USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=25 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 126 GLN : amide:sc= -3.54! C(o=-3.6!,f=-8.2!) USER MOD Set 1.2: B 155 GLN : amide:sc= -0.0151 X(o=-3.6,f=-3.5) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0424 K(o=-0.051,f=-2.8) USER MOD Set 2.2: A 43 ASN :FLIP amide:sc=-0.00853 F(o=-0.83,f=-0.051) USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= -1.29 F(o=-7.7!,f=-2) USER MOD Set 3.2: A 26 GLN :FLIP amide:sc= -0.714 F(o=-3.6,f=-2) USER MOD Set 3.3: A 55 GLN : amide:sc= -0.0072 K(o=-2,f=-3.6) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.0786 K(o=-0.52,f=-5.8!) USER MOD Set 4.2: B 110 GLN :FLIP amide:sc= -0.443 F(o=-3,f=-0.52) USER MOD Set 5.1: A 6 ASN : amide:sc= -0.228 X(o=-3.1,f=-2.9) USER MOD Set 5.2: A 9 GLN : amide:sc= -2.87! X(o=-3.1!,f=-3.5) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -0.636 (180deg=-0.778) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0898 F(o=-0.73,f=-0.09) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0228 (180deg=-0.305) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0685 (180deg=-0.371) USER MOD Single : A 10 GLN : amide:sc= -0.475 K(o=-0.47,f=-1.9!) USER MOD Single : A 11 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 14 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 21 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.61) USER MOD Single : A 28 ASN : amide:sc= -4.4! C(o=-4.4!,f=-4.8!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.64 F(o=-4.4!,f=-1.6) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= 0.0173 (180deg=-0.124) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 0.513 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= -2.61 K(o=-2.6,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 162:sc= -0.0614 (180deg=-0.377) USER MOD Single : B 106 ASN : amide:sc= -0.0279 X(o=-0.028,f=0.016) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 170:sc= 0 USER MOD Single : B 113 SER OG : rot 71:sc= 0.599 USER MOD Single : B 118 THR OG1 : rot -11:sc= 0.467 USER MOD Single : B 121 ASN : amide:sc= -1.9 K(o=-1.9,f=-3!) USER MOD Single : B 123 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.73) USER MOD Single : B 132 SER OG : rot 16:sc= 0.107 USER MOD Single : B 133 SER OG : rot 150:sc= -0.155 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN :FLIP amide:sc= -5.87! C(o=-7.4!,f=-5.9!) USER MOD Single : B 141 SER OG : rot 180:sc= -1.25 USER MOD Single : B 143 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 ASN : amide:sc= -5.62! C(o=-5.6!,f=-15!) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.823 -15.345 6.758 1.00 6.84 N ATOM 2 CA VAL A 1 -7.670 -16.131 6.250 1.00 6.39 C ATOM 3 C VAL A 1 -7.471 -15.912 4.753 1.00 5.45 C ATOM 4 O VAL A 1 -6.717 -16.638 4.105 1.00 5.57 O ATOM 5 CB VAL A 1 -7.862 -17.639 6.515 1.00 7.06 C ATOM 6 CG1 VAL A 1 -7.916 -17.916 8.009 1.00 7.37 C ATOM 7 CG2 VAL A 1 -9.120 -18.147 5.828 1.00 7.36 C ATOM 0 H1 VAL A 1 -8.988 -15.577 7.758 1.00 6.84 H new ATOM 0 H2 VAL A 1 -8.618 -14.329 6.668 1.00 6.84 H new ATOM 0 H3 VAL A 1 -9.672 -15.577 6.204 1.00 6.84 H new ATOM 0 HA VAL A 1 -6.787 -15.782 6.785 1.00 6.39 H new ATOM 0 HB VAL A 1 -7.007 -18.173 6.099 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -8.052 -18.984 8.176 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -6.985 -17.592 8.473 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -8.750 -17.371 8.450 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -9.238 -19.212 6.027 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -9.987 -17.608 6.211 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -9.038 -17.985 4.753 1.00 7.36 H new ATOM 19 N ASP A 2 -8.151 -14.906 4.212 1.00 4.87 N ATOM 20 CA ASP A 2 -8.048 -14.588 2.793 1.00 4.23 C ATOM 21 C ASP A 2 -8.081 -13.079 2.566 1.00 3.33 C ATOM 22 O ASP A 2 -7.095 -12.486 2.129 1.00 3.72 O ATOM 23 CB ASP A 2 -9.184 -15.255 2.014 1.00 5.03 C ATOM 24 CG ASP A 2 -9.153 -16.766 2.122 1.00 5.73 C ATOM 25 OD1 ASP A 2 -8.326 -17.394 1.428 1.00 6.07 O ATOM 26 OD2 ASP A 2 -9.956 -17.323 2.901 1.00 6.23 O ATOM 0 H ASP A 2 -8.780 -14.297 4.736 1.00 4.87 H new ATOM 0 HA ASP A 2 -7.093 -14.971 2.432 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -10.140 -14.887 2.386 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -9.118 -14.968 0.965 1.00 5.03 H new ATOM 31 N ASN A 3 -9.220 -12.463 2.868 1.00 2.66 N ATOM 32 CA ASN A 3 -9.386 -11.028 2.695 1.00 2.31 C ATOM 33 C ASN A 3 -9.476 -10.326 4.043 1.00 1.47 C ATOM 34 O ASN A 3 -9.525 -9.101 4.116 1.00 2.12 O ATOM 35 CB ASN A 3 -10.642 -10.739 1.876 1.00 2.82 C ATOM 36 CG ASN A 3 -11.854 -10.464 2.746 1.00 3.16 C ATOM 37 OD1 ASN A 3 -12.048 -9.199 3.104 1.00 3.78 O flip ATOM 38 ND2 ASN A 3 -12.604 -11.376 3.094 1.00 3.18 N flip ATOM 0 H ASN A 3 -10.044 -12.940 3.235 1.00 2.66 H new ATOM 0 HA ASN A 3 -8.514 -10.646 2.163 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -10.461 -9.880 1.230 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -10.851 -11.589 1.226 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -12.416 -12.333 2.795 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -13.413 -11.175 3.681 1.00 3.18 H new ATOM 45 N LYS A 4 -9.510 -11.121 5.102 1.00 0.80 N ATOM 46 CA LYS A 4 -9.600 -10.597 6.463 1.00 1.31 C ATOM 47 C LYS A 4 -8.472 -9.611 6.767 1.00 1.28 C ATOM 48 O LYS A 4 -8.543 -8.864 7.745 1.00 2.13 O ATOM 49 CB LYS A 4 -9.562 -11.745 7.473 1.00 2.13 C ATOM 50 CG LYS A 4 -10.696 -12.746 7.310 1.00 2.28 C ATOM 51 CD LYS A 4 -12.046 -12.122 7.630 1.00 3.10 C ATOM 52 CE LYS A 4 -13.168 -13.143 7.532 1.00 3.72 C ATOM 53 NZ LYS A 4 -12.985 -14.265 8.493 1.00 4.09 N ATOM 0 H LYS A 4 -9.477 -12.139 5.047 1.00 0.80 H new ATOM 0 HA LYS A 4 -10.547 -10.064 6.546 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -8.611 -12.269 7.377 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -9.598 -11.331 8.481 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -10.703 -13.125 6.288 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -10.525 -13.600 7.965 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -12.024 -11.699 8.634 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -12.240 -11.299 6.942 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -14.122 -12.653 7.724 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -13.211 -13.538 6.517 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -13.870 -14.807 8.567 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -12.224 -14.889 8.157 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -12.733 -13.884 9.427 1.00 4.09 H new ATOM 67 N PHE A 5 -7.432 -9.613 5.934 1.00 0.53 N ATOM 68 CA PHE A 5 -6.292 -8.722 6.132 1.00 0.42 C ATOM 69 C PHE A 5 -5.641 -8.998 7.480 1.00 0.40 C ATOM 70 O PHE A 5 -5.758 -8.207 8.417 1.00 0.49 O ATOM 71 CB PHE A 5 -6.719 -7.253 6.043 1.00 0.34 C ATOM 72 CG PHE A 5 -7.266 -6.865 4.698 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.471 -6.933 3.566 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.576 -6.433 4.567 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.971 -6.575 2.328 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.082 -6.075 3.332 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.277 -6.151 2.210 1.00 0.40 C ATOM 0 H PHE A 5 -7.356 -10.220 5.118 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.569 -8.914 5.339 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.475 -7.056 6.804 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.862 -6.620 6.274 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.448 -7.270 3.651 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.209 -6.375 5.440 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.339 -6.628 1.454 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.104 -5.737 3.243 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.671 -5.878 1.242 1.00 0.40 H new ATOM 87 N ASN A 6 -4.957 -10.133 7.567 1.00 0.35 N ATOM 88 CA ASN A 6 -4.293 -10.541 8.798 1.00 0.37 C ATOM 89 C ASN A 6 -3.216 -9.544 9.213 1.00 0.37 C ATOM 90 O ASN A 6 -3.013 -8.519 8.562 1.00 0.36 O ATOM 91 CB ASN A 6 -3.679 -11.930 8.625 1.00 0.36 C ATOM 92 CG ASN A 6 -4.727 -13.023 8.559 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.111 -13.594 9.581 1.00 1.73 O ATOM 94 ND2 ASN A 6 -5.195 -13.321 7.353 1.00 1.69 N ATOM 0 H ASN A 6 -4.848 -10.790 6.794 1.00 0.35 H new ATOM 0 HA ASN A 6 -5.044 -10.570 9.588 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.081 -11.949 7.714 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -3.001 -12.130 9.455 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -5.901 -14.049 7.246 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -4.848 -12.822 6.534 1.00 1.69 H new ATOM 101 N LYS A 7 -2.525 -9.860 10.303 1.00 0.40 N ATOM 102 CA LYS A 7 -1.467 -9.002 10.822 1.00 0.43 C ATOM 103 C LYS A 7 -0.299 -8.932 9.846 1.00 0.40 C ATOM 104 O LYS A 7 0.226 -7.854 9.569 1.00 0.38 O ATOM 105 CB LYS A 7 -0.988 -9.524 12.180 1.00 0.52 C ATOM 106 CG LYS A 7 0.256 -8.824 12.707 1.00 0.58 C ATOM 107 CD LYS A 7 -0.003 -7.353 12.999 1.00 0.60 C ATOM 108 CE LYS A 7 -0.955 -7.176 14.172 1.00 1.39 C ATOM 109 NZ LYS A 7 -0.424 -7.800 15.415 1.00 1.90 N ATOM 0 H LYS A 7 -2.680 -10.709 10.847 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.869 -7.997 10.947 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.793 -9.409 12.906 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.784 -10.591 12.096 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.595 -9.321 13.616 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.060 -8.913 11.977 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.941 -6.853 13.216 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.421 -6.874 12.114 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -1.126 -6.113 14.344 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -1.920 -7.619 13.927 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -0.925 -7.412 16.240 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.568 -8.829 15.376 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 0.592 -7.595 15.499 1.00 1.90 H new ATOM 123 N GLU A 8 0.102 -10.089 9.330 1.00 0.43 N ATOM 124 CA GLU A 8 1.209 -10.159 8.385 1.00 0.43 C ATOM 125 C GLU A 8 0.903 -9.340 7.137 1.00 0.37 C ATOM 126 O GLU A 8 1.811 -8.907 6.429 1.00 0.39 O ATOM 127 CB GLU A 8 1.500 -11.612 8.007 1.00 0.47 C ATOM 128 CG GLU A 8 1.820 -12.497 9.202 1.00 0.52 C ATOM 129 CD GLU A 8 0.579 -12.921 9.963 1.00 1.03 C ATOM 130 OE1 GLU A 8 -0.178 -13.765 9.440 1.00 0.95 O ATOM 131 OE2 GLU A 8 0.365 -12.407 11.081 1.00 1.80 O ATOM 0 H GLU A 8 -0.323 -10.990 9.550 1.00 0.43 H new ATOM 0 HA GLU A 8 2.094 -9.740 8.865 1.00 0.43 H new ATOM 0 HB2 GLU A 8 0.638 -12.022 7.482 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.339 -11.637 7.311 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.353 -13.384 8.860 1.00 0.52 H new ATOM 0 HG3 GLU A 8 2.490 -11.963 9.876 1.00 0.52 H new ATOM 138 N GLN A 9 -0.384 -9.132 6.873 1.00 0.34 N ATOM 139 CA GLN A 9 -0.806 -8.349 5.718 1.00 0.33 C ATOM 140 C GLN A 9 -0.660 -6.860 6.009 1.00 0.30 C ATOM 141 O GLN A 9 -0.491 -6.049 5.098 1.00 0.32 O ATOM 142 CB GLN A 9 -2.251 -8.677 5.347 1.00 0.36 C ATOM 143 CG GLN A 9 -2.375 -9.777 4.305 1.00 0.38 C ATOM 144 CD GLN A 9 -3.817 -10.153 4.025 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.380 -11.033 4.677 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.424 -9.486 3.050 1.00 0.50 N ATOM 0 H GLN A 9 -1.150 -9.494 7.442 1.00 0.34 H new ATOM 0 HA GLN A 9 -0.166 -8.606 4.874 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.789 -8.977 6.246 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.735 -7.775 4.971 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.902 -9.451 3.379 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.833 -10.659 4.646 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.920 -8.764 2.535 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.394 -9.695 2.816 1.00 0.50 H new ATOM 155 N GLN A 10 -0.729 -6.513 7.290 1.00 0.27 N ATOM 156 CA GLN A 10 -0.593 -5.129 7.725 1.00 0.25 C ATOM 