808 8.904 1.00 0.95 O ATOM 131 OE2 GLU A 8 4.240 -14.155 9.153 1.00 1.80 O ATOM 0 H GLU A 8 0.305 -11.171 9.857 1.00 0.43 H new ATOM 0 HA GLU A 8 2.637 -9.771 9.120 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.351 -12.188 7.798 1.00 0.47 H new ATOM 0 HB3 GLU A 8 3.026 -11.694 7.647 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.309 -12.040 10.116 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.660 -12.629 10.194 1.00 0.52 H new ATOM 138 N GLN A 9 0.111 -9.578 7.057 1.00 0.34 N ATOM 139 CA GLN A 9 -0.393 -8.905 5.868 1.00 0.33 C ATOM 140 C GLN A 9 -0.328 -7.393 6.051 1.00 0.30 C ATOM 141 O GLN A 9 -0.122 -6.646 5.094 1.00 0.32 O ATOM 142 CB GLN A 9 -1.831 -9.342 5.585 1.00 0.36 C ATOM 143 CG GLN A 9 -2.250 -9.153 4.138 1.00 0.38 C ATOM 144 CD GLN A 9 -3.641 -9.687 3.858 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.097 -10.632 4.502 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.320 -9.089 2.887 1.00 0.50 N ATOM 0 H GLN A 9 -0.600 -10.078 7.592 1.00 0.34 H new ATOM 0 HA GLN A 9 0.231 -9.181 5.018 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.942 -10.393 5.852 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.507 -8.777 6.227 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.215 -8.092 3.889 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.534 -9.656 3.488 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.903 -8.309 2.379 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.259 -9.409 2.649 1.00 0.50 H new ATOM 155 N GLN A 10 -0.504 -6.954 7.294 1.00 0.27 N ATOM 156 CA GLN A 10 -0.460 -5.535 7.625 1.00 0.25 C ATOM 157 C GLN A 10 0.983 -5.054 7.725 1.00 0.23 C ATOM 158 O GLN A 10 1.320 -3.963 7.264 1.00 0.26 O ATOM 159 CB GLN A 10 -1.194 -5.281 8.943 1.00 0.26 C ATOM 160 CG GLN A 10 -1.401 -3.809 9.256 1.00 0.26 C ATOM 161 CD GLN A 10 -2.062 -3.586 10.603 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.389 -3.507 11.630 1.00 1.18 O ATOM 163 NE2 GLN A 10 -3.386 -3.472 10.602 1.00 0.89 N ATOM 0 H GLN A 10 -0.679 -7.565 8.092 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.956 -4.977 6.831 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.165 -5.775 8.909 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.631 -5.740 9.756 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.438 -3.299 9.239 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.014 -3.358 8.476 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.903 -3.544 9.726 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.885 -3.312 11.477 1.00 0.89 H new ATOM 172 N ASN A 11 1.830 -5.879 8.330 1.00 0.24 N ATOM 173 CA ASN A 11 3.240 -5.549 8.489 1.00 0.23 C ATOM 174 C ASN A 11 3.922 -5.443 7.131 1.00 0.21 C ATOM 175 O ASN A 11 4.717 -4.535 6.893 1.00 0.22 O ATOM 176 CB ASN A 11 3.941 -6.606 9.345 1.00 0.27 C ATOM 177 CG ASN A 11 3.378 -6.678 10.752 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.902 -5.681 11.294 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.432 -7.861 11.350 1.00 0.82 N ATOM 0 H ASN A 11 1.563 -6.783 8.719 1.00 0.24 H new ATOM 0 HA ASN A 11 3.311 -4.584 8.991 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.842 -7.581 8.867 1.00 0.27 H new ATOM 0 HB3 ASN A 11 5.007 -6.382 9.394 1.00 0.27 H new ATOM 0 HD21 ASN A 11 3.070 -7.971 12.297 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.836 -8.661 10.862 1.00 0.82 H new ATOM 186 N ALA A 12 3.605 -6.382 6.244 1.00 0.19 N ATOM 187 CA ALA A 12 4.180 -6.397 4.905 1.00 0.18 C ATOM 188 C ALA A 12 3.847 -5.115 4.153 1.00 0.15 C ATOM 189 O ALA A 12 4.670 -4.587 3.409 1.00 0.20 O ATOM 190 CB ALA A 12 3.683 -7.611 4.133 1.00 0.22 C ATOM 0 H ALA A 12 2.952 -7.143 6.430 1.00 0.19 H new ATOM 0 HA ALA A 12 5.264 -6.460 5.000 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.120 -7.611 3.134 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.976 -8.521 4.657 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.597 -7.572 4.054 1.00 0.22 H new ATOM 196 N PHE A 13 2.631 -4.621 4.359 1.00 0.13 N ATOM 197 CA PHE A 13 2.178 -3.397 3.710 1.00 0.11 C ATOM 198 C PHE A 13 3.067 -2.217 4.094 1.00 0.11 C ATOM 199 O PHE A 13 3.721 -1.615 3.243 1.00 0.15 O ATOM 200 CB PHE A 13 0.724 -3.115 4.101 1.00 0.14 C ATOM 201 CG PHE A 13 0.186 -1.816 3.570 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.352 -1.741 2.294 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.208 -0.672 4.351 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.856 -0.549 1.809 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.293 0.520 3.870 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.825 0.582 2.599 1.00 0.11 C ATOM 0 H PHE A 13 1.939 -5.052 4.973 1.00 0.13 H new ATOM 0 HA PHE A 13 2.242 -3.530 2.630 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.097 -3.930 3.739 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.646 -3.111 5.188 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.377 -2.624 1.672 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.622 -0.714 5.348 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.273 -0.503 0.814 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.269 1.405 4.489 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.217 1.515 2.222 1.00 0.11 H new ATOM 216 N TYR A 14 3.087 -1.902 5.385 1.00 0.11 N ATOM 217 CA TYR A 14 3.882 -0.790 5.899 1.00 0.13 C ATOM 218 C TYR A 14 5.359 -0.930 5.539 1.00 0.13 C ATOM 219 O TYR A 14 5.965 0.002 5.011 1.00 0.17 O ATOM 220 CB TYR A 14 3.725 -0.694 7.417 1.00 0.16 C ATOM 221 CG TYR A 14 2.334 -0.299 7.852 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.790 0.930 7.496 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.561 -1.158 8.619 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.516 1.288 7.893 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.286 -0.807 9.022 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.225 0.441 8.650 1.00 0.33 C ATOM 227 OH TYR A 14 -1.500 0.769 9.052 1.00 0.42 O ATOM 0 H TYR A 14 2.559 -2.404 6.099 1.00 0.11 H new ATOM 0 HA TYR A 14 3.512 0.122 5.431 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.978 -1.656 7.863 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.439 0.033 7.803 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.373 1.616 6.899 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.962 -2.118 8.907 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.109 2.245 7.600 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.307 -1.487 9.616 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.873 0.037 9.586 1.00 0.42 H new ATOM 237 N GLU A 15 5.931 -2.095 5.825 1.00 0.11 N ATOM 238 CA GLU A 15 7.342 -2.349 5.540 1.00 0.12 C ATOM 239 C GLU A 15 7.683 -2.020 4.090 1.00 0.12 C ATOM 240 O GLU A 15 8.800 -1.603 3.786 1.00 0.19 O ATOM 241 CB GLU A 15 7.692 -3.807 5.844 1.00 0.13 C ATOM 242 CG GLU A 15 7.719 -4.132 7.330 1.00 0.19 C ATOM 243 CD GLU A 15 8.739 -3.305 8.089 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.904 -3.743 8.188 1.00 1.08 O ATOM 245 OE2 GLU A 15 8.371 -2.219 8.585 1.00 2.16 O ATOM 0 H GLU A 15 5.440 -2.880 6.254 1.00 0.11 H new ATOM 0 HA GLU A 15 7.934 -1.698 6.183 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.967 -4.456 5.352 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.667 -4.035 5.413 1.00 0.13 H new ATOM 0 HG2 GLU A 15 6.730 -3.960 7.754 1.00 0.19 H new ATOM 0 HG3 GLU A 15 7.943 -5.190 7.463 1.00 0.19 H new ATOM 252 N ILE A 16 6.716 -2.211 3.200 1.00 0.10 N ATOM 253 CA ILE A 16 6.917 -1.925 1.785 1.00 0.09 C ATOM 254 C ILE A 16 6.887 -0.422 1.523 1.00 0.12 C ATOM 255 O ILE A 16 7.625 0.086 0.678 1.00 0.16 O ATOM 256 CB ILE A 16 5.851 -2.629 0.916 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.147 -4.129 0.844 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.797 -2.021 -0.481 1.00 0.12 C ATOM 259 CD1 ILE A 16 5.034 -4.941 0.217 1.00 0.14 C ATOM 0 H ILE A 16 5.787 -2.562 3.433 1.00 0.10 H new ATOM 0 HA ILE A 16 7.899 -2.311 1.511 1.00 0.09 H new ATOM 0 HB ILE A 16 4.874 -2.484 1.378 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.062 -4.282 0.273 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.334 -4.502 1.851 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.039 -2.535 -1.072 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.545 -0.963 -0.408 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.768 -2.130 -0.963 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.316 -5.994 0.201 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.121 -4.819 0.800 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.862 -4.596 -0.802 1.00 0.14 H new ATOM 271 N LEU A 17 6.035 0.286 2.257 1.00 0.14 N ATOM 272 CA LEU A 17 5.913 1.730 2.105 1.00 0.19 C ATOM 273 C LEU A 17 7.132 2.450 2.682 1.00 0.18 C ATOM 274 O LEU A 17 7.484 3.543 2.242 1.00 0.26 O ATOM 275 CB LEU A 17 4.643 2.238 2.792 1.00 0.27 C ATOM 276 CG LEU A 17 3.389 2.231 1.917 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.723 0.864 1.944 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.420 3.310 2.372 1.00 0.77 C ATOM 0 H LEU A 17 5.419 -0.117 2.963 1.00 0.14 H new ATOM 0 HA LEU A 17 5.854 1.946 1.038 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.456 1.626 3.674 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.819 3.256 3.141 1.00 0.27 H new ATOM 0 HG LEU A 17 3.684 2.444 0.890 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.833 0.880 1.315 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.418 0.113 1.569 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.440 0.617 2.967 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.533 3.292 1.739 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.132 3.127 3.407 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.900 4.286 2.296 1.00 0.77 H new ATOM 290 N HIS A 18 7.778 1.823 3.661 1.00 0.16 N ATOM 291 CA HIS A 18 8.948 2.408 4.312 1.00 0.16 C ATOM 292 C HIS A 18 10.183 2.380 3.412 1.00 0.13 C ATOM 293 O HIS A 18 11.154 3.093 3.666 1.00 0.15 O ATOM 294 CB HIS A 18 9.244 1.678 5.623 1.00 0.17 C ATOM 295 CG HIS A 18 8.347 2.082 6.752 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.819 2.408 8.006 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.001 2.215 6.813 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.802 2.722 8.790 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.689 2.613 8.090 1.00 0.33 N ATOM 0 H HIS A 18 7.511 0.907 4.022 1.00 0.16 H new ATOM 0 HA HIS A 18 8.714 3.452 4.519 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.148 0.604 5.461 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.279 1.866 5.908 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.303 2.041 6.008 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.871 3.017 9.827 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.749 2.795 8.441 1.00 0.33 H new ATOM 308 N LEU A 19 10.147 1.560 2.366 1.00 0.14 N ATOM 309 CA LEU A 19 11.276 1.454 1.446 1.00 0.14 C ATOM 310 C LEU A 19 11.499 2.777 0.706 1.00 0.16 C ATOM 311 O LEU A 19 10.661 3.192 -0.095 1.00 0.18 O ATOM 312 CB LEU A 19 11.041 0.316 0.449 1.00 0.12 C ATOM 313 CG LEU A 19 10.911 -1.075 1.078 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.610 -2.120 0.016 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.180 -1.439 1.837 1.00 0.12 C ATOM 0 H LEU A 19 9.354 0.962 2.135 1.00 0.14 H new ATOM 0 HA LEU A 19 12.173 1.233 2.025 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.134 0.529 -0.117 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.865 0.301 -0.264 1.00 0.12 H new ATOM 0 HG LEU A 19 10.080 -1.053 1.783 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.522 -3.100 0.485 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.674 -1.871 -0.484 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.418 -2.139 -0.715 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.069 -2.430 2.277 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.027 -1.439 1.151 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.353 -0.709 2.627 1.00 0.12 H new ATOM 327 N PRO A 20 12.637 3.457 0.966 1.00 0.18 N ATOM 328 CA PRO A 20 12.953 4.741 0.332 1.00 0.21 C ATOM 329 C PRO A 20 13.517 4.592 -1.078 1.00 0.21 C ATOM 330 O PRO A 20 13.073 5.269 -2.005 1.00 0.23 O ATOM 331 CB PRO A 20 14.006 5.329 1.268 1.00 0.24 C ATOM 332 CG PRO A 20 14.721 4.142 1.816 1.00 0.22 C ATOM 333 CD PRO A 20 13.703 3.033 1.899 1.00 0.19 C ATOM 0 HA PRO A 20 12.065 5.360 0.204 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.687 5.991 0.733 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.547 5.918 2.062 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.553 3.858 1.172 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.139 4.360 2.799 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.132 2.075 1.606 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.322 2.915 2.914 1.00 0.19 H new ATOM 341 N ASN A 21 14.497 3.706 -1.237 1.00 0.20 N ATOM 342 CA ASN A 21 15.119 3.482 -2.536 1.00 0.21 C ATOM 343 C ASN A 21 14.107 2.921 -3.527 1.00 0.20 C ATOM 344 O ASN A 21 14.327 2.947 -4.738 1.00 0.23 O ATOM 345 CB ASN A 21 16.313 2.537 -2.398 1.00 0.21 C ATOM 346 CG ASN A 21 17.390 3.105 -1.493 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.585 4.318 -1.426 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.092 2.228 -0.788 1.00 0.26 N ATOM 0 H ASN A 21 14.876 3.133 -0.483 1.00 0.20 H new ATOM 0 HA ASN A 21 15.475 4.439 -2.917 1.00 0.21 H new ATOM 0 HB2 ASN A 21 15.973 1.581 -2.000 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.735 2.341 -3.384 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.827 2.551 -0.159 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.896 1.231 -0.875 1.00 0.26 H new ATOM 355 N LEU A 22 12.997 2.415 -3.002 1.00 0.18 N ATOM 356 CA LEU A 22 11.941 1.859 -3.837 1.00 0.17 C ATOM 357 C LEU A 22 11.054 2.980 -4.366 1.00 0.20 C ATOM 358 O LEU A 22 10.569 3.809 -3.596 1.00 0.26 O ATOM 359 CB LEU A 22 11.100 0.864 -3.036 1.00 0.17 C ATOM 360 CG LEU A 22 10.473 -0.266 -3.854 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.489 -1.373 -4.094 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.241 -0.812 -3.148 1.00 0.26 C ATOM 0 H LEU A 22 12.806 2.379 -2.001 1.00 0.18 H new ATOM 0 HA LEU A 22 12.397 1.336 -4.678 1.00 0.17 H new ATOM 0 HB2 LEU A 22 11.727 0.425 -2.260 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.304 1.410 -2.531 1.00 0.17 H new ATOM 0 HG LEU A 22 10.165 0.133 -4.820 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.028 -2.170 -4.677 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.343 -0.971 -4.640 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.825 -1.772 -3.137 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.807 -1.615 -3.743 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.524 -1.198 -2.169 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.508 -0.014 -3.026 1.00 0.26 H new ATOM 374 N ASN A 23 10.843 3.004 -5.677 1.00 0.22 N ATOM 375 CA ASN A 23 10.015 4.041 -6.285 1.00 0.27 C ATOM 376 C ASN A 23 8.542 3.653 -6.261 1.00 0.24 C ATOM 377 O ASN A 23 8.174 2.619 -5.704 1.00 0.29 O ATOM 378 CB ASN A 23 10.461 4.328 -7.719 1.00 0.33 C ATOM 379 CG ASN A 23 10.651 3.066 -8.532 1.00 0.75 C ATOM 380 OD1 ASN A 23 11.748 2.514 -8.590 1.00 1.59 O ATOM 381 ND2 ASN A 23 9.581 2.605 -9.165 1.00 1.33 N ATOM 0 H ASN A 23 11.229 2.326 -6.334 1.00 0.22 H new ATOM 0 HA ASN A 23 10.141 4.949 -5.695 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.720 4.962 -8.206 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.396 4.888 -7.700 1.00 0.33 H new ATOM 0 HD21 ASN A 23 9.648 1.758 -9.730 1.00 1.33 H new ATOM 0 HD22 ASN A 23 8.691 3.097 -9.087 1.00 1.33 H new ATOM 388 N GLU A 24 7.707 4.485 -6.869 1.00 0.29 N ATOM 389 CA GLU A 24 6.272 4.236 -6.904 1.00 0.29 C ATOM 390 C GLU A 24 5.922 3.068 -7.821 1.00 0.24 C ATOM 391 O GLU A 24 5.024 2.287 -7.522 1.00 0.22 O ATOM 392 CB GLU A 24 5.532 5.492 -7.349 1.00 0.36 C ATOM 393 CG GLU A 24 5.931 5.937 -8.732 1.00 1.23 C ATOM 394 CD GLU A 24 5.650 7.405 -8.983 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.521 7.729 -9.410 1.00 2.17 O ATOM 396 OE2 GLU A 24 6.557 8.232 -8.748 1.00 1.25 O ATOM 0 H GLU A 24 7.999 5.339 -7.345 1.00 0.29 H new ATOM 0 HA GLU A 24 5.958 3.970 -5.895 1.00 0.29 H new ATOM 0 HB2 GLU A 24 4.458 5.304 -7.327 1.00 0.36 H new ATOM 0 HB3 GLU A 24 5.730 6.297 -6.641 1.00 0.36 H new ATOM 0 HG2 GLU A 24 6.994 5.746 -8.877 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.396 5.339 -9.469 1.00 1.23 H new ATOM 403 N GLU A 25 6.631 2.947 -8.938 1.00 0.27 N ATOM 404 CA GLU A 25 6.366 1.873 -9.890 1.00 0.28 C ATOM 405 C GLU A 25 6.623 0.503 -9.270 1.00 0.24 C ATOM 406 O GLU A 25 5.838 -0.427 -9.458 1.00 0.30 O ATOM 407 CB GLU A 25 7.222 2.050 -11.146 1.00 0.36 C ATOM 408 CG GLU A 25 6.999 3.377 -11.850 1.00 0.91 C ATOM 409 CD GLU A 25 7.902 3.559 -13.054 1.00 1.60 C ATOM 410 OE1 GLU A 25 7.533 3.086 -14.150 1.00 2.00 O ATOM 411 OE2 GLU A 25 8.978 4.173 -12.902 1.00 2.20 O ATOM 0 H GLU A 25 7.389 3.575 -9.206 1.00 0.27 H new ATOM 0 HA GLU A 25 5.313 1.927 -10.166 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.274 1.965 -10.874 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.006 1.238 -11.841 1.00 0.36 H new ATOM 0 HG2 GLU A 25 5.959 3.445 -12.168 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.171 4.191 -11.146 1.00 0.91 H new ATOM 418 N GLN A 26 7.719 0.380 -8.531 1.00 0.18 N ATOM 419 CA GLN A 26 8.066 -0.881 -7.888 1.00 0.15 C ATOM 420 C GLN A 26 7.152 -1.138 -6.700 1.00 0.13 C ATOM 421 O GLN A 26 6.576 -2.217 -6.567 1.00 0.16 O ATOM 422 CB GLN A 26 9.530 -0.862 -7.447 1.00 0.15 C ATOM 423 CG GLN A 26 10.496 -0.782 -8.616 1.00 0.19 C ATOM 424 CD GLN A 26 11.911 -0.425 -8.205 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.658 0.170 -8.980 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.288 -0.786 -6.986 1.00 1.59 N ATOM 0 H GLN A 26 8.382 1.137 -8.362 1.00 0.18 H new ATOM 0 HA GLN A 26 7.931 -1.690 -8.606 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.695 -0.011 -6.787 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.742 -1.761 -6.867 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.507 -1.741 -9.135 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.134 -0.039 -9.327 1.00 0.19 H new ATOM 0 HE21 GLN A 26 11.636 -1.278 -6.375 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.230 -0.571 -6.659 1.00 1.59 H new ATOM 435 N ARG A 27 7.022 -0.132 -5.847 1.00 0.13 N ATOM 436 CA ARG A 27 6.170 -0.226 -4.666 1.00 0.13 C ATOM 437 C ARG A 27 4.748 -0.624 -5.048 1.00 0.14 C ATOM 438 O ARG A 27 4.164 -1.528 -4.451 1.00 0.23 O ATOM 439 CB ARG A 27 6.140 1.114 -3.931 1.00 0.14 C ATOM 440 CG ARG A 27 5.176 1.143 -2.757 1.00 0.18 C ATOM 441 CD ARG A 27 4.828 2.566 -2.364 1.00 0.41 C ATOM 442 NE ARG A 27 4.174 3.296 -3.447 1.00 1.59 N ATOM 443 CZ ARG A 27 4.493 4.541 -3.789 1.00 1.94 C ATOM 444 NH1 ARG A 27 5.451 5.187 -3.137 1.00 1.37 N ATOM 445 NH2 ARG A 27 3.856 5.143 -4.782 1.00 3.04 N ATOM 0 H ARG A 27 7.498 0.764 -5.950 1.00 0.13 H new ATOM 0 HA ARG A 27 6.585 -0.993 -4.013 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.143 1.345 -3.572 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.865 1.899 -4.635 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.266 0.603 -3.018 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.620 0.627 -1.906 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.174 2.550 -1.492 1.00 0.41 H new ATOM 0 HD3 ARG A 27 5.736 3.092 -2.071 1.00 0.41 H new ATOM 0 HE ARG A 27 3.434 2.826 -3.968 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.945 4.729 -2.371 1.00 1.37 H new ATOM 0 HH12 ARG A 27 5.694 6.142 -3.402 1.00 1.37 H new ATOM 0 HH21 ARG A 27 3.118 4.652 -5.287 1.00 3.04 H new ATOM 0 HH22 ARG A 27 4.103 6.098 -5.042 1.00 3.04 H new ATOM 459 N ASN A 28 4.199 0.062 -6.044 1.00 0.13 N ATOM 460 CA ASN A 28 2.842 -0.202 -6.506 1.00 0.15 C ATOM 461 C ASN A 28 2.691 -1.636 -6.999 1.00 0.15 C ATOM 462 O ASN A 28 1.635 -2.246 -6.836 1.00 0.21 O ATOM 463 CB ASN A 28 2.455 0.773 -7.619 1.00 0.19 C ATOM 464 CG ASN A 28 2.137 2.161 -7.098 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.220 2.820 -7.587 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.900 2.623 -6.112 1.00 0.19 N ATOM 0 H ASN A 28 4.676 0.809 -6.549 1.00 0.13 H new ATOM 0 HA ASN A 28 2.173 -0.061 -5.657 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.271 0.838 -8.339 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.589 0.383 -8.153 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.735 3.556 -5.733 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.650 2.045 -5.734 1.00 0.19 H new ATOM 473 N ALA A 29 3.745 -2.168 -7.606 1.00 0.12 N ATOM 474 CA ALA A 29 3.715 -3.532 -8.117 1.00 0.12 C ATOM 475 C ALA A 29 3.636 -4.536 -6.975 1.00 0.11 C ATOM 476 O ALA A 29 3.005 -5.585 -7.101 1.00 0.15 O ATOM 477 CB ALA A 29 4.931 -3.804 -8.985 1.00 0.15 C ATOM 0 H ALA A 29 4.627 -1.678 -7.756 1.00 0.12 H new ATOM 0 HA ALA A 29 2.822 -3.645 -8.731 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.891 -4.828 -9.357 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.939 -3.112 -9.827 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.837 -3.668 -8.395 1.00 0.15 H new ATOM 483 N PHE A 30 4.283 -4.209 -5.860 1.00 0.10 N ATOM 484 CA PHE A 30 4.272 -5.082 -4.693 1.00 0.10 C ATOM 485 C PHE A 30 2.933 -4.985 -3.973 1.00 0.12 C ATOM 486 O PHE A 30 2.375 -5.995 -3.543 1.00 0.18 O ATOM 487 CB PHE A 30 5.422 -4.732 -3.746 1.00 0.12 C ATOM 488 CG PHE A 30 6.766 -5.159 -4.266 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.093 -6.503 -4.348 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.698 -4.221 -4.676 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.324 -6.903 -4.831 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.932 -4.615 -5.159 1.00 0.21 C ATOM 493 CZ PHE A 30 9.244 -5.958 -5.237 1.00 0.20 C ATOM 0 H PHE A 30 4.819 -3.349 -5.741 1.00 0.10 H new ATOM 0 HA PHE A 30 4.410 -6.110 -5.028 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.430 -3.655 -3.577 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.246 -5.205 -2.780 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.377 -7.247 -4.031 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.458 -3.170 -4.618 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.566 -7.954 -4.891 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.651 -3.874 -5.475 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.207 -6.268 -5.615 1.00 0.20 H new ATOM 503 N ILE A 31 2.421 -3.763 -3.846 1.00 0.10 N ATOM 504 CA ILE A 31 1.133 -3.537 -3.201 1.00 0.11 C ATOM 505 C ILE A 31 0.037 -4.249 -3.982 1.00 0.11 C ATOM 506 O ILE A 31 -0.865 -4.858 -3.406 1.00 0.16 O ATOM 507 CB ILE A 31 0.807 -2.028 -3.105 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.746 -1.348 -2.102 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.650 -1.808 -2.714 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.526 0.145 -1.970 1.00 0.13 C ATOM 0 H ILE A 31 2.879 -2.916 -4.181 1.00 0.10 H new ATOM 0 HA ILE A 31 1.187 -3.937 -2.188 1.00 0.11 H new ATOM 0 HB ILE A 31 0.960 -1.580 -4.087 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.615 -1.812 -1.125 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.777 -1.528 -2.405 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.853 -0.739 -2.653 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.300 -2.259 -3.464 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.840 -2.269 -1.745 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.228 0.553 -1.243 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.686 0.623 -2.936 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.506 0.334 -1.636 1.00 0.13 H new ATOM 522 N GLN A 32 0.131 -4.160 -5.304 1.00 0.08 N ATOM 523 CA GLN A 32 -0.824 -4.795 -6.197 1.00 0.09 C ATOM 524 C GLN A 32 -0.885 -6.301 -5.949 1.00 0.11 C ATOM 525 O GLN A 32 -1.947 -6.850 -5.658 1.00 0.19 O ATOM 526 CB GLN A 32 -0.421 -4.526 -7.646 1.00 0.11 C ATOM 527 CG GLN A 32 -1.594 -4.499 -8.605 1.00 0.15 C ATOM 528 CD GLN A 32 -1.175 -4.221 -10.030 1.00 0.29 C ATOM 529 OE1 GLN A 32 -0.821 -5.134 -10.776 1.00 0.82 O ATOM 530 NE2 GLN A 32 -1.229 -2.957 -10.419 1.00 1.04 N ATOM 0 H GLN A 32 0.870 -3.646 -5.783 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.812 -4.377 -6.004 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.102 -3.571 -7.698 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.283 -5.293 -7.967 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.114 -5.456 -8.564 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.303 -3.736 -8.284 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -1.529 -2.234 -9.765 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -0.971 -2.706 -11.373 1.00 1.04 H new ATOM 539 N SER A 33 0.265 -6.958 -6.064 1.00 0.09 N ATOM 540 CA SER A 33 0.351 -8.400 -5.861 1.00 0.11 C ATOM 541 C SER A 33 0.009 -8.779 -4.423 1.00 0.10 C ATOM 542 O SER A 33 -0.407 -9.906 -4.151 1.00 0.15 O ATOM 543 CB SER A 33 1.754 -8.900 -6.208 1.00 0.13 C ATOM 544 OG SER A 33 2.068 -8.639 -7.565 1.00 1.19 O ATOM 0 H SER A 33 1.153 -6.513 -6.297 1.00 0.09 H new ATOM 0 HA SER A 33 -0.376 -8.873 -6.521 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.486 -8.415 -5.562 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.820 -9.971 -6.016 1.00 0.13 H new ATOM 0 HG SER A 33 2.388 -7.717 -7.655 1.00 1.19 H new ATOM 550 N LEU A 34 0.188 -7.836 -3.505 1.00 0.10 N ATOM 551 CA LEU A 34 -0.104 -8.075 -2.095 1.00 0.11 C ATOM 552 C LEU A 34 -1.598 -8.300 -1.887 1.00 0.13 C ATOM 553 O LEU A 34 -2.008 -9.231 -1.194 1.00 0.18 O ATOM 554 CB LEU A 34 0.363 -6.885 -1.249 1.00 0.10 C ATOM 555 CG LEU A 34 0.853 -7.227 0.161 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.357 -5.975 0.861 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.253 -7.882 0.978 1.00 0.17 C ATOM 0 H LEU A 34 0.534 -6.899 -3.711 1.00 0.10 H new ATOM 0 HA LEU A 34 0.433 -8.970 -1.781 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.168 -6.378 -1.781 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.461 -6.176 -1.166 1.00 0.10 H new ATOM 0 HG LEU A 34 1.676 -7.937 0.073 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.702 -6.232 1.862 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.182 -5.547 0.291 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.549 -5.247 0.932 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.121 -8.115 1.975 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -1.099 -7.200 1.058 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.573 -8.801 0.487 1.00 0.17 H new ATOM 569 N LYS A 35 -2.404 -7.441 -2.497 1.00 0.15 N ATOM 570 CA