157 C GLN A 10 0.879 -4.740 7.774 1.00 0.23 C ATOM 158 O GLN A 10 1.283 -3.708 7.235 1.00 0.26 O ATOM 159 CB GLN A 10 -1.221 -4.950 9.109 1.00 0.26 C ATOM 160 CG GLN A 10 -1.769 -3.555 9.358 1.00 0.26 C ATOM 161 CD GLN A 10 -1.656 -3.137 10.812 1.00 0.64 C ATOM 162 OE1 GLN A 10 -0.750 -3.566 11.525 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.579 -2.292 11.259 1.00 0.89 N ATOM 0 H GLN A 10 -0.879 -7.177 8.049 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.109 -4.485 7.013 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.027 -5.674 9.228 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.474 -5.178 9.869 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -1.231 -2.840 8.735 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.815 -3.519 9.053 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.313 -1.961 10.633 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -2.553 -1.974 12.228 1.00 0.89 H new ATOM 172 N ASN A 11 1.673 -5.582 8.427 1.00 0.24 N ATOM 173 CA ASN A 11 3.108 -5.353 8.554 1.00 0.23 C ATOM 174 C ASN A 11 3.773 -5.271 7.182 1.00 0.21 C ATOM 175 O ASN A 11 4.495 -4.320 6.892 1.00 0.22 O ATOM 176 CB ASN A 11 3.754 -6.471 9.375 1.00 0.27 C ATOM 177 CG ASN A 11 3.090 -6.663 10.723 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.550 -5.720 11.303 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.126 -7.890 11.229 1.00 0.82 N ATOM 0 H ASN A 11 1.344 -6.435 8.879 1.00 0.24 H new ATOM 0 HA ASN A 11 3.252 -4.402 9.066 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.704 -7.404 8.814 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.810 -6.244 9.523 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.695 -8.082 12.133 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.585 -8.641 10.713 1.00 0.82 H new ATOM 186 N ALA A 12 3.525 -6.277 6.345 1.00 0.19 N ATOM 187 CA ALA A 12 4.103 -6.319 5.005 1.00 0.18 C ATOM 188 C ALA A 12 3.793 -5.044 4.232 1.00 0.15 C ATOM 189 O ALA A 12 4.642 -4.518 3.515 1.00 0.20 O ATOM 190 CB ALA A 12 3.590 -7.535 4.245 1.00 0.22 C ATOM 0 H ALA A 12 2.928 -7.073 6.572 1.00 0.19 H new ATOM 0 HA ALA A 12 5.185 -6.397 5.108 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.030 -7.553 3.248 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.868 -8.443 4.780 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.505 -7.481 4.162 1.00 0.22 H new ATOM 196 N PHE A 13 2.571 -4.555 4.387 1.00 0.13 N ATOM 197 CA PHE A 13 2.134 -3.340 3.714 1.00 0.11 C ATOM 198 C PHE A 13 3.029 -2.158 4.082 1.00 0.11 C ATOM 199 O PHE A 13 3.703 -1.588 3.225 1.00 0.15 O ATOM 200 CB PHE A 13 0.678 -3.044 4.087 1.00 0.14 C ATOM 201 CG PHE A 13 0.155 -1.742 3.551 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.428 -1.682 2.296 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.254 -0.577 4.297 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.904 -0.488 1.794 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.221 0.620 3.800 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.826 0.666 2.575 1.00 0.11 C ATOM 0 H PHE A 13 1.859 -4.985 4.978 1.00 0.13 H new ATOM 0 HA PHE A 13 2.207 -3.491 2.637 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.049 -3.854 3.718 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.587 -3.039 5.173 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.511 -2.581 1.703 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.707 -0.607 5.277 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.334 -0.447 0.804 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.114 1.524 4.381 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.243 1.594 2.212 1.00 0.11 H new ATOM 216 N TYR A 14 3.035 -1.805 5.363 1.00 0.11 N ATOM 217 CA TYR A 14 3.837 -0.685 5.850 1.00 0.13 C ATOM 218 C TYR A 14 5.317 -0.856 5.510 1.00 0.13 C ATOM 219 O TYR A 14 5.945 0.060 4.985 1.00 0.17 O ATOM 220 CB TYR A 14 3.665 -0.532 7.363 1.00 0.16 C ATOM 221 CG TYR A 14 2.253 -0.189 7.784 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.610 0.934 7.279 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.561 -0.992 8.683 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.318 1.247 7.657 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.270 -0.684 9.067 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.339 0.445 8.567 1.00 0.33 C ATOM 227 OH TYR A 14 -1.634 0.741 8.924 1.00 0.42 O ATOM 0 H TYR A 14 2.493 -2.279 6.085 1.00 0.11 H new ATOM 0 HA TYR A 14 3.482 0.216 5.349 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.964 -1.461 7.849 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.340 0.246 7.719 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.128 1.573 6.579 1.00 0.24 H new ATOM 0 HD2 TYR A 14 2.040 -1.871 9.088 1.00 0.26 H new ATOM 0 HE1 TYR A 14 -0.174 2.114 7.242 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.259 -1.326 9.756 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.954 0.080 9.573 1.00 0.42 H new ATOM 237 N GLU A 15 5.869 -2.031 5.813 1.00 0.11 N ATOM 238 CA GLU A 15 7.277 -2.308 5.544 1.00 0.12 C ATOM 239 C GLU A 15 7.634 -2.010 4.090 1.00 0.12 C ATOM 240 O GLU A 15 8.774 -1.661 3.780 1.00 0.19 O ATOM 241 CB GLU A 15 7.607 -3.765 5.873 1.00 0.13 C ATOM 242 CG GLU A 15 7.531 -4.087 7.357 1.00 0.19 C ATOM 243 CD GLU A 15 8.544 -3.311 8.176 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.679 -3.807 8.343 1.00 1.08 O ATOM 245 OE2 GLU A 15 8.203 -2.207 8.651 1.00 2.16 O ATOM 0 H GLU A 15 5.362 -2.804 6.244 1.00 0.11 H new ATOM 0 HA GLU A 15 7.871 -1.653 6.182 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.919 -4.415 5.333 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.610 -3.992 5.512 1.00 0.13 H new ATOM 0 HG2 GLU A 15 6.528 -3.865 7.722 1.00 0.19 H new ATOM 0 HG3 GLU A 15 7.694 -5.155 7.502 1.00 0.19 H new ATOM 252 N ILE A 16 6.654 -2.151 3.203 1.00 0.10 N ATOM 253 CA ILE A 16 6.866 -1.890 1.783 1.00 0.09 C ATOM 254 C ILE A 16 6.850 -0.390 1.496 1.00 0.12 C ATOM 255 O ILE A 16 7.580 0.093 0.629 1.00 0.16 O ATOM 256 CB ILE A 16 5.798 -2.603 0.923 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.056 -4.112 0.914 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.787 -2.054 -0.497 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.932 -4.920 0.301 1.00 0.14 C ATOM 0 H ILE A 16 5.707 -2.444 3.442 1.00 0.10 H new ATOM 0 HA ILE A 16 7.846 -2.286 1.518 1.00 0.09 H new ATOM 0 HB ILE A 16 4.818 -2.415 1.362 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.976 -4.311 0.364 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.218 -4.450 1.938 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.027 -2.572 -1.082 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.562 -0.988 -0.473 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.764 -2.208 -0.954 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.187 -5.979 0.330 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.014 -4.752 0.864 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.784 -4.611 -0.734 1.00 0.14 H new ATOM 271 N LEU A 17 6.019 0.342 2.232 1.00 0.14 N ATOM 272 CA LEU A 17 5.915 1.787 2.064 1.00 0.19 C ATOM 273 C LEU A 17 7.118 2.498 2.683 1.00 0.18 C ATOM 274 O LEU A 17 7.491 3.592 2.259 1.00 0.26 O ATOM 275 CB LEU A 17 4.623 2.303 2.696 1.00 0.27 C ATOM 276 CG LEU A 17 3.398 2.250 1.783 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.845 0.836 1.706 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.336 3.218 2.270 1.00 0.77 C ATOM 0 H LEU A 17 5.407 -0.043 2.952 1.00 0.14 H new ATOM 0 HA LEU A 17 5.900 2.002 0.996 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.416 1.720 3.593 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.777 3.334 3.014 1.00 0.27 H new ATOM 0 HG LEU A 17 3.702 2.548 0.779 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.974 0.821 1.051 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.609 0.168 1.309 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.555 0.504 2.703 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.470 3.170 1.610 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.036 2.950 3.283 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.738 4.231 2.267 1.00 0.77 H new ATOM 290 N HIS A 18 7.723 1.865 3.685 1.00 0.16 N ATOM 291 CA HIS A 18 8.884 2.434 4.368 1.00 0.16 C ATOM 292 C HIS A 18 10.094 2.505 3.442 1.00 0.13 C ATOM 293 O HIS A 18 10.890 3.440 3.519 1.00 0.15 O ATOM 294 CB HIS A 18 9.237 1.603 5.604 1.00 0.17 C ATOM 295 CG HIS A 18 8.417 1.931 6.814 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.974 2.183 8.050 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.078 2.035 6.979 1.00 0.28 C ATOM 298 CE1 HIS A 18 8.012 2.428 8.923 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.853 2.344 8.299 1.00 0.33 N ATOM 0 H HIS A 18 7.429 0.956 4.043 1.00 0.16 H new ATOM 0 HA HIS A 18 8.621 3.447 4.673 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.110 0.547 5.367 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.291 1.752 5.841 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.973 2.181 8.258 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.326 1.900 6.216 1.00 0.28 H new ATOM 0 HE1 HIS A 18 8.151 2.658 9.969 1.00 0.60 H new ATOM 308 N LEU A 19 10.227 1.505 2.573 1.00 0.14 N ATOM 309 CA LEU A 19 11.344 1.441 1.635 1.00 0.14 C ATOM 310 C LEU A 19 11.545 2.780 0.923 1.00 0.16 C ATOM 311 O LEU A 19 10.697 3.208 0.140 1.00 0.18 O ATOM 312 CB LEU A 19 11.104 0.330 0.613 1.00 0.12 C ATOM 313 CG LEU A 19 10.971 -1.072 1.210 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.640 -2.081 0.124 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.249 -1.469 1.935 1.00 0.12 C ATOM 0 H LEU A 19 9.573 0.726 2.500 1.00 0.14 H new ATOM 0 HA LEU A 19 12.251 1.221 2.199 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.197 0.559 0.054 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.927 0.329 -0.102 1.00 0.12 H new ATOM 0 HG LEU A 19 10.156 -1.062 1.933 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.549 -3.074 0.565 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.698 -1.807 -0.352 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.435 -2.087 -0.622 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.135 -2.469 2.353 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.083 -1.462 1.233 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.446 -0.760 2.739 1.00 0.12 H new ATOM 327 N PRO A 20 12.680 3.460 1.189 1.00 0.18 N ATOM 328 CA PRO A 20 12.985 4.759 0.584 1.00 0.21 C ATOM 329 C PRO A 20 13.559 4.638 -0.825 1.00 0.21 C ATOM 330 O PRO A 20 13.144 5.353 -1.736 1.00 0.23 O ATOM 331 CB PRO A 20 14.029 5.333 1.536 1.00 0.24 C ATOM 332 CG PRO A 20 14.764 4.138 2.041 1.00 0.22 C ATOM 333 CD PRO A 20 13.757 3.017 2.098 1.00 0.19 C ATOM 0 HA PRO A 20 12.094 5.375 0.465 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.698 6.024 1.023 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.563 5.887 2.351 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.593 3.883 1.381 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.189 4.330 3.026 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.192 2.072 1.772 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.387 2.864 3.112 1.00 0.19 H new ATOM 341 N ASN A 21 14.517 3.730 -0.996 1.00 0.20 N ATOM 342 CA ASN A 21 15.152 3.526 -2.293 1.00 0.21 C ATOM 343 C ASN A 21 14.149 2.990 -3.307 1.00 0.20 C ATOM 344 O ASN A 21 14.322 3.156 -4.514 1.00 0.23 O ATOM 345 CB ASN A 21 16.333 2.564 -2.159 1.00 0.21 C ATOM 346 CG ASN A 21 17.367 3.053 -1.162 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.567 4.257 -1.000 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.027 2.120 -0.487 1.00 0.26 N ATOM 0 H ASN A 21 14.869 3.126 -0.254 1.00 0.20 H new ATOM 0 HA ASN A 21 15.520 4.488 -2.649 1.00 0.21 H new ATOM 0 HB2 ASN A 21 15.967 1.585 -1.849 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.805 2.434 -3.133 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.733 2.390 0.198 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.829 1.133 -0.654 1.00 0.26 H new ATOM 355 N LEU A 22 13.098 2.347 -2.808 1.00 0.18 N ATOM 356 CA LEU A 22 12.064 1.793 -3.670 1.00 0.17 C