LYS A 35 -3.854 -7.524 -2.377 1.00 0.19 C ATOM 571 C LYS A 35 -4.410 -8.726 -3.135 1.00 0.22 C ATOM 572 O LYS A 35 -5.269 -9.447 -2.628 1.00 0.31 O ATOM 573 CB LYS A 35 -4.486 -6.232 -2.895 1.00 0.23 C ATOM 574 CG LYS A 35 -5.996 -6.196 -2.785 1.00 0.23 C ATOM 575 CD LYS A 35 -6.430 -5.934 -1.357 1.00 0.24 C ATOM 576 CE LYS A 35 -7.825 -5.348 -1.306 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.874 -6.383 -1.526 1.00 0.46 N ATOM 0 H LYS A 35 -2.076 -6.674 -3.084 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.103 -7.655 -1.324 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.072 -5.390 -2.341 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.205 -6.096 -3.939 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.393 -5.419 -3.438 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.412 -7.144 -3.127 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.403 -6.864 -0.790 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.728 -5.250 -0.881 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.983 -4.872 -0.338 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.919 -4.570 -2.063 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.709 -5.943 -1.963 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.504 -7.124 -2.155 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.142 -6.805 -0.614 1.00 0.46 H new ATOM 591 N ASP A 36 -3.915 -8.941 -4.350 1.00 0.23 N ATOM 592 CA ASP A 36 -4.371 -10.057 -5.174 1.00 0.28 C ATOM 593 C ASP A 36 -3.892 -11.388 -4.608 1.00 0.25 C ATOM 594 O ASP A 36 -4.518 -12.426 -4.821 1.00 0.33 O ATOM 595 CB ASP A 36 -3.880 -9.895 -6.613 1.00 0.34 C ATOM 596 CG ASP A 36 -4.469 -8.674 -7.290 1.00 1.07 C ATOM 597 OD1 ASP A 36 -5.680 -8.691 -7.597 1.00 0.96 O ATOM 598 OD2 ASP A 36 -3.720 -7.699 -7.514 1.00 2.07 O ATOM 0 H ASP A 36 -3.200 -8.359 -4.786 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.461 -10.053 -5.168 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -2.793 -9.820 -6.617 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.140 -10.785 -7.185 1.00 0.34 H new ATOM 603 N ASP A 37 -2.779 -11.351 -3.884 1.00 0.20 N ATOM 604 CA ASP A 37 -2.211 -12.555 -3.288 1.00 0.22 C ATOM 605 C ASP A 37 -1.606 -12.244 -1.919 1.00 0.18 C ATOM 606 O ASP A 37 -0.387 -12.137 -1.783 1.00 0.16 O ATOM 607 CB ASP A 37 -1.143 -13.151 -4.206 1.00 0.27 C ATOM 608 CG ASP A 37 -1.670 -13.447 -5.597 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.163 -14.573 -5.818 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.589 -12.553 -6.465 1.00 1.29 O ATOM 0 H ASP A 37 -2.251 -10.499 -3.695 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.013 -13.282 -3.159 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.304 -12.459 -4.279 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.760 -14.070 -3.763 1.00 0.27 H new ATOM 615 N PRO A 38 -2.454 -12.092 -0.884 1.00 0.21 N ATOM 616 CA PRO A 38 -1.993 -11.789 0.478 1.00 0.21 C ATOM 617 C PRO A 38 -1.084 -12.875 1.044 1.00 0.21 C ATOM 618 O PRO A 38 -0.437 -12.680 2.073 1.00 0.23 O ATOM 619 CB PRO A 38 -3.290 -11.694 1.290 1.00 0.27 C ATOM 620 CG PRO A 38 -4.314 -12.409 0.477 1.00 0.30 C ATOM 621 CD PRO A 38 -3.921 -12.200 -0.956 1.00 0.26 C ATOM 0 HA PRO A 38 -1.394 -10.879 0.506 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.175 -12.154 2.271 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.575 -10.655 1.457 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.338 -13.470 0.725 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.311 -12.014 0.670 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.234 -13.033 -1.586 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.372 -11.299 -1.371 1.00 0.26 H new ATOM 629 N SER A 39 -1.042 -14.020 0.373 1.00 0.21 N ATOM 630 CA SER A 39 -0.202 -15.131 0.807 1.00 0.23 C ATOM 631 C SER A 39 1.265 -14.838 0.513 1.00 0.21 C ATOM 632 O SER A 39 2.162 -15.391 1.150 1.00 0.24 O ATOM 633 CB SER A 39 -0.628 -16.425 0.113 1.00 0.26 C ATOM 634 OG SER A 39 -1.981 -16.736 0.399 1.00 1.37 O ATOM 0 H SER A 39 -1.580 -14.204 -0.474 1.00 0.21 H new ATOM 0 HA SER A 39 -0.325 -15.253 1.883 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.495 -16.325 -0.964 1.00 0.26 H new ATOM 0 HB3 SER A 39 0.013 -17.244 0.439 1.00 0.26 H new ATOM 0 HG SER A 39 -2.229 -17.567 -0.058 1.00 1.37 H new ATOM 640 N GLN A 40 1.497 -13.963 -0.460 1.00 0.19 N ATOM 641 CA GLN A 40 2.849 -13.581 -0.849 1.00 0.18 C ATOM 642 C GLN A 40 3.347 -12.415 -0.002 1.00 0.16 C ATOM 643 O GLN A 40 4.448 -11.911 -0.214 1.00 0.16 O ATOM 644 CB GLN A 40 2.896 -13.206 -2.332 1.00 0.21 C ATOM 645 CG GLN A 40 2.480 -14.335 -3.262 1.00 0.27 C ATOM 646 CD GLN A 40 3.416 -15.525 -3.187 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.397 -15.605 -3.925 1.00 0.62 O ATOM 648 NE2 GLN A 40 3.116 -16.460 -2.291 1.00 0.69 N ATOM 0 H GLN A 40 0.761 -13.503 -0.996 1.00 0.19 H new ATOM 0 HA GLN A 40 3.502 -14.437 -0.681 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.244 -12.349 -2.502 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.908 -12.892 -2.586 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.469 -14.656 -3.009 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.450 -13.965 -4.287 1.00 0.27 H new ATOM 0 HE21 GLN A 40 2.292 -16.353 -1.699 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.710 -17.284 -2.196 1.00 0.69 H new ATOM 657 N SER A 41 2.518 -11.983 0.944 1.00 0.17 N ATOM 658 CA SER A 41 2.857 -10.868 1.828 1.00 0.20 C ATOM 659 C SER A 41 4.296 -10.956 2.328 1.00 0.20 C ATOM 660 O SER A 41 4.940 -9.937 2.565 1.00 0.25 O ATOM 661 CB SER A 41 1.903 -10.830 3.022 1.00 0.23 C ATOM 662 OG SER A 41 0.621 -10.364 2.639 1.00 1.10 O ATOM 0 H SER A 41 1.600 -12.391 1.120 1.00 0.17 H new ATOM 0 HA SER A 41 2.756 -9.951 1.247 1.00 0.20 H new ATOM 0 HB2 SER A 41 1.816 -11.827 3.453 1.00 0.23 H new ATOM 0 HB3 SER A 41 2.312 -10.182 3.797 1.00 0.23 H new ATOM 0 HG SER A 41 0.081 -11.117 2.320 1.00 1.10 H new ATOM 668 N ALA A 42 4.792 -12.178 2.488 1.00 0.18 N ATOM 669 CA ALA A 42 6.155 -12.391 2.960 1.00 0.20 C ATOM 670 C ALA A 42 7.140 -12.443 1.798 1.00 0.17 C ATOM 671 O ALA A 42 8.286 -12.007 1.923 1.00 0.18 O ATOM 672 CB ALA A 42 6.232 -13.670 3.777 1.00 0.24 C ATOM 0 H ALA A 42 4.272 -13.035 2.298 1.00 0.18 H new ATOM 0 HA ALA A 42 6.430 -11.548 3.594 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.254 -13.819 4.124 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.565 -13.594 4.635 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.932 -14.516 3.158 1.00 0.24 H new ATOM 678 N ASN A 43 6.689 -12.980 0.669 1.00 0.16 N ATOM 679 CA ASN A 43 7.532 -13.084 -0.517 1.00 0.16 C ATOM 680 C ASN A 43 7.756 -11.713 -1.138 1.00 0.13 C ATOM 681 O ASN A 43 8.890 -11.251 -1.253 1.00 0.14 O ATOM 682 CB ASN A 43 6.891 -14.025 -1.540 1.00 0.18 C ATOM 683 CG ASN A 43 6.889 -15.468 -1.076 1.00 0.21 C ATOM 684 OD1 ASN A 43 7.803 -16.233 -1.384 1.00 0.59 O ATOM 685 ND2 ASN A 43 5.860 -15.848 -0.328 1.00 0.71 N ATOM 0 H ASN A 43 5.746 -13.350 0.550 1.00 0.16 H new ATOM 0 HA ASN A 43 8.498 -13.491 -0.217 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.866 -13.706 -1.731 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.429 -13.951 -2.485 1.00 0.18 H new ATOM 0 HD21 ASN A 43 5.806 -16.807 0.015 1.00 0.71 H new ATOM 0 HD22 ASN A 43 5.124 -15.181 -0.096 1.00 0.71 H new ATOM 692 N LEU A 44 6.664 -11.070 -1.541 1.00 0.13 N ATOM 693 CA LEU A 44 6.727 -9.744 -2.141 1.00 0.12 C ATOM 694 C LEU A 44 7.530 -8.796 -1.257 1.00 0.11 C ATOM 695 O LEU A 44 8.228 -7.911 -1.750 1.00 0.12 O ATOM 696 CB LEU A 44 5.314 -9.202 -2.352 1.00 0.12 C ATOM 697 CG LEU A 44 4.399 -10.106 -3.182 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.945 -9.709 -2.999 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.787 -10.051 -4.651 1.00 0.23 C ATOM 0 H LEU A 44 5.721 -11.450 -1.462 1.00 0.13 H new ATOM 0 HA LEU A 44 7.226 -9.819 -3.107 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.853 -9.038 -1.378 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.382 -8.230 -2.840 1.00 0.12 H new ATOM 0 HG LEU A 44 4.520 -11.131 -2.832 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.311 -10.364 -3.597 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.672 -9.801 -1.948 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.806 -8.677 -3.321 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.126 -10.699 -5.226 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.696 -9.027 -5.013 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.817 -10.387 -4.768 1.00 0.23 H new ATOM 711 N LEU A 45 7.421 -8.993 0.053 1.00 0.12 N ATOM 712 CA LEU A 45 8.151 -8.174 1.012 1.00 0.13 C ATOM 713 C LEU A 45 9.646 -8.367 0.817 1.00 0.13 C ATOM 714 O LEU A 45 10.393 -7.406 0.633 1.00 0.15 O ATOM 715 CB LEU A 45 7.770 -8.567 2.441 1.00 0.15 C ATOM 716 CG LEU A 45 7.444 -7.407 3.386 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.261 -7.923 4.805 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.535 -6.347 3.345 1.00 0.14 C ATOM 0 H LEU A 45 6.834 -9.713 0.474 1.00 0.12 H new ATOM 0 HA LEU A 45 7.893 -7.128 0.849 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.905 -9.229 2.397 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.590 -9.142 2.871 1.00 0.15 H new ATOM 0 HG LEU A 45 6.513 -6.947 3.054 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.030 -7.090 5.468 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.443 -8.643 4.828 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.179 -8.407 5.137 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.279 -5.535 4.025 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.484 -6.789 3.649 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.625 -5.957 2.331 1.00 0.14 H new ATOM 730 N ALA A 46 10.070 -9.625 0.856 1.00 0.14 N ATOM 731 CA ALA A 46 11.471 -9.978 0.676 1.00 0.15 C ATOM 732 C ALA A 46 11.970 -9.532 -0.692 1.00 0.15 C ATOM 733 O ALA A 46 13.143 -9.197 -0.861 1.00 0.20 O ATOM 734 CB ALA A 46 11.649 -11.479 0.835 1.00 0.16 C ATOM 0 H ALA A 46 9.455 -10.424 1.012 1.00 0.14 H new ATOM 0 HA ALA A 46 12.059 -9.464 1.437 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.699 -11.737 0.699 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.327 -11.780 1.832 1.00 0.16 H new ATOM 0 HB3 ALA A 46 11.048 -11.998 0.088 1.00 0.16 H new ATOM 740 N GLU A 47 11.066 -9.531 -1.664 1.00 0.13 N ATOM 741 CA GLU A 47 11.397 -9.129 -3.024 1.00 0.15 C ATOM 742 C GLU A 47 11.510 -7.616 -3.124 1.00 0.13 C ATOM 743 O GLU A 47 12.228 -7.090 -3.972 1.00 0.17 O ATOM 744 CB GLU A 47 10.333 -9.636 -3.998 1.00 0.18 C ATOM 745 CG GLU A 47 10.334 -11.144 -4.175 1.00 0.28 C ATOM 746 CD GLU A 47 9.296 -11.613 -5.173 1.00 1.24 C ATOM 747 OE1 GLU A 47 9.621 -11.692 -6.377 1.00 1.09 O ATOM 748 OE2 GLU A 47 8.156 -11.906 -4.752 1.00 2.19 O ATOM 0 H GLU A 47 10.092 -9.806 -1.533 1.00 0.13 H new ATOM 0 HA GLU A 47 12.360 -9.568 -3.286 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.351 -9.322 -3.645 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.488 -9.165 -4.969 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.322 -11.467 -4.504 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.148 -11.619 -3.212 1.00 0.28 H new ATOM 755 N ALA A 48 10.789 -6.922 -2.250 1.00 0.10 N ATOM 756 CA ALA A 48 10.808 -5.465 -2.233 1.00 0.10 C ATOM 757 C ALA A 48 12.020 -4.958 -1.469 1.00 0.11 C ATOM 758 O ALA A 48 12.620 -3.949 -1.836 1.00 0.12 O ATOM 759 CB ALA A 48 9.526 -4.925 -1.621 1.00 0.11 C ATOM 0 H ALA A 48 10.185 -7.345 -1.545 1.00 0.10 H new ATOM 0 HA ALA A 48 10.876 -5.108 -3.260 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.556 -3.835 -1.616 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.672 -5.262 -2.209 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.429 -5.290 -0.599 1.00 0.11 H new ATOM 765 N LYS A 49 12.365 -5.660 -0.397 1.00 0.12 N ATOM 766 CA LYS A 49 13.518 -5.308 0.414 1.00 0.14 C ATOM 767 C LYS A 49 14.794 -5.602 -0.361 1.00 0.14 C ATOM 768 O LYS A 49 15.780 -4.869 -0.275 1.00 0.17 O ATOM 769 CB LYS A 49 13.497 -6.104 1.716 1.00 0.14 C ATOM 770 CG LYS A 49 12.283 -5.816 2.584 1.00 0.14 C ATOM 771 CD LYS A 49 12.300 -6.645 3.858 1.00 0.16 C ATOM 772 CE LYS A 49 11.835 -8.069 3.601 1.00 0.16 C ATOM 773 NZ LYS A 49 11.852 -8.891 4.843 1.00 0.21 N ATOM 0 H LYS A 49 11.857 -6.482 -0.069 1.00 0.12 H new ATOM 0 HA LYS A 49 13.483 -4.245 0.652 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.522 -7.168 1.482 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.400 -5.881 2.283 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.259 -4.756 2.838 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.374 -6.029 2.022 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.309 -6.659 4.271 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.656 -6.180 4.605 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.826 -8.053 3.190 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.477 -8.531 2.851 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.528 -9.855 4.626 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.820 -8.928 5.222 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.220 -8.465 5.550 1.00 0.21 H new ATOM 787 N LYS A 50 14.754 -6.691 -1.121 1.00 0.13 N ATOM 788 CA LYS A 50 15.878 -7.112 -1.942 1.00 0.16 C ATOM 789 C LYS A 50 16.068 -6.149 -3.108 1.00 0.16 C ATOM 790 O LYS A 50 17.178 -5.966 -3.610 1.00 0.22 O ATOM 791 CB LYS A 50 15.627 -8.527 -2.469 1.00 0.17 C ATOM 792 CG LYS A 50 16.649 -8.995 -3.493 1.00 0.52 C ATOM 793 CD LYS A 50 16.323 -10.388 -4.006 1.00 0.51 C ATOM 794 CE LYS A 50 17.329 -10.847 -5.048 1.00 1.36 C ATOM 795 NZ LYS A 50 17.001 -12.199 -5.580 1.00 2.10 N ATOM 0 H LYS A 50 13.942 -7.304 -1.184 1.00 0.13 H new ATOM 0 HA LYS A 50 16.783 -7.109 -1.335 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.625 -9.222 -1.629 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.634 -8.566 -2.917 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.676 -8.295 -4.328 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.642 -8.994 -3.044 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.314 -11.091 -3.173 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.322 -10.393 -4.438 1.00 0.51 H new ATOM 0 HE2 LYS A 50 17.354 -10.130 -5.869 1.00 1.36 H new ATOM 0 HE3 LYS A 50 18.326 -10.862 -4.608 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.711 -12.475 -6.288 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 17.002 -12.888 -4.801 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 16.060 -12.179 -6.023 1.00 2.10 H new ATOM 809 N LEU A 51 14.967 -5.536 -3.527 1.00 0.14 N ATOM 810 CA LEU A 51 14.982 -4.591 -4.634 1.00 0.15 C ATOM 811 C LEU A 51 15.386 -3.202 -4.157 1.00 0.15 C ATOM 812 O LEU A 51 16.142 -2.498 -4.827 1.00 0.18 O ATOM 813 CB LEU A 51 13.599 -4.540 -5.282 1.00 0.15 C ATOM 814 CG LEU A 51 13.493 -3.689 -6.550 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.568 -4.077 -7.556 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.109 -3.839 -7.163 1.00 0.18 C ATOM 0 H LEU A 51 14.046 -5.679 -3.112 1.00 0.14 H new ATOM 0 HA LEU A 51 15.716 -4.925 -5.367 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.293 -5.558 -5.523 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.888 -4.158 -4.549 1.00 0.15 H new ATOM 0 HG LEU A 51 13.648 -2.644 -6.280 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.472 -3.458 -8.448 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.552 -3.925 -7.113 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.451 -5.126 -7.828 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.042 -3.230 -8.065 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.935 -4.885 -7.418 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.356 -3.510 -6.447 1.00 0.18 H new ATOM 828 N ASN A 52 14.875 -2.819 -2.994 1.00 0.15 N ATOM 829 CA ASN A 52 15.180 -1.518 -2.414 1.00 0.18 C ATOM 830 C ASN A 52 16.657 -1.440 -2.066 1.00 0.17 C ATOM 831 O ASN A 52 17.247 -0.361 -2.039 1.00 0.17 O ATOM 832 CB ASN A 52 14.331 -1.282 -1.163 1.00 0.26 C ATOM 833 CG ASN A 52 14.615 0.057 -0.511 1.00 0.36 C ATOM 834 OD1 ASN A 52 13.988 1.065 -0.838 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.561 0.076 0.421 1.00 0.21 N ATOM 0 H ASN A 52 14.246 -3.393 -2.433 1.00 0.15 H new ATOM 0 HA ASN A 52 14.946 -0.744 -3.144 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.275 -1.336 -1.429 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.520 -2.079 -0.444 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.792 0.949 0.896 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.057 -0.782 0.662 1.00 0.21 H new ATOM 842 N ASP A 53 17.248 -2.600 -1.801 1.00 0.18 N ATOM 843 CA ASP A 53 18.660 -2.676 -1.465 1.00 0.20 C ATOM 844 C ASP A 53 19.500 -2.785 -2.732 1.00 0.22 C ATOM 845 O ASP A 53 20.697 -2.497 -2.725 1.00 0.25 O ATOM 846 CB ASP A 53 18.927 -3.874 -0.552 1.00 0.23 C ATOM 847 CG ASP A 53 20.400 -4.044 -0.234 1.00 0.28 C ATOM 848 OD1 ASP A 53 20.879 -3.404 0.725 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.076 -4.817 -0.945 1.00 0.34 O ATOM 0 H ASP A 53 16.768 -3.500 -1.813 1.00 0.18 H new ATOM 0 HA ASP A 53 18.939 -1.765 -0.936 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.370 -3.750 0.377 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.554 -4.781 -1.029 1.00 0.23 H new ATOM 854 N ALA A 54 18.857 -3.199 -3.821 1.00 0.22 N ATOM 855 CA ALA A 54 19.533 -3.347 -5.102 1.00 0.26 C ATOM 856 C ALA A 54 19.835 -1.987 -5.716 1.00 0.28 C ATOM 857 O ALA A 54 20.787 -1.834 -6.481 1.00 0.32 O ATOM 858 CB ALA A 54 18.686 -4.179 -6.052 1.00 0.27 C ATOM 0 H ALA A 54 17.866 -3.438 -3.839 1.00 0.22 H new ATOM 0 HA ALA A 54 20.479 -3.862 -4.932 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.203 -4.282 -7.006 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.520 -5.166 -5.621 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.727 -3.686 -6.211 1.00 0.27 H new ATOM 864 N GLN A 55 19.012 -1.002 -5.373 1.00 0.27 N ATOM 865 CA GLN A 55 19.181 0.352 -5.887 1.00 0.31 C ATOM 866 C GLN A 55 19.774 1.265 -4.820 1.00 0.33 C ATOM 867 O GLN A 55 19.988 2.454 -5.057 1.00 0.41 O ATOM 868 CB GLN A 55 17.835 0.902 -6.356 1.00 0.32 C ATOM 869 CG GLN A 55 17.049 -0.077 -7.211 1.00 0.32 C ATOM 870 CD GLN A 55 15.697 0.466 -7.634 1.00 0.36 C ATOM 871 OE1 GLN A 55 15.218 0.174 -8.729 1.00 0.61 O ATOM 872 NE2 GLN A 55 15.071 1.251 -6.763 1.00 0.29 N ATOM 0 H GLN A 55 18.220 -1.116 -4.740 1.00 0.27 H new ATOM 0 HA GLN A 55 19.869 0.318 -6.731 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.238 1.173 -5.485 1.00 0.32 H new ATOM 0 HB3 GLN A 55 18.003 1.817 -6.925 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.630 -0.324 -8.099 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.906 -1.004 -6.655 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.506 1.467 -5.866 1.00 0.29 H new ATOM 0 HE22 GLN A 55 14.155 1.638 -6.991 1.00 0.29 H new ATOM 881 N ALA A 56 20.033 0.699 -3.646 1.00 0.28 N ATOM 882 CA ALA A 56 20.598 1.458 -2.539 1.00 0.31 C ATOM 883 C ALA A 56 21.983 2.003 -2.890 1.00 0.39 C ATOM 884 O ALA A 56 22.797 1.299 -3.489 1.00 0.44 O ATOM 885 CB ALA A 56 20.669 0.590 -1.293 1.00 0.29 C ATOM 0 H ALA A 56 19.860 -0.284 -3.438 1.00 0.28 H new ATOM 0 HA ALA A 56 19.945 2.309 -2.342 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.093 1.167 -0.471 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.667 0.257 -1.024 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.299 -0.278 -1.490 1.00 0.29 H new ATOM 891 N PRO A 57 22.269 3.269 -2.521 1.00 0.45 N ATOM 892 CA PRO A 57 23.551 3.902 -2.797 1.00 0.54 C ATOM 893 C PRO A 57 24.585 3.616 -1.713 1.00 0.63 C ATOM 894 O PRO A 57 24.361 2.788 -0.829 1.00 0.83 O ATOM 895 CB PRO A 57 23.215 5.398 -2.834 1.00 0.68 C ATOM 896 CG PRO A 57 21.842 5.548 -2.244 1.00 0.61 C ATOM 897 CD PRO A 57 21.372 4.182 -1.808 1.00 0.47 C ATOM 0 HA PRO A 57 23.995 3.530 -3.720 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.946 5.973 -2.265 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.240 5.775 -3.856 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.864 6.232 -1.396 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.156 5.971 -2.978 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.448 4.057 -0.728 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.329 4.012 -2.076 1.00 0.47 H new ATOM 905 N LYS A 58 25.717 4.310 -1.786 1.00 0.75 N ATOM 906 CA LYS A 58 26.788 4.132 -0.812 1.00 0.91 C ATOM 907 C LYS A 58 26.765 5.245 0.231 1.00 1.37 C ATOM 908 O LYS A 58 26.129 5.050 1.288 1.00 1.85 O ATOM 909 CB LYS A 58 28.146 4.105 -1.518 1.00 1.12 C ATOM 910 CG LYS A 58 28.281 2.991 -2.545 1.00 2.01 C ATOM 911 CD LYS A 58 28.290 1.620 -1.887 1.00 2.90 C ATOM 912 CE LYS A 58 28.415 0.511 -2.916 1.00 3.59 C ATOM 913 NZ LYS A 58 27.237 0.460 -3.826 1.00 4.27 N ATOM 914 OXT LYS A 58 27.383 6.302 -0.017 1.00 2.03 O ATOM 0 H LYS A 58 25.916 5.001 -2.510 1.00 0.75 H new ATOM 0 HA LYS A 58 26.631 3.181 -0.304 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.308 5.063 -2.012 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.932 3.995 -0.771 1.00 1.12 H new ATOM 0 HG2 LYS A 58 27.456 3.049 -3.255 1.00 2.01 H new ATOM 0 HG3 LYS A 58 29.201 3.129 -3.113 1.00 2.01 H new ATOM 0 HD2 LYS A 58 29.119 1.559 -1.182 1.00 2.90 H new ATOM 0 HD3 LYS A 58 27.373 1.484 -1.313 1.00 2.90 H new ATOM 0 HE2 LYS A 58 29.321 0.662 -3.503 1.00 3.59 H new ATOM 0 HE3 LYS A 58 28.521 -0.447 -2.406 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 27.251 -0.431 -4.363 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 26.363 0.512 -3.265 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 27.273 1.263 -4.486 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 11.075 7.989 0.895 1.00 3.48 N ATOM 930 CA VAL B 101 11.453 9.050 1.863 1.00 2.61 C ATOM 931 C VAL B 101 10.528 9.033 3.073 1.00 2.18 C ATOM 932 O VAL B 101 9.314 9.193 2.942 1.00 2.41 O ATOM 933 CB VAL B 101 11.399 10.445 1.211 1.00 2.67 C ATOM 934 CG1 VAL B 101 11.944 11.504 2.157 1.00 2.50 C ATOM 935 CG2 VAL B 101 12.164 10.450 -0.105 1.00 3.29 C ATOM 0 HA VAL B 101 12.475 8.845 2.183 1.00 2.61 H new ATOM 0 HB VAL B 101 10.357 10.684 1.001 1.00 2.67 H new ATOM 0 HG11 VAL B 101 11.896 12.481 1.676 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.347 11.519 3.069 1.00 2.50 H new ATOM 0 HG13 VAL B 101 12.980 11.272 2.405 1.00 2.50 H new ATOM 0 HG21 VAL B 101 12.115 11.443 -0.551 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.205 10.186 0.079 1.00 3.29 H new ATOM 0 HG23 VAL B 101 11.720 9.724 -0.787 1.00 3.29 H new ATOM 947 N ASP B 102 11.110 8.838 4.251 1.00 1.82 N ATOM 948 CA ASP B 102 10.339 8.796 5.486 1.00 1.99 C ATOM 949 C ASP B 102 9.966 10.203 5.942 1.00 1.57 C ATOM 950 O ASP B 102 9.022 10.388 6.709 1.00 1.98 O ATOM 951 CB ASP B 102 11.133 8.082 6.583 1.00 2.35 C ATOM 952 CG ASP B 102 10.348 7.947 7.872 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.417 8.871 8.709 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.661 6.917 8.043 1.00 3.25 O ATOM 0 H ASP B 102 12.114 8.707 4.376 1.00 1.82 H new ATOM 0 HA ASP B 102 9.420 8.242 5.294 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.422 7.091 6.232 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.054 8.632 6.778 1.00 2.35 H new ATOM 959 N ASN B 103 10.714 11.191 5.461 1.00 1.11 N ATOM 960 CA ASN B 103 10.464 12.582 5.817 1.00 1.29 C ATOM 961 C ASN B 103 9.103 13.042 5.300 1.00 1.11 C ATOM 962 O ASN B 103 8.475 13.925 5.884 1.00 1.40 O ATOM 963 CB ASN B 103 11.571 13.479 5.260 1.00 1.77 C ATOM 964 CG ASN B 103 12.932 13.124 5.825 1.00 2.19 C ATOM 965 OD1 ASN B 103 13.352 13.663 6.848 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.629 12.210 5.160 1.00 2.04 N ATOM 0 H ASN B 103 11.498 11.053 4.824 1.00 1.11 H new ATOM 0 HA ASN B 103 10.460 12.659 6.904 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.596 13.391 4.174 1.00 1.77 H new ATOM 0 HB3 ASN B 103 11.344 14.520 5.490 1.00 1.77 H new ATOM 0 HD21 ASN B 103 14.551 11.930 5.494 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.242 11.788 4.316 1.00 2.04 H new ATOM 973 N LYS B 104 8.651 12.436 4.204 1.00 0.91 N ATOM 974 CA LYS B 104 7.360 12.783 3.618 1.00 0.83 C ATOM 975 C LYS B 104 6.219 12.182 4.431 1.00 0.58 C ATOM 976 O LYS B 104 5.499 12.892 5.133 1.00 0.72 O ATOM 977 CB LYS B 104 7.278 12.296 2.170 1.00 0.98 C ATOM 978 CG LYS B 104 8.279 12.962 1.239 1.00 1.29 C ATOM 979 CD LYS B 104 7.995 12.625 -0.218 1.00 1.55 C ATOM 980 CE LYS B 104 8.239 11.153 -0.513 1.00 1.61 C ATOM 981 NZ LYS B 104 7.825 10.789 -1.896 1.00 2.12 N ATOM 0 H LYS B 104 9.158 11.705 3.706 1.00 0.91 H new ATOM 0 HA LYS B 104 7.266 13.869 3.631 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.439 11.218 2.150 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.271 12.475 1.793 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.243 14.043 1.377 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.288 12.641 1.498 1.00 1.29 H new ATOM 0 HD2 LYS B 104 6.961 12.877 -0.455 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.628 13.235 -0.863 1.00 1.55 H new ATOM 0 HE2 LYS B 104 9.297 10.926 -0.379 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.689 10.543 0.203 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 8.231 9.865 -2.148 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 6.787 10.737 -1.945 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.167 11.511 -2.562 1.00 2.12 H new ATOM 995 N PHE B 105 6.061 10.865 4.330 1.00 0.46 N ATOM 996 CA PHE B 105 5.014 10.157 5.056 1.00 0.37 C ATOM 997 C PHE B 105 5.608 9.366 6.217 1.00 0.57 C ATOM 998 O PHE B 105 6.712 8.832 6.114 1.00 1.14 O ATOM 999 CB PHE B 105 4.248 9.222 4.116 1.00 0.49 C ATOM 1000 CG PHE B 105 5.123 8.260 3.364 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.809 8.669 2.232 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.258 6.949 3.787 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.613 7.788 1.536 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.060 6.063 3.095 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.739 6.483 1.968 1.00 1.19 C ATOM 0 H PHE B 105 6.648 10.266 3.750 1.00 0.46 H new ATOM 0 HA PHE B 105 4.318 10.894 5.458 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.520 8.656 4.697 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.687 9.823 3.400 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.714 9.689 1.890 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.730 6.615 4.668 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.142 8.120 0.655 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.156 5.042 3.435 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.367 5.792 1.426 1.00 1.19 H new ATOM 1015 N ASN B 106 4.871 9.293 7.322 1.00 0.51 N ATOM 1016 CA ASN B 106 5.337 8.574 8.503 1.00 0.67 C ATOM 1017 C ASN B 106 4.216 7.745 9.123 1.00 0.67 C ATOM 1018 O ASN B 106 4.212 6.517 9.022 1.00 0.82 O ATOM 1019 CB ASN B 106 5.886 9.556 9.540 1.00 0.81 C ATOM 1020 CG ASN B 106 6.050 10.958 8.982 1.00 0.84 C ATOM 1021 OD1 ASN B 106 7.097 11.302 8.434 1.00 1.17 O ATOM 1022 ND2 ASN B 106 5.012 11.775 9.123 1.00 0.78 N ATOM 0 H ASN B 106 3.951 9.722 7.424 1.00 0.51 H new ATOM 0 HA ASN B 106 6.132 7.898 8.189 1.00 0.67 H new ATOM 0 HB2 ASN B 106 5.215 9.586 10.398 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.850 9.197 9.901 1.00 0.81 H new ATOM 0 HD21 ASN B 106 5.063 12.731 8.770 1.00 0.78 H new ATOM 0 HD22 ASN B 106 4.164 11.447 9.584 1.00 0.78 H new ATOM 1029 N LYS B 107 3.269 8.423 9.765 1.00 0.62 N ATOM 1030 CA LYS B 107 2.147 7.750 10.406 1.00 0.63 C ATOM 1031 C LYS B 107 0.818 8.234 9.841 1.00 0.54 C ATOM 1032 O LYS B 107 0.114 7.483 9.173 1.00 0.45 O ATOM 1033 CB LYS B 107 2.176 7.984 11.917 1.00 0.79 C ATOM 1034 CG LYS B 107 0.982 7.389 12.648 1.00 0.80 C ATOM 1035 CD LYS B 107 0.998 7.745 14.127 1.00 1.00 C ATOM 1036 CE LYS B 107 0.745 9.228 14.353 1.00 1.07 C ATOM 1037 NZ LYS B 107 0.825 9.590 15.796 1.00 1.78 N ATOM 0 H LYS B 107 3.258 9.439 9.854 1.00 0.62 H new ATOM 0 HA LYS B 107 2.243 6.683 10.203 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.092 7.556 12.325 1.00 0.79 H new ATOM 0 HB3 LYS B 107 2.212 9.056 12.110 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.059 7.752 12.195 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.988 6.305 12.534 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.239 7.163 14.649 1.00 1.00 H new ATOM 0 HD3 LYS B 107 1.962 7.471 14.557 1.00 1.00 H new ATOM 0 HE2 LYS B 107 1.475 9.811 13.791 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -0.239 9.492 13.966 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 0.647 10.608 15.909 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 0.112 9.053 16.329 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 1.772 9.362 16.159 1.00 1.78 H new ATOM 1051 N GLU B 108 0.487 9.493 10.121 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.762 10.092 9.653 1.00 0.62 C ATOM 1053 C GLU B 108 -1.069 9.702 8.208 1.00 0.49 C ATOM 1054 O GLU B 108 -2.227 9.493 7.846 1.00 0.53 O ATOM 1055 CB GLU B 108 -0.694 11.613 9.775 1.00 0.74 C ATOM 1056 CG GLU B 108 -0.727 12.110 11.211 1.00 0.87 C ATOM 1057 CD GLU B 108 -0.714 13.623 11.303 1.00 1.09 C ATOM 1058 OE1 GLU B 108 0.381 14.215 11.209 1.00 1.37 O ATOM 1059 OE2 GLU B 108 -1.801 14.217 11.470 1.00 1.16 O ATOM 0 H GLU B 108 1.070 10.122 10.673 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.566 9.711 10.282 1.00 0.62 H new ATOM 0 HB2 GLU B 108 0.220 11.967 9.298 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -1.529 12.051 9.228 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -1.621 11.727 11.704 1.00 0.87 H new ATOM 0 HG3 GLU B 108 0.131 11.709 11.750 1.00 0.87 H new ATOM 1066 N THR B 109 -0.027 9.606 7.390 1.00 0.39 N ATOM 1067 CA THR B 109 -0.188 9.239 5.988 1.00 0.28 C ATOM 1068 C THR B 109 -0.396 7.734 5.836 1.00 0.25 C ATOM 1069 O THR B 109 -1.163 7.285 4.985 1.00 0.27 O ATOM 1070 CB THR B 109 1.038 9.665 5.156 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.243 11.079 5.273 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.861 9.297 3.689 1.00 0.27 C ATOM 0 H THR B 109 0.938 9.777 7.673 1.00 0.39 H new ATOM 0 HA THR B 109 -1.069 9.763 5.619 1.00 0.28 H new ATOM 0 HB THR B 109 1.908 9.135 5.543 1.00 0.25 H new ATOM 0 HG1 THR B 109 2.166 11.297 5.027 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.741 9.610 3.127 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.736 8.218 3.597 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.021 9.800 3.292 1.00 0.27 H new ATOM 1080 N GLN B 110 0.291 6.965 6.674 1.00 0.30 N ATOM 1081 CA GLN B 110 0.196 5.509 6.638 1.00 0.32 C ATOM 1082 C GLN B 110 -1.171 5.020 7.105 1.00 0.30 C ATOM 1083 O GLN B 110 -1.643 3.967 6.680 1.00 0.30 O ATOM 1084 CB GLN B 110 1.298 4.891 7.500 1.00 0.42 C ATOM 1085 CG GLN B 110 2.655 4.880 6.820 1.00 0.48 C ATOM 1086 CD GLN B 110 2.846 3.688 5.906 1.00 0.85 C ATOM 1087 OE1 GLN B 110 3.974 3.294 5.613 1.00 1.34 O ATOM 1088 NE2 GLN B 110 1.745 3.089 5.473 1.00 1.38 N ATOM 0 H GLN B 110 0.922 7.327 7.389 1.00 0.30 H new ATOM 0 HA GLN B 110 0.324 5.193 5.603 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.372 5.446 8.435 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.019 3.869 7.757 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.774 5.797 6.243 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.437 4.878 7.580 1.00 0.48 H new ATOM 0 HE21 GLN B 110 0.829 3.450 5.741 1.00 1.38 H new ATOM 0 HE22 GLN B 110 1.814 2.268 4.872 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.796 5.779 7.991 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.113 5.423 8.504 1.00 0.30 C ATOM 1099 C GLU B 111 -4.121 5.431 7.369 1.00 0.28 C ATOM 1100 O GLU B 111 -5.039 4.612 7.324 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.537 6.403 9.596 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.467 6.624 10.646 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.252 5.411 11.530 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -1.410 4.560 11.175 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -2.925 5.313 12.578 1.00 1.04 O ATOM 0 H GLU B 111 -1.414 6.645 8.371 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.070 4.423 8.936 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.791 7.359 9.139 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.440 6.030 10.079 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.529 6.880 10.154 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -2.744 7.476 11.267 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.933 6.370 6.454 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.802 6.500 5.293 1.00 0.17 C ATOM 1114 C ALA B 112 -4.416 5.484 4.223 1.00 0.13 C ATOM 1115 O ALA B 112 -5.251 5.059 3.425 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.726 7.912 4.735 1.00 0.17 C ATOM 0 H ALA B 112 -3.181 7.058 6.494 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.828 6.302 5.602 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.380 7.996 3.867 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.043 8.622 5.498 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.700 8.131 4.439 1.00 0.17 H new ATOM 1122 N SER B 113 -3.142 5.101 4.217 1.00 0.13 N ATOM 1123 CA SER B 113 -2.635 4.132 3.252 1.00 0.11 C ATOM 1124 C SER B 113 -3.206 2.744 3.536 1.00 0.10 C ATOM 1125 O SER B 113 -3.583 2.018 2.617 1.00 0.12 O ATOM 1126 CB SER B 113 -1.106 4.095 3.294 1.00 0.15 C ATOM 1127 OG SER B 113 -0.646 3.437 4.456 1.00 0.92 O ATOM 0 H SER B 113 -2.441 5.448 4.872 1.00 0.13 H new ATOM 0 HA SER B 113 -2.952 4.438 2.255 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.727 3.584 2.409 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.713 5.112 3.268 1.00 0.15 H new ATOM 0 HG SER B 113 -1.243 3.641 5.206 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.273 2.386 4.815 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.799 1.085 5.219 1.00 0.10 C ATOM 1135 C TRP B 114 -5.294 0.988 4.930 1.00 0.12 C ATOM 1136 O TRP B 114 -5.766 -0.018 4.401 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.528 0.837 6.707 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.061 -0.474 7.201 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.988 -0.663 8.185 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.699 -1.780 6.736 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.228 -2.004 8.358 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.449 -2.711 7.481 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.817 -2.253 5.762 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.343 -4.084 7.282 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.712 -3.617 5.566 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.472 -4.519 6.322 1.00 0.23 C ATOM 0 H TRP B 114 -2.970 2.977 5.589 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.288 0.318 4.637 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.453 0.873 6.883 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.974 1.644 7.289 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.464 0.128 8.746 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.880 -2.408 9.030 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.228 -1.566 5.173 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.927 -4.781 7.865 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.032 -3.994 4.817 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.368 -5.579 6.143 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.035 2.038 5.278 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.476 2.067 5.046 1.00 0.18 C ATOM 1159 C GLU B 115 -7.797 1.810 3.575 1.00 0.19 C ATOM 1160 O GLU B 115 -8.806 1.187 3.249 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.062 3.415 5.473 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.989 3.670 6.969 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.797 2.669 7.771 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -8.245 1.602 8.116 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -9.980 2.950 8.054 1.00 1.80 O ATOM 0 H GLU B 115 -5.662 2.878 5.721 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.926 1.276 5.646 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.532 4.212 4.952 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.104 3.464 5.156 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.948 3.632 7.290 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.351 4.676 7.180 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.930 2.301 2.696 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.115 2.130 1.260 1.00 0.12 C ATOM 1174 C ILE B 116 -6.902 0.677 0.841 1.00 0.10 C ATOM 1175 O ILE B 116 -7.568 0.183 -0.069 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.151 3.042 0.470 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.569 4.504 0.631 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.121 2.653 -1.002 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.485 5.490 0.258 1.00 0.11 C ATOM 0 H ILE B 116 -6.091 2.821 2.954 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.143 2.411 1.030 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.145 2.916 0.871 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.447 4.692 0.013 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.865 4.676 1.666 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.435 3.309 -1.538 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.785 1.621 -1.099 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.121 2.750 -1.425 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.854 6.506 0.397 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.613 5.330 0.893 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.205 5.346 -0.786 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.981 -0.003 1.512 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.681 -1.393 1.192 1.00 0.09 C ATOM 1193 C PHE B 117 -6.730 -2.338 1.779 1.00 0.11 C ATOM 1194 O PHE B 117 -6.956 -3.430 1.255 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.292 -1.769 1.713 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.735 -3.015 1.083 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -4.089 -4.267 1.562 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.854 -2.934 0.016 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.575 -5.414 0.988 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.335 -4.079 -0.558 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.711 -5.316 -0.090 1.00 0.20 C ATOM 0 H PHE B 117 -5.430 0.384 2.279 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.699 -1.496 0.107 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.607 -0.941 1.530 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.343 -1.908 2.793 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.774 -4.347 2.393 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.570 -1.966 -0.371 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.846 -6.384 1.379 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.633 -4.002 -1.375 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.333 -6.210 -0.563 1.00 0.20 H new ATOM 1211 N THR B 118 -7.372 -1.911 2.862 1.00 0.12 N ATOM 1212 CA THR B 118 -8.384 -2.732 3.521 1.00 0.16 C ATOM 1213 C THR B 118 -9.685 -2.785 2.725 1.00 0.18 C ATOM 1214 O THR B 118 -10.598 -3.535 3.069 1.00 0.34 O ATOM 1215 CB THR B 118 -8.684 -2.222 4.942 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.127 -0.860 4.894 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.450 -2.329 5.825 1.00 0.20 C ATOM 0 H THR B 118 -7.211 -1.005 3.301 1.00 0.12 H new ATOM 0 HA THR B 118 -7.969 -3.738 3.579 1.00 0.16 H new ATOM 0 HB THR B 118 -9.472 -2.843 5.368 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.894 -0.471 4.025 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.685 -1.963 6.825 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.135 -3.371 5.885 