ATOM 357 C LEU A 22 11.178 2.909 -4.209 1.00 0.20 C ATOM 358 O LEU A 22 10.703 3.756 -3.453 1.00 0.26 O ATOM 359 CB LEU A 22 11.209 0.783 -2.903 1.00 0.17 C ATOM 360 CG LEU A 22 10.487 -0.249 -3.772 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.433 -1.378 -4.152 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.266 -0.795 -3.048 1.00 0.26 C ATOM 0 H LEU A 22 12.941 2.198 -1.811 1.00 0.18 H new ATOM 0 HA LEU A 22 12.548 1.283 -4.503 1.00 0.17 H new ATOM 0 HB2 LEU A 22 11.847 0.255 -2.194 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.466 1.328 -2.320 1.00 0.17 H new ATOM 0 HG LEU A 22 10.152 0.242 -4.686 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.904 -2.104 -4.770 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.277 -0.973 -4.710 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.797 -1.868 -3.249 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.765 -1.527 -3.681 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.577 -1.271 -2.118 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.580 0.022 -2.825 1.00 0.26 H new ATOM 374 N ASN A 23 10.959 2.907 -5.517 1.00 0.22 N ATOM 375 CA ASN A 23 10.128 3.925 -6.147 1.00 0.27 C ATOM 376 C ASN A 23 8.655 3.575 -5.993 1.00 0.24 C ATOM 377 O ASN A 23 8.314 2.499 -5.504 1.00 0.29 O ATOM 378 CB ASN A 23 10.476 4.063 -7.628 1.00 0.33 C ATOM 379 CG ASN A 23 11.968 4.012 -7.880 1.00 0.75 C ATOM 380 OD1 ASN A 23 12.487 2.806 -8.063 1.00 1.59 O flip ATOM 381 ND2 ASN A 23 12.644 5.040 -7.905 1.00 1.33 N flip ATOM 0 H ASN A 23 11.343 2.215 -6.160 1.00 0.22 H new ATOM 0 HA ASN A 23 10.321 4.877 -5.652 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.989 3.265 -8.188 1.00 0.33 H new ATOM 0 HB3 ASN A 23 10.079 5.006 -8.005 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.200 5.946 -7.759 1.00 1.33 H new ATOM 0 HD22 ASN A 23 13.649 4.986 -8.072 1.00 1.33 H new ATOM 388 N GLU A 24 7.785 4.485 -6.411 1.00 0.29 N ATOM 389 CA GLU A 24 6.350 4.254 -6.322 1.00 0.29 C ATOM 390 C GLU A 24 5.912 3.219 -7.352 1.00 0.24 C ATOM 391 O GLU A 24 4.998 2.434 -7.106 1.00 0.22 O ATOM 392 CB GLU A 24 5.586 5.563 -6.531 1.00 0.36 C ATOM 393 CG GLU A 24 5.935 6.637 -5.516 1.00 1.23 C ATOM 394 CD GLU A 24 5.096 7.887 -5.679 1.00 1.42 C ATOM 395 OE1 GLU A 24 5.485 8.766 -6.477 1.00 1.25 O ATOM 396 OE2 GLU A 24 4.047 7.988 -5.009 1.00 2.17 O ATOM 0 H GLU A 24 8.046 5.385 -6.813 1.00 0.29 H new ATOM 0 HA GLU A 24 6.123 3.872 -5.327 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.794 5.940 -7.533 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.516 5.362 -6.482 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.797 6.240 -4.510 1.00 1.23 H new ATOM 0 HG3 GLU A 24 6.989 6.896 -5.615 1.00 1.23 H new ATOM 403 N GLU A 25 6.576 3.220 -8.505 1.00 0.27 N ATOM 404 CA GLU A 25 6.255 2.279 -9.573 1.00 0.28 C ATOM 405 C GLU A 25 6.493 0.844 -9.118 1.00 0.24 C ATOM 406 O GLU A 25 5.715 -0.057 -9.434 1.00 0.30 O ATOM 407 CB GLU A 25 7.093 2.578 -10.818 1.00 0.36 C ATOM 408 CG GLU A 25 6.872 3.974 -11.378 1.00 0.91 C ATOM 409 CD GLU A 25 7.683 4.232 -12.633 1.00 1.60 C ATOM 410 OE1 GLU A 25 7.205 3.881 -13.732 1.00 2.00 O ATOM 411 OE2 GLU A 25 8.797 4.785 -12.517 1.00 2.20 O ATOM 0 H GLU A 25 7.339 3.861 -8.723 1.00 0.27 H new ATOM 0 HA GLU A 25 5.200 2.395 -9.821 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.148 2.456 -10.574 1.00 0.36 H new ATOM 0 HB3 GLU A 25 6.858 1.845 -11.589 1.00 0.36 H new ATOM 0 HG2 GLU A 25 5.813 4.110 -11.599 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.136 4.712 -10.620 1.00 0.91 H new ATOM 418 N GLN A 26 7.575 0.637 -8.374 1.00 0.18 N ATOM 419 CA GLN A 26 7.917 -0.685 -7.869 1.00 0.15 C ATOM 420 C GLN A 26 7.044 -1.033 -6.673 1.00 0.13 C ATOM 421 O GLN A 26 6.512 -2.139 -6.575 1.00 0.16 O ATOM 422 CB GLN A 26 9.397 -0.728 -7.483 1.00 0.15 C ATOM 423 CG GLN A 26 10.321 -0.512 -8.670 1.00 0.19 C ATOM 424 CD GLN A 26 11.755 -0.217 -8.273 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.152 -0.662 -7.089 1.00 2.00 O flip ATOM 426 NE2 GLN A 26 12.498 0.409 -9.029 1.00 1.59 N flip ATOM 0 H GLN A 26 8.231 1.371 -8.108 1.00 0.18 H new ATOM 0 HA GLN A 26 7.738 -1.422 -8.652 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.594 0.036 -6.731 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.621 -1.691 -7.025 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.302 -1.400 -9.302 1.00 0.19 H new ATOM 0 HG3 GLN A 26 9.941 0.314 -9.271 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.151 0.733 -9.932 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.460 0.603 -8.753 1.00 1.59 H new ATOM 435 N ARG A 27 6.896 -0.069 -5.775 1.00 0.13 N ATOM 436 CA ARG A 27 6.079 -0.244 -4.580 1.00 0.13 C ATOM 437 C ARG A 27 4.641 -0.597 -4.950 1.00 0.14 C ATOM 438 O ARG A 27 3.984 -1.373 -4.256 1.00 0.23 O ATOM 439 CB ARG A 27 6.101 1.035 -3.740 1.00 0.14 C ATOM 440 CG ARG A 27 5.197 0.984 -2.519 1.00 0.18 C ATOM 441 CD ARG A 27 5.170 2.319 -1.793 1.00 0.41 C ATOM 442 NE ARG A 27 6.510 2.762 -1.415 1.00 1.59 N ATOM 443 CZ ARG A 27 6.986 3.979 -1.664 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.239 4.872 -2.302 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.213 4.304 -1.280 1.00 3.04 N ATOM 0 H ARG A 27 7.334 0.849 -5.852 1.00 0.13 H new ATOM 0 HA ARG A 27 6.496 -1.066 -3.998 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.124 1.228 -3.415 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.802 1.875 -4.367 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.186 0.713 -2.824 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.544 0.206 -1.840 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.706 3.070 -2.432 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.551 2.234 -0.900 1.00 0.41 H new ATOM 0 HE ARG A 27 7.116 2.099 -0.932 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.296 4.626 -2.603 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.608 5.804 -2.491 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.793 3.621 -0.793 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.577 5.237 -1.472 1.00 