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.645 -1.730 5.399 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.771 -1.989 1.662 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.967 -1.964 0.829 1.00 0.14 C ATOM 1227 C LEU B 119 -11.099 -3.276 0.051 1.00 0.15 C ATOM 1228 O LEU B 119 -10.283 -3.571 -0.822 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.921 -0.771 -0.123 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.878 0.590 0.576 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.556 1.695 -0.415 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.198 0.872 1.276 1.00 1.01 C ATOM 0 H LEU B 119 -9.030 -1.356 1.359 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.842 -1.858 1.470 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.044 -0.866 -0.763 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.795 -0.805 -0.773 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.087 0.562 1.326 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.531 2.653 0.104 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.585 1.503 -0.871 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.321 1.723 -1.191 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.149 1.844 1.767 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.005 0.876 0.543 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.388 0.098 2.020 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.137 -4.078 0.360 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.358 -5.378 -0.290 1.00 0.26 C ATOM 1246 C PRO B 120 -12.784 -5.272 -1.752 1.00 0.26 C ATOM 1247 O PRO B 120 -12.386 -6.096 -2.577 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.476 -6.004 0.547 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.210 -4.845 1.126 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.178 -3.779 1.362 1.00 0.35 C ATOM 0 HA PRO B 120 -11.438 -5.961 -0.323 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.132 -6.621 -0.067 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -13.072 -6.648 1.329 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.985 -4.494 0.445 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.705 -5.122 2.057 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.593 -2.781 1.223 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.782 -3.821 2.377 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.592 -4.267 -2.076 1.00 0.22 N ATOM 1259 CA ASN B 121 -14.065 -4.094 -3.446 1.00 0.23 C ATOM 1260 C ASN B 121 -12.940 -3.657 -4.377 1.00 0.19 C ATOM 1261 O ASN B 121 -12.969 -3.946 -5.574 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.218 -3.088 -3.504 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.533 -3.694 -3.052 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.186 -4.416 -3.805 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.934 -3.392 -1.823 1.00 0.50 N ATOM 0 H ASN B 121 -13.930 -3.566 -1.416 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.428 -5.064 -3.787 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.981 -2.230 -2.875 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.323 -2.717 -4.524 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.816 -3.763 -1.469 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.360 -2.789 -1.233 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.949 -2.961 -3.829 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.820 -2.496 -4.625 1.00 0.13 C ATOM 1274 C LEU B 122 -9.746 -3.565 -4.746 1.00 0.16 C ATOM 1275 O LEU B 122 -9.349 -4.180 -3.757 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.224 -1.229 -4.014 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.706 0.078 -4.641 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.211 0.050 -4.839 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.304 1.258 -3.775 1.00 0.19 C ATOM 0 H LEU B 122 -11.905 -2.708 -2.842 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.192 -2.273 -5.625 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.458 -1.212 -2.950 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.139 -1.278 -4.101 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.234 0.189 -5.617 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.537 0.989 -5.287 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.476 -0.777 -5.498 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.702 -0.082 -3.875 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.654 2.182 -4.234 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.750 1.152 -2.786 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.218 1.288 -3.682 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.282 -3.780 -5.972 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.243 -4.769 -6.232 1.00 0.20 C ATOM 1293 C ASN B 123 -6.875 -4.199 -5.895 1.00 0.19 C ATOM 1294 O ASN B 123 -6.770 -3.135 -5.286 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.255 -5.216 -7.694 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.649 -5.272 -8.273 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.354 -6.271 -8.135 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -10.047 -4.199 -8.936 1.00 1.39 N ATOM 0 H ASN B 123 -9.609 -3.283 -6.801 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.447 -5.634 -5.600 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.648 -4.530 -8.285 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.793 -6.200 -7.773 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.975 -4.176 -9.360 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -9.426 -3.394 -9.024 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.834 -4.909 -6.299 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.482 -4.455 -6.031 1.00 0.11 C ATOM 1307 C GLY B 124 -4.119 -3.224 -6.838 1.00 0.11 C ATOM 1308 O GLY B 124 -3.418 -2.336 -6.352 1.00 0.17 O ATOM 0 H GLY B 124 -5.898 -5.791 -6.807 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.379 -4.234 -4.969 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.780 -5.257 -6.259 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.601 -3.174 -8.075 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.327 -2.053 -8.968 1.00 0.14 C ATOM 1314 C ARG B 125 -4.961 -0.763 -8.454 1.00 0.12 C ATOM 1315 O ARG B 125 -4.292 0.264 -8.332 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.860 -2.357 -10.370 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.381 -3.683 -10.937 1.00 0.58 C ATOM 1318 CD ARG B 125 -4.953 -3.931 -12.323 1.00 0.90 C ATOM 1319 NE ARG B 125 -4.545 -5.226 -12.861 1.00 1.75 N ATOM 1320 CZ ARG B 125 -4.354 -5.458 -14.157 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -4.520 -4.483 -15.040 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -3.995 -6.666 -14.569 1.00 3.25 N ATOM 0 H ARG B 125 -5.187 -3.901 -8.484 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.246 -1.915 -9.005 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.950 -2.358 -10.341 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.559 -1.555 -11.044 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.292 -3.688 -10.985 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -4.675 -4.493 -10.270 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -6.041 -3.883 -12.280 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.626 -3.139 -12.997 1.00 0.90 H new ATOM 0 HE ARG B 125 -4.398 -5.995 -12.207 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -4.795 -3.552 -14.726 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -4.373 -4.664 -16.033 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -3.865 -7.418 -13.892 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -3.849 -6.843 -15.563 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.255 -0.825 -8.155 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.990 0.336 -7.672 1.00 0.11 C ATOM 1338 C GLN B 126 -6.367 0.912 -6.402 1.00 0.09 C ATOM 1339 O GLN B 126 -6.069 2.104 -6.338 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.450 -0.039 -7.418 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.077 -0.823 -8.559 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.567 -1.027 -8.380 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.004 -1.994 -7.759 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.357 -0.115 -8.932 1.00 0.64 N ATOM 0 H GLN B 126 -6.817 -1.672 -8.240 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.941 1.106 -8.442 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.512 -0.629 -6.504 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.028 0.870 -7.251 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.897 -0.298 -9.497 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.589 -1.794 -8.638 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.951 0.672 -9.439 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.370 -0.201 -8.850 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.172 0.065 -5.395 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.588 0.509 -4.133 1.00 0.08 C ATOM 1355 C VAL B 127 -4.183 1.073 -4.340 1.00 0.08 C ATOM 1356 O VAL B 127 -3.875 2.161 -3.862 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.545 -0.627 -3.088 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.953 -1.102 -2.762 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.687 -1.784 -3.575 1.00 0.10 C ATOM 0 H VAL B 127 -6.408 -0.927 -5.427 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.234 1.300 -3.752 1.00 0.08 H new ATOM 0 HB VAL B 127 -5.092 -0.234 -2.177 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.905 -1.903 -2.024 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.533 -0.272 -2.359 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.431 -1.472 -3.669 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.674 -2.570 -2.820 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.101 -2.179 -4.503 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.670 -1.434 -3.752 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.340 0.338 -5.066 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.972 0.781 -5.326 1.00 0.10 C ATOM 1371 C ALA B 128 -1.964 2.145 -6.007 1.00 0.10 C ATOM 1372 O ALA B 128 -0.944 2.831 -6.036 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.233 -0.245 -6.175 1.00 0.10 C ATOM 0 H ALA B 128 -3.580 -0.562 -5.482 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.456 0.876 -4.370 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.216 0.100 -6.359 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.203 -1.199 -5.648 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.751 -0.372 -7.126 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.114 2.529 -6.548 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.252 3.816 -7.218 1.00 0.09 C ATOM 1381 C ALA B 129 -3.541 4.911 -6.201 1.00 0.09 C ATOM 1382 O ALA B 129 -3.109 6.053 -6.358 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.353 3.756 -8.264 1.00 0.10 C ATOM 0 H ALA B 129 -3.965 1.967 -6.536 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.314 4.049 -7.721 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.442 4.725 -8.754 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.109 2.995 -9.006 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.298 3.504 -7.783 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.278 4.547 -5.156 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.625 5.482 -4.095 1.00 0.08 C ATOM 1391 C PHE B 130 -3.485 5.592 -3.083 1.00 0.09 C ATOM 1392 O PHE B 130 -3.405 6.562 -2.329 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.917 5.040 -3.400 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.155 5.272 -4.223 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.721 6.536 -4.315 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.751 4.226 -4.905 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.857 6.747 -5.073 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.887 4.431 -5.664 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.440 5.693 -5.749 1.00 0.16 C ATOM 0 H PHE B 130 -4.647 3.606 -5.023 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.786 6.465 -4.538 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.845 3.979 -3.159 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -6.013 5.576 -2.456 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.269 7.363 -3.789 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.323 3.237 -4.843 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.289 7.735 -5.137 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.342 3.605 -6.190 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.327 5.856 -6.343 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.605 4.589 -3.071 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.461 4.584 -2.163 1.00 0.09 C ATOM 1411 C ILE B 131 -0.348 5.459 -2.725 1.00 0.10 C ATOM 1412 O ILE B 131 0.305 6.204 -1.995 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.903 3.163 -1.944 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -2.015 2.206 -1.499 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.226 3.192 -0.920 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.443 2.384 -0.060 1.00 0.13 C ATOM 0 H ILE B 131 -2.664 3.772 -3.679 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.810 4.971 -1.206 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.503 2.798 -2.890 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.882 2.348 -2.145 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.675 1.180 -1.642 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.611 2.183 -0.774 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.027 3.838 -1.280 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.152 3.576 0.027 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.232 1.670 0.176 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.590 2.212 0.597 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.815 3.398 0.086 1.00 0.13 H new ATOM 1428 N SER B 132 -0.139 5.353 -4.034 1.00 0.11 N ATOM 1429 CA SER B 132 0.889 6.131 -4.715 1.00 0.13 C ATOM 1430 C SER B 132 0.619 7.623 -4.570 1.00 0.15 C ATOM 1431 O SER B 132 1.480 8.378 -4.122 1.00 0.21 O ATOM 1432 CB SER B 132 0.945 5.755 -6.196 1.00 0.17 C ATOM 1433 OG SER B 132 1.989 6.446 -6.860 1.00 0.63 O ATOM 0 H SER B 132 -0.670 4.733 -4.646 1.00 0.11 H new ATOM 0 HA SER B 132 1.850 5.904 -4.253 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.096 4.680 -6.296 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.008 5.989 -6.670 1.00 0.17 H new ATOM 0 HG SER B 132 2.004 6.186 -7.805 1.00 0.63 H new ATOM 1439 N SER B 133 -0.582 8.037 -4.959 1.00 0.15 N ATOM 1440 CA SER B 133 -0.979 9.439 -4.868 1.00 0.19 C ATOM 1441 C SER B 133 -0.808 9.953 -3.444 1.00 0.18 C ATOM 1442 O SER B 133 -0.502 11.126 -3.225 1.00 0.26 O ATOM 1443 CB SER B 133 -2.436 9.607 -5.297 1.00 0.23 C ATOM 1444 OG SER B 133 -2.751 10.971 -5.517 1.00 0.74 O ATOM 0 H SER B 133 -1.299 7.421 -5.341 1.00 0.15 H new ATOM 0 HA SER B 133 -0.338 10.017 -5.534 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.618 9.037 -6.208 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.093 9.198 -4.530 1.00 0.23 H new ATOM 0 HG SER B 133 -3.446 11.039 -6.204 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.009 9.061 -2.483 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.891 9.406 -1.072 1.00 0.13 C ATOM 1452 C LEU B 134 0.541 9.777 -0.714 1.00 0.15 C ATOM 1453 O LEU B 134 0.803 10.851 -0.173 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.347 8.230 -0.208 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.457 8.547 0.792 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.770 7.325 1.639 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.058 9.719 1.671 1.00 0.20 C ATOM 0 H LEU B 134 -1.256 8.087 -2.657 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.528 10.270 -0.882 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.689 7.430 -0.864 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.486 7.847 0.339 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.356 8.822 0.240 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.563 7.566 2.347 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.096 6.509 0.994 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.876 7.022 2.185 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.859 9.933 2.378 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.148 9.471 2.218 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.880 10.596 1.049 1.00 0.20 H new ATOM 1469 N LEU B 135 1.464 8.876 -1.023 1.00 0.17 N ATOM 1470 CA LEU B 135 2.877 9.086 -0.730 1.00 0.22 C ATOM 1471 C LEU B 135 3.466 10.170 -1.625 1.00 0.24 C ATOM 1472 O LEU B 135 4.485 10.776 -1.295 1.00 0.31 O ATOM 1473 CB LEU B 135 3.642 7.773 -0.916 1.00 0.26 C ATOM 1474 CG LEU B 135 3.452 6.714 0.187 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.094 6.837 0.866 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.614 5.322 -0.397 1.00 0.65 C ATOM 0 H LEU B 135 1.258 7.987 -1.479 1.00 0.17 H new ATOM 0 HA LEU B 135 2.971 9.416 0.304 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.343 7.334 -1.868 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.705 8.003 -0.991 1.00 0.26 H new ATOM 0 HG LEU B 135 4.217 6.886 0.944 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.002 6.072 1.637 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.003 7.823 1.321 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.304 6.704 0.127 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.478 4.579 0.389 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.868 5.165 -1.177 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.612 5.220 -0.824 1.00 0.65 H new ATOM 1488 N ASP B 136 2.816 10.408 -2.758 1.00 0.22 N ATOM 1489 CA ASP B 136 3.268 11.421 -3.705 1.00 0.26 C ATOM 1490 C ASP B 136 2.692 12.788 -3.352 1.00 0.25 C ATOM 1491 O ASP B 136 3.144 13.815 -3.863 1.00 0.29 O ATOM 1492 CB ASP B 136 2.864 11.032 -5.128 1.00 0.29 C ATOM 1493 CG ASP B 136 3.312 12.049 -6.158 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.485 11.989 -6.581 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.489 12.909 -6.541 1.00 0.40 O ATOM 0 H ASP B 136 1.972 9.912 -3.044 1.00 0.22 H new ATOM 0 HA ASP B 136 4.355 11.481 -3.648 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.294 10.060 -5.371 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.781 10.923 -5.177 1.00 0.29 H new ATOM 1500 N ASP B 137 1.694 12.795 -2.473 1.00 0.24 N ATOM 1501 CA ASP B 137 1.052 14.033 -2.049 1.00 0.27 C ATOM 1502 C ASP B 137 0.284 13.823 -0.745 1.00 0.22 C ATOM 1503 O ASP B 137 -0.944 13.733 -0.747 1.00 0.24 O ATOM 1504 CB ASP B 137 0.106 14.546 -3.138 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.454 15.917 -2.817 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.176 16.923 -3.209 1.00 1.42 O ATOM 1507 OD2 ASP B 137 -1.523 15.986 -2.176 1.00 2.13 O ATOM 0 H ASP B 137 1.312 11.954 -2.040 1.00 0.24 H new ATOM 0 HA ASP B 137 1.829 14.778 -1.879 1.00 0.27 H new ATOM 0 HB2 ASP B 137 0.638 14.587 -4.088 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.716 13.841 -3.263 1.00 0.38 H new ATOM 1512 N PRO B 138 1.005 13.737 0.390 1.00 0.19 N ATOM 1513 CA PRO B 138 0.390 13.538 1.711 1.00 0.21 C ATOM 1514 C PRO B 138 -0.583 14.654 2.088 1.00 0.22 C ATOM 1515 O PRO B 138 -1.152 14.649 3.180 1.00 0.31 O ATOM 1516 CB PRO B 138 1.584 13.531 2.672 1.00 0.24 C ATOM 1517 CG PRO B 138 2.762 13.207 1.821 1.00 0.25 C ATOM 1518 CD PRO B 138 2.473 13.806 0.475 1.00 0.23 C ATOM 0 HA PRO B 138 -0.204 12.625 1.737 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.704 14.498 3.160 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.451 12.791 3.461 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.676 13.622 2.245 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.906 12.129 1.746 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.834 14.832 0.404 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.951 13.244 -0.328 1.00 0.23 H new ATOM 1526 N SER B 139 -0.766 15.614 1.188 1.00 0.20 N ATOM 1527 CA SER B 139 -1.675 16.726 1.435 1.00 0.22 C ATOM 1528 C SER B 139 -3.122 16.309 1.186 1.00 0.19 C ATOM 1529 O SER B 139 -4.014 16.627 1.972 1.00 0.19 O ATOM 1530 CB SER B 139 -1.315 17.916 0.544 1.00 0.28 C ATOM 1531 OG SER B 139 -2.188 19.008 0.773 1.00 1.15 O ATOM 0 H SER B 139 -0.298 15.644 0.282 1.00 0.20 H new ATOM 0 HA SER B 139 -1.574 17.021 2.479 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.287 18.222 0.738 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.367 17.619 -0.503 1.00 0.28 H new ATOM 0 HG SER B 139 -1.936 19.756 0.192 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.345 15.592 0.087 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.683 15.134 -0.270 1.00 0.17 C ATOM 1539 C GLN B 140 -4.966 13.757 0.312 1.00 0.15 C ATOM 1540 O GLN B 140 -5.805 13.028 -0.200 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.845 15.074 -1.786 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.669 16.413 -2.477 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.653 17.459 -1.989 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.781 17.139 -1.612 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.230 18.717 -1.990 1.00 1.37 N ATOM 0 H GLN B 140 -2.616 15.316 -0.571 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.393 15.849 0.146 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.119 14.369 -2.191 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.835 14.683 -2.020 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.653 16.771 -2.312 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.790 16.281 -3.552 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.287 18.938 -2.311 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -5.848 19.463 -1.670 1.00 1.37 H new ATOM 1554 N SER B 141 -4.260 13.410 1.377 1.00 0.15 N ATOM 1555 CA SER B 141 -4.420 12.125 2.022 1.00 0.13 C ATOM 1556 C SER B 141 -5.886 11.805 2.295 1.00 0.13 C ATOM 1557 O SER B 141 -6.409 10.804 1.807 1.00 0.18 O ATOM 1558 CB SER B 141 -3.635 12.128 3.326 1.00 0.15 C ATOM 1559 OG SER B 141 -2.255 12.351 3.092 1.00 1.01 O ATOM 0 H SER B 141 -3.563 14.013 1.814 1.00 0.15 H new ATOM 0 HA SER B 141 -4.040 11.353 1.353 1.00 0.13 H new ATOM 0 HB2 SER B 141 -4.025 12.903 3.986 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.771 11.175 3.838 1.00 0.15 H new ATOM 0 HG SER B 141 -1.975 13.174 3.545 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.539 12.653 3.077 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.941 12.449 3.416 1.00 0.17 C ATOM 1567 C ALA B 142 -8.825 12.472 2.176 1.00 0.17 C ATOM 1568 O ALA B 142 -9.896 11.867 2.162 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.401 13.500 4.414 1.00 0.20 C ATOM 0 H ALA B 142 -6.121 13.488 3.488 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.034 11.463 3.871 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.450 13.335 4.658 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.802 13.427 5.321 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.281 14.492 3.979 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.378 13.167 1.135 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.150 13.258 -0.098 1.00 0.18 C ATOM 1577 C ASN B 143 -8.928 12.025 -0.958 1.00 0.16 C ATOM 1578 O ASN B 143 -9.802 11.610 -1.714 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.770 14.514 -0.878 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.981 15.781 -0.073 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -10.045 16.396 -0.128 1.00 0.26 O ATOM 1582 ND2 ASN B 143 -7.963 16.174 0.686 1.00 0.23 N ATOM 0 H ASN B 143 -7.492 13.672 1.120 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.206 13.316 0.166 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.725 14.448 -1.180 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.363 14.564 -1.791 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -8.046 17.017 1.254 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -7.099 15.632 0.700 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.745 11.447 -0.824 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.370 10.266 -1.575 1.00 0.12 C ATOM 1591 C LEU B 144 -8.024 9.035 -0.976 1.00 0.11 C ATOM 1592 O LEU B 144 -8.453 8.131 -1.693 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.851 10.135 -1.581 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.132 11.174 -2.442 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.643 11.158 -2.163 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.408 10.925 -3.916 1.00 0.14 C ATOM 0 H LEU B 144 -7.020 11.785 -0.191 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.717 10.359 -2.604 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.487 10.215 -0.557 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.586 9.139 -1.937 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.515 12.162 -2.185 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.148 11.904 -2.785 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.467 11.388 -1.112 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.241 10.171 -2.391 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.889 11.673 -4.515 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -5.053 9.931 -4.190 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.480 10.992 -4.102 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.098 9.011 0.347 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.733 7.914 1.051 1.00 0.11 C ATOM 1610 C LEU B 145 -10.238 8.048 0.894 1.00 0.12 C ATOM 1611 O LEU B 145 -10.972 7.059 0.886 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.336 7.921 2.531 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.229 7.092 3.459 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.295 5.644 2.998 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.720 7.173 4.890 1.00 0.16 C ATOM 0 H LEU B 145 -7.724 9.742 0.953 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.405 6.964 0.629 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.313 7.553 2.616 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.334 8.952 2.884 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.237 7.504 3.422 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.935 5.076 3.673 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.704 5.602 1.989 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.293 5.215 3.001 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.364 6.579 5.539 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.702 6.786 4.936 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.729 8.211 5.221 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.687 9.293 0.758 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.100 9.577 0.568 1.00 0.17 C ATOM 1629 C ALA B 146 -12.550 9.051 -0.787 1.00 0.16 C ATOM 1630 O ALA B 146 -13.581 8.389 -0.898 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.361 11.073 0.675 1.00 0.20 C ATOM 0 H ALA B 146 -10.089 10.119 0.776 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.672 9.077 1.349 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.424 11.268 0.530 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.058 11.426 1.661 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.788 11.598 -0.090 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.758 9.350 -1.816 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.049 8.896 -3.168 1.00 0.19 C ATOM 1639 C GLU B 147 -12.061 7.380 -3.202 1.00 0.16 C ATOM 1640 O GLU B 147 -12.967 6.760 -3.758 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.988 9.419 -4.134 1.00 0.27 C ATOM 1642 CG GLU B 147 -11.004 10.927 -4.291 1.00 0.18 C ATOM 1643 CD GLU B 147 -12.017 11.398 -5.315 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.219 11.443 -4.982 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.607 11.724 -6.448 1.00 0.57 O ATOM 0 H GLU B 147 -10.907 9.907 -1.735 1.00 0.18 H new ATOM 0 HA GLU B 147 -13.025 9.276 -3.469 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -10.004 9.109 -3.783 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.138 8.958 -5.110 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.227 11.386 -3.328 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -10.011 11.268 -4.585 1.00 0.18 H new ATOM 1652 N ALA B 148 -11.032 6.798 -2.601 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.901 5.353 -2.527 1.00 0.12 C ATOM 1654 C ALA B 148 -12.171 4.731 -1.965 1.00 0.14 C ATOM 1655 O ALA B 148 -12.647 3.709 -2.456 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.709 4.985 -1.661 1.00 0.11 C ATOM 0 H ALA B 148 -10.271 7.311 -2.155 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.743 4.964 -3.533 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.617 3.900 -1.610 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.801 5.406 -2.093 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.852 5.384 -0.657 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.713 5.360 -0.925 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.933 4.883 -0.291 1.00 0.17 C ATOM 1664 C LYS B 149 -15.111 4.971 -1.256 1.00 0.17 C ATOM 1665 O LYS B 149 -16.014 4.136 -1.225 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.225 5.694 0.973 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.327 5.337 2.145 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.671 6.155 3.380 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.664 5.929 4.495 1.00 0.59 C ATOM 1670 NZ LYS B 149 -13.008 6.705 5.719 1.00 1.01 N ATOM 0 H LYS B 149 -12.323 6.203 -0.505 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.791 3.838 -0.015 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -14.111 6.755 0.749 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.265 5.539 1.262 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.427 4.275 2.371 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.286 5.508 1.872 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.697 7.213 3.121 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.668 5.887 3.729 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.623 4.867 4.738 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.670 6.216 4.151 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.297 6.524 6.456 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.022 7.720 5.494 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.945 6.414 6.063 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.096 5.986 -2.116 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.162 6.171 -3.093 1.00 0.20 C ATOM 1686 C LYS B 150 -16.107 5.072 -4.143 1.00 0.21 C ATOM 1687 O LYS B 150 -17.140 4.574 -4.592 1.00 0.30 O ATOM 1688 CB LYS B 150 -16.051 7.542 -3.764 1.00 0.25 C ATOM 1689 CG LYS B 150 -16.117 8.704 -2.786 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.303 10.032 -3.504 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.713 10.178 -4.060 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.745 10.084 -2.989 1.00 1.99 N ATOM 0 H LYS B 150 -14.359 6.690 -2.155 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.118 6.118 -2.571 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.111 7.593 -4.314 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.854 7.646 -4.494 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.941 8.548 -2.090 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.202 8.735 -2.195 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.097 10.851 -2.814 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.581 10.111 -4.317 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.805 11.137 -4.569 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -17.891 9.403 -4.805 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.627 10.528 -3.317 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -18.923 9.084 -2.765 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -18.407 10.575 -2.137 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.892 4.696 -4.525 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.691 3.651 -5.516 1.00 0.16 C ATOM 1708 C LEU B 151 -15.104 2.299 -4.950 1.00 0.15 C ATOM 1709 O LEU B 151 -15.805 1.524 -5.600 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.223 3.615 -5.954 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.897 2.612 -7.063 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.825 2.805 -8.249 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.444 2.750 -7.492 1.00 0.18 C ATOM 0 H LEU B 151 -14.030 5.102 -4.161 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.312 3.869 -6.385 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.937 4.611 -6.292 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.607 3.384 -5.085 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.048 1.605 -6.673 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.577 2.082 -9.026 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.857 2.656 -7.931 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.708 3.815 -8.642 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.228 2.030 -8.281 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.269 3.760 -7.864 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.793 2.560 -6.639 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.651 2.025 -3.734 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.977 0.779 -3.050 1.00 0.14 C ATOM 1727 C ASN B 152 -16.487 0.597 -2.945 1.00 0.17 C ATOM 1728 O ASN B 152 -17.036 -0.404 -3.404 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.353 0.761 -1.655 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.862 -0.392 -0.814 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -15.854 -0.262 -0.097 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -14.185 -1.529 -0.902 1.00 0.69 N ATOM 0 H ASN B 152 -14.053 2.653 -3.197 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.568 -0.045 -3.634 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.269 0.692 -1.745 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.572 1.701 -1.149 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -14.481 -2.342 -0.362 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -13.368 -1.590 -1.510 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.152 1.572 -2.332 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.601 1.521 -2.166 1.00 0.23 C ATOM 1741 C ASP B 153 -19.305 1.502 -3.520 1.00 0.25 C ATOM 1742 O ASP B 153 -20.421 0.999 -3.640 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.086 2.713 -1.340 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.719 2.588 0.126 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -17.615 3.036 0.502 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -19.532 2.040 0.899 1.00 1.04 O ATOM 0 H ASP B 153 -16.711 2.406 -1.943 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.847 0.600 -1.637 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.655 3.630 -1.743 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -20.168 2.801 -1.435 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.646 2.055 -4.536 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.212 2.094 -5.879 1.00 0.28 C ATOM 1753 C ALA B 154 -19.436 0.685 -6.415 1.00 0.30 C ATOM 1754 O ALA B 154 -20.547 0.332 -6.815 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.304 2.877 -6.817 1.00 0.28 C ATOM 0 H ALA B 154 -17.723 2.481 -4.454 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.177 2.597 -5.825 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.742 2.896 -7.815 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.194 3.897 -6.449 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.325 2.399 -6.859 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.376 -0.117 -6.420 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.456 -1.492 -6.901 1.00 0.35 C ATOM 1763 C GLN B 155 -19.137 -2.380 -5.867 1.00 0.36 C ATOM 1764 O GLN B 155 -19.665 -3.442 -6.194 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.060 -2.034 -7.210 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.269 -1.167 -8.173 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.923 -1.770 -8.525 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.802 -2.523 -9.491 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -13.904 -1.445 -7.739 1.00 0.39 N ATOM 0 H GLN B 155 -17.450 0.162 -6.096 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.047 -1.498 -7.817 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.502 -2.129 -6.278 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.153 -3.036 -7.629 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.848 -1.021 -9.085 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.118 -0.182 -7.730 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.050 -0.817 -6.949 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -12.975 -1.823 -7.925 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.115 -1.932 -4.616 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.726 -2.674 -3.519 1.00 0.34 C ATOM 1780 C ALA B 156 -21.191 -2.994 -3.816 1.00 0.47 C ATOM 1781 O ALA B 156 -21.825 -2.321 -4.629 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.600 -1.886 -2.225 1.00 0.36 C ATOM 0 H ALA B 156 -18.678 -1.054 -4.336 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.197 -3.621 -3.409 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -20.059 -2.447 -1.411 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.546 -1.719 -2.002 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -20.104 -0.926 -2.333 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.751 -4.030 -3.161 1.00 0.53 N ATOM 1789 CA PRO B 157 -23.148 -4.432 -3.371 1.00 0.68 C ATOM 1790 C PRO B 157 -24.123 -3.283 -3.137 1.00 0.79 C ATOM 1791 O PRO B 157 -24.684 -2.731 -4.085 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.366 -5.541 -2.336 1.00 0.81 C ATOM 1793 CG PRO B 157 -22.003 -6.061 -2.041 1.00 0.70 C ATOM 1794 CD PRO B 157 -21.076 -4.886 -2.169 1.00 0.48 C ATOM 0 HA PRO B 157 -23.327 -4.753 -4.397 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.845 -5.154 -1.437 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -24.012 -6.326 -2.728 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.956 -6.488 -1.039 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.728 -6.853 -2.738 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.944 -4.372 -1.217 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -20.085 -5.190 -2.507 1.00 0.48 H new ATOM 1802 N LYS B 158 -24.320 -2.930 -1.870 1.00 0.96 N ATOM 1803 CA LYS B 158 -25.225 -1.848 -1.505 1.00 1.17 C ATOM 1804 C LYS B 158 -24.824 -0.535 -2.170 1.00 1.23 C ATOM 1805 O LYS B 158 -23.891 0.125 -1.666 1.00 1.76 O ATOM 1806 CB LYS B 158 -25.271 -1.684 0.011 1.00 1.46 C ATOM 1807 CG LYS B 158 -23.931 -1.927 0.648 1.00 1.69 C ATOM 1808 CD LYS B 158 -23.333 -0.653 1.223 1.00 2.47 C ATOM 1809 CE LYS B 158 -21.956 -0.903 1.814 1.00 3.07 C ATOM 1810 NZ LYS B 158 -21.994 -1.918 2.905 1.00 3.60 N ATOM 1811 OXT LYS B 158 -25.447 -0.177 -3.192 1.00 1.64 O ATOM 0 H LYS B 158 -23.863 -3.380 -1.077 1.00 0.96 H new ATOM 0 HA LYS B 158 -26.220 -2.111 -1.863 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -25.611 -0.678 0.256 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -26.001 -2.378 0.428 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -24.036 -2.668 1.441 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -23.249 -2.346 -0.092 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -23.263 0.103 0.441 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -23.994 -0.255 1.993 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -21.280 -1.240 1.028 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -21.553 0.032 2.202 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -21.094 -1.902 3.426 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -22.775 -1.699 3.556 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -22.140 -2.863 2.495 1.00 3.60 H new TER 1825 LYS B 158