3.04 H new ATOM 459 N ASN A 28 4.159 -0.023 -6.049 1.00 0.13 N ATOM 460 CA ASN A 28 2.798 -0.272 -6.510 1.00 0.15 C ATOM 461 C ASN A 28 2.630 -1.715 -6.970 1.00 0.15 C ATOM 462 O ASN A 28 1.575 -2.314 -6.775 1.00 0.21 O ATOM 463 CB ASN A 28 2.436 0.686 -7.650 1.00 0.19 C ATOM 464 CG ASN A 28 2.053 2.066 -7.154 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.240 2.754 -7.771 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.640 2.478 -6.038 1.00 0.19 N ATOM 0 H ASN A 28 4.692 0.618 -6.637 1.00 0.13 H new ATOM 0 HA ASN A 28 2.124 -0.098 -5.671 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.283 0.771 -8.331 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.608 0.267 -8.222 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.423 3.399 -5.658 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.308 1.873 -5.560 1.00 0.19 H new ATOM 473 N ALA A 29 3.674 -2.265 -7.581 1.00 0.12 N ATOM 474 CA ALA A 29 3.637 -3.641 -8.064 1.00 0.12 C ATOM 475 C ALA A 29 3.461 -4.618 -6.909 1.00 0.11 C ATOM 476 O ALA A 29 2.755 -5.619 -7.031 1.00 0.15 O ATOM 477 CB ALA A 29 4.901 -3.966 -8.845 1.00 0.15 C ATOM 0 H ALA A 29 4.555 -1.780 -7.753 1.00 0.12 H new ATOM 0 HA ALA A 29 2.780 -3.743 -8.730 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.856 -4.996 -9.198 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.984 -3.294 -9.699 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.770 -3.841 -8.199 1.00 0.15 H new ATOM 483 N PHE A 30 4.110 -4.323 -5.786 1.00 0.10 N ATOM 484 CA PHE A 30 4.018 -5.175 -4.608 1.00 0.10 C ATOM 485 C PHE A 30 2.642 -5.046 -3.965 1.00 0.12 C ATOM 486 O PHE A 30 1.998 -6.050 -3.657 1.00 0.18 O ATOM 487 CB PHE A 30 5.118 -4.819 -3.605 1.00 0.12 C ATOM 488 CG PHE A 30 6.504 -5.065 -4.131 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.958 -6.355 -4.354 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.358 -4.004 -4.398 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.236 -6.584 -4.832 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.635 -4.227 -4.877 1.00 0.21 C ATOM 493 CZ PHE A 30 9.065 -5.521 -5.116 1.00 0.20 C ATOM 0 H PHE A 30 4.704 -3.502 -5.669 1.00 0.10 H new ATOM 0 HA PHE A 30 4.157 -6.211 -4.916 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.023 -3.769 -3.329 1.00 0.12 H new ATOM 0 HB3 PHE A 30 4.973 -5.402 -2.695 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.306 -7.192 -4.152 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.021 -2.992 -4.229 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.583 -7.595 -4.982 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.296 -3.394 -5.064 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.049 -5.697 -5.525 1.00 0.20 H new ATOM 503 N ILE A 31 2.197 -3.808 -3.767 1.00 0.10 N ATOM 504 CA ILE A 31 0.885 -3.551 -3.181 1.00 0.11 C ATOM 505 C ILE A 31 -0.202 -4.196 -4.036 1.00 0.11 C ATOM 506 O ILE A 31 -1.228 -4.651 -3.529 1.00 0.16 O ATOM 507 CB ILE A 31 0.620 -2.032 -3.053 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.616 -1.405 -2.071 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.814 -1.761 -2.613 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.453 0.091 -1.903 1.00 0.13 C ATOM 0 H ILE A 31 2.725 -2.968 -4.004 1.00 0.10 H new ATOM 0 HA ILE A 31 0.868 -3.986 -2.182 1.00 0.11 H new ATOM 0 HB ILE A 31 0.759 -1.575 -4.033 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.503 -1.884 -1.099 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.629 -1.614 -2.414 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.972 -0.686 -2.531 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.504 -2.175 -3.348 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.992 -2.229 -1.645 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.193 0.460 -1.193 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.596 0.583 -2.865 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.452 0.308 -1.530 1.00 0.13 H new ATOM 522 N GLN A 32 0.045 -4.230 -5.342 1.00 0.08 N ATOM 523 CA GLN A 32 -0.881 -4.821 -6.299 1.00 0.09 C ATOM 524 C GLN A 32 -1.047 -6.320 -6.059 1.00 0.11 C ATOM 525 O GLN A 32 -2.163 -6.812 -5.886 1.00 0.19 O ATOM 526 CB GLN A 32 -0.366 -4.582 -7.719 1.00 0.11 C ATOM 527 CG GLN A 32 -1.462 -4.343 -8.740 1.00 0.15 C ATOM 528 CD GLN A 32 -0.911 -4.050 -10.122 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.605 -3.202 -10.870 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 0.136 -4.570 -10.510 1.00 1.04 N flip ATOM 0 H GLN A 32 0.891 -3.849 -5.765 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.854 -4.348 -6.170 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.304 -3.722 -7.712 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.225 -5.443 -8.030 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.108 -5.220 -8.788 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.082 -3.508 -8.415 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.639 -5.217 -9.903 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.500 -4.353 -11.438 1.00 1.04 H new ATOM 539 N SER A 33 0.071 -7.042 -6.052 1.00 0.09 N ATOM 540 CA SER A 33 0.051 -8.489 -5.848 1.00 0.11 C ATOM 541 C SER A 33 -0.267 -8.851 -4.399 1.00 0.10 C ATOM 542 O SER A 33 -0.646 -9.985 -4.105 1.00 0.15 O ATOM 543 CB SER A 33 1.394 -9.099 -6.255 1.00 0.13 C ATOM 544 OG SER A 33 1.666 -8.865 -7.625 1.00 1.19 O ATOM 0 H SER A 33 1.003 -6.649 -6.185 1.00 0.09 H new ATOM 0 HA SER A 33 -0.739 -8.899 -6.477 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.190 -8.673 -5.645 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.383 -10.172 -6.061 1.00 0.13 H new ATOM 0 HG SER A 33 2.530 -9.263 -7.860 1.00 1.19 H new ATOM 550 N LEU A 34 -0.107 -7.889 -3.495 1.00 0.10 N ATOM 551 CA LEU A 34 -0.384 -8.120 -2.079 1.00 0.11 C ATOM 552 C LEU A 34 -1.887 -8.196 -1.840 1.00 0.13 C ATOM 553 O LEU A 34 -2.356 -8.902 -0.947 1.00 0.18 O ATOM 554 CB LEU A 34 0.214 -6.993 -1.230 1.00 0.10 C ATOM 555 CG LEU A 34 0.820 -7.418 0.113 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.358 -6.204 0.853 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.203 -8.150 0.969 1.00 0.17 C ATOM 0 H LEU A 34 0.212 -6.945 -3.715 1.00 0.10 H new ATOM 0 HA LEU A 34 0.072 -9.067 -1.789 1.00 0.11 H new ATOM 0 HB2 LEU A 34 0.987 -6.495 -1.815 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.565 -6.256 -1.038 1.00 0.10 H new ATOM 0 HG LEU A 34 1.643 -8.104 -0.087 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.786 -6.518 1.805 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.128 -5.722 0.250 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.546 -5.500 1.035 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.255 -8.439 1.915 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -1.052 -7.494 1.162 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.546 -9.042 0.444 1.00 0.17 H new ATOM 569 N LYS A 35 -2.637 -7.463 -2.654 1.00 0.15 N ATOM 570 CA LYS A 35 -4.088 -7.421 -2.538 1.00 0.19 C ATOM 571 C LYS A 35 -4.734 -8.652 -3.170 1.00 0.22 C ATOM 572 O LYS A 35 -5.687 -9.209 -2.628 1.00 0.31 O ATOM 573 CB LYS A 35 -4.617 -6.152 -3.204 1.00 0.23 C ATOM 574 CG LYS A 35 -6.093 -5.901 -2.964 1.00 0.23 C ATOM 575 CD LYS A 35 -6.367 -5.570 -1.507 1.00 0.24 C ATOM 576 CE LYS A 35 -7.833 -5.247 -1.279 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.706 -6.427 -1.534 1.00 0.46 N ATOM 0 H LYS A 35 -2.260 -6.886 -3.406 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.347 -7.416 -1.479 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.049 -5.297 -2.837 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.439 -6.216 -4.278 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.432 -5.080 -3.596 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.666 -6.782 -3.253 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.077 -6.413 -0.880 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.754 -4.721 -1.204 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.975 -4.905 -0.254 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.130 -4.427 -1.933 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.274 -6.260 -2.389 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.116 -7.273 -1.669 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.339 -6.573 -0.722 1.00 0.46 H new ATOM 591 N ASP A 36 -4.208 -9.072 -4.318 1.00 0.23 N ATOM 592 CA ASP A 36 -4.741 -10.231 -5.026 1.00 0.28 C ATOM 593 C ASP A 36 -4.154 -11.533 -4.489 1.00 0.25 C ATOM 594 O ASP A 36 -4.751 -12.600 -4.636 1.00 0.33 O ATOM 595 CB ASP A 36 -4.454 -10.111 -6.524 1.00 0.34 C ATOM 596 CG ASP A 36 -5.178 -8.941 -7.160 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.351 -9.112 -7.554 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.572 -7.854 -7.268 1.00 2.07 O ATOM 0 H ASP A 36 -3.413 -8.627 -4.777 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.818 -10.253 -4.863 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.381 -9.997 -6.677 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.751 -11.033 -7.023 1.00 0.34 H new ATOM 603 N ASP A 37 -2.983 -11.440 -3.866 1.00 0.20 N ATOM 604 CA ASP A 37 -2.317 -12.616 -3.315 1.00 0.22 C ATOM 605 C ASP A 37 -1.714 -12.316 -1.943 1.00 0.18 C ATOM 606 O ASP A 37 -0.505 -12.124 -1.818 1.00 0.16 O ATOM 607 CB ASP A 37 -1.223 -13.098 -4.270 1.00 0.27 C ATOM 608 CG ASP A 37 -1.760 -13.406 -5.653 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.262 -14.532 -5.858 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.679 -12.522 -6.533 1.00 1.29 O ATOM 0 H ASP A 37 -2.477 -10.565 -3.730 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.064 -13.401 -3.196 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.448 -12.335 -4.345 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.752 -13.991 -3.858 1.00 0.27 H new ATOM 615 N PRO A 38 -2.554 -12.270 -0.892 1.00 0.21 N ATOM 616 CA PRO A 38 -2.097 -11.995 0.477 1.00 0.21 C ATOM 617 C PRO A 38 -1.086 -13.027 0.971 1.00 0.21 C ATOM 618 O PRO A 38 -0.371 -12.790 1.945 1.00 0.23 O ATOM 619 CB PRO A 38 -3.383 -12.068 1.311 1.00 0.27 C ATOM 620 CG PRO A 38 -4.347 -12.830 0.468 1.00 0.30 C ATOM 621 CD PRO A 38 -4.010 -12.475 -0.949 1.00 0.26 C ATOM 0 HA PRO A 38 -1.584 -11.036 0.545 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.208 -12.570 2.263 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.761 -11.072 1.541 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.253 -13.903 0.637 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.376 -12.559 0.706 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.280 -13.272 -1.642 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.533 -11.577 -1.277 1.00 0.26 H new ATOM 629 N SER A 39 -1.034 -14.172 0.298 1.00 0.21 N ATOM 630 CA SER A 39 -0.110 -15.237 0.673 1.00 0.23 C ATOM 631 C SER A 39 1.325 -14.857 0.324 1.00 0.21 C ATOM 632 O SER A 39 2.275 -15.335 0.946 1.00 0.24 O ATOM 633 CB SER A 39 -0.489 -16.543 -0.028 1.00 0.26 C ATOM 634 OG SER A 39 0.387 -17.594 0.341 1.00 1.37 O ATOM 0 H SER A 39 -1.620 -14.386 -0.509 1.00 0.21 H new ATOM 0 HA SER A 39 -0.179 -15.380 1.751 1.00 0.23 H new ATOM 0 HB2 SER A 39 -1.514 -16.813 0.228 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.457 -16.402 -1.108 1.00 0.26 H new ATOM 0 HG SER A 39 0.122 -18.418 -0.119 1.00 1.37 H new ATOM 640 N GLN A 40 1.474 -13.991 -0.673 1.00 0.19 N ATOM 641 CA GLN A 40 2.790 -13.538 -1.110 1.00 0.18 C ATOM 642 C GLN A 40 3.308 -12.417 -0.215 1.00 0.16 C ATOM 643 O GLN A 40 4.383 -11.871 -0.453 1.00 0.16 O ATOM 644 CB GLN A 40 2.740 -13.063 -2.562 1.00 0.21 C ATOM 645 CG GLN A 40 2.220 -14.114 -3.529 1.00 0.27 C ATOM 646 CD GLN A 40 3.094 -15.353 -3.571 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.308 -15.277 -3.385 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.477 -16.503 -3.814 1.00 0.69 N ATOM 0 H GLN A 40 0.696 -13.587 -1.195 1.00 0.19 H new ATOM 0 HA GLN A 40 3.474 -14.383 -1.037 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.106 -12.179 -2.624 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.740 -12.760 -2.871 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.208 -14.398 -3.241 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.158 -13.684 -4.529 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.468 -16.519 -3.962 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.012 -17.371 -3.852 1.00 0.69 H new ATOM 657 N SER A 41 2.525 -12.070 0.803 1.00 0.17 N ATOM 658 CA SER A 41 2.892 -11.007 1.736 1.00 0.20 C ATOM 659 C SER A 41 4.351 -11.116 2.170 1.00 0.20 C ATOM 660 O SER A 41 5.000 -10.109 2.449 1.00 0.25 O ATOM 661 CB SER A 41 1.987 -11.050 2.967 1.00 0.23 C ATOM 662 OG SER A 41 1.966 -12.346 3.539 1.00 1.10 O ATOM 0 H SER A 41 1.628 -12.512 1.004 1.00 0.17 H new ATOM 0 HA SER A 41 2.762 -10.057 1.218 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.337 -10.329 3.705 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.975 -10.755 2.689 1.00 0.23 H new ATOM 0 HG SER A 41 1.213 -12.854 3.171 1.00 1.10 H new ATOM 668 N ALA A 42 4.859 -12.341 2.226 1.00 0.18 N ATOM 669 CA ALA A 42 6.241 -12.577 2.627 1.00 0.20 C ATOM 670 C ALA A 42 7.184 -12.504 1.430 1.00 0.17 C ATOM 671 O ALA A 42 8.330 -12.068 1.555 1.00 0.18 O ATOM 672 CB ALA A 42 6.365 -13.924 3.318 1.00 0.24 C ATOM 0 H ALA A 42 4.335 -13.186 1.999 1.00 0.18 H new ATOM 0 HA ALA A 42 6.528 -11.793 3.327 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.402 -14.088 3.612 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.730 -13.938 4.204 1.00 0.24 H new ATOM 0 HB3 ALA A 42 6.053 -14.714 2.635 1.00 0.24 H new ATOM 678 N ASN A 43 6.696 -12.933 0.269 1.00 0.16 N ATOM 679 CA ASN A 43 7.497 -12.917 -0.952 1.00 0.16 C ATOM 680 C ASN A 43 7.690 -11.495 -1.461 1.00 0.13 C ATOM 681 O ASN A 43 8.818 -11.019 -1.580 1.00 0.14 O ATOM 682 CB ASN A 43 6.830 -13.772 -2.031 1.00 0.18 C ATOM 683 CG ASN A 43 6.887 -15.254 -1.714 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.889 -15.744 -0.988 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.819 -15.950 -2.114 1.00 0.71 N flip ATOM 0 H ASN A 43 5.750 -13.296 0.148 1.00 0.16 H new ATOM 0 HA ASN A 43 8.477 -13.333 -0.719 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.789 -13.467 -2.140 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.318 -13.589 -2.988 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.566 -15.532 -2.669 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.845 -16.945 -1.890 1.00 0.71 H new ATOM 692 N LEU A 44 6.584 -10.826 -1.771 1.00 0.13 N ATOM 693 CA LEU A 44 6.625 -9.453 -2.263 1.00 0.12 C ATOM 694 C LEU A 44 7.455 -8.574 -1.334 1.00 0.11 C ATOM 695 O LEU A 44 8.151 -7.663 -1.782 1.00 0.12 O ATOM 696 CB LEU A 44 5.206 -8.902 -2.387 1.00 0.12 C ATOM 697 CG LEU A 44 4.275 -9.725 -3.279 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.825 -9.355 -3.024 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.630 -9.524 -4.745 1.00 0.23 C ATOM 0 H LEU A 44 5.644 -11.214 -1.690 1.00 0.13 H new ATOM 0 HA LEU A 44 7.094 -9.449 -3.247 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.768 -8.837 -1.391 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.258 -7.886 -2.779 1.00 0.12 H new ATOM 0 HG LEU A 44 4.406 -10.779 -3.034 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.179 -9.951 -3.668 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.578 -9.551 -1.981 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.676 -8.297 -3.240 1.00 0.16 H new ATOM 0 HD21 LEU A 44 3.958 -10.116 -5.367 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.528 -8.470 -5.003 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.658 -9.842 -4.917 1.00 0.23 H new ATOM 711 N LEU A 45 7.372 -8.854 -0.038 1.00 0.12 N ATOM 712 CA LEU A 45 8.128 -8.103 0.956 1.00 0.13 C ATOM 713 C LEU A 45 9.620 -8.286 0.723 1.00 0.13 C ATOM 714 O LEU A 45 10.360 -7.321 0.549 1.00 0.15 O ATOM 715 CB LEU A 45 7.772 -8.583 2.363 1.00 0.15 C ATOM 716 CG LEU A 45 7.270 -7.504 3.324 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.052 -8.093 4.709 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.249 -6.342 3.386 1.00 0.14 C ATOM 0 H LEU A 45 6.788 -9.596 0.348 1.00 0.12 H new ATOM 0 HA LEU A 45 7.873 -7.047 0.861 1.00 0.13 H new ATOM 0 HB2 LEU A 45 7.007 -9.355 2.281 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.653 -9.052 2.801 1.00 0.15 H new ATOM 0 HG LEU A 45 6.317 -7.126 2.952 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.695 -7.315 5.383 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.312 -8.892 4.652 1.00 0.18 H new ATOM 0 HD13 LEU A 45 7.992 -8.495 5.085 1.00 0.18 H new ATOM 0 HD21 LEU A 45 7.873 -5.586 4.075 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.218 -6.701 3.734 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.359 -5.906 2.393 1.00 0.14 H new ATOM 730 N ALA A 46 10.044 -9.544 0.728 1.00 0.14 N ATOM 731 CA ALA A 46 11.442 -9.897 0.514 1.00 0.15 C ATOM 732 C ALA A 46 11.938 -9.389 -0.833 1.00 0.15 C ATOM 733 O ALA A 46 13.111 -9.056 -0.991 1.00 0.20 O ATOM 734 CB ALA A 46 11.606 -11.406 0.598 1.00 0.16 C ATOM 0 H ALA A 46 9.431 -10.345 0.880 1.00 0.14 H new ATOM 0 HA ALA A 46 12.040 -9.422 1.291 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.652 -11.668 0.438 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.292 -11.752 1.583 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.992 -11.882 -0.166 1.00 0.16 H new ATOM 740 N GLU A 47 11.031 -9.332 -1.800 1.00 0.13 N ATOM 741 CA GLU A 47 11.364 -8.867 -3.140 1.00 0.15 C ATOM 742 C GLU A 47 11.489 -7.353 -3.165 1.00 0.13 C ATOM 743 O GLU A 47 12.231 -6.793 -3.972 1.00 0.17 O ATOM 744 CB GLU A 47 10.295 -9.317 -4.137 1.00 0.18 C ATOM 745 CG GLU A 47 10.335 -10.805 -4.441 1.00 0.28 C ATOM 746 CD GLU A 47 9.306 -11.216 -5.477 1.00 1.24 C ATOM 747 OE1 GLU A 47 8.153 -11.495 -5.090 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.654 -11.257 -6.676 1.00 1.09 O ATOM 0 H GLU A 47 10.055 -9.603 -1.680 1.00 0.13 H new ATOM 0 HA GLU A 47 12.322 -9.301 -3.425 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.312 -9.062 -3.742 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.420 -8.761 -5.066 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.330 -11.073 -4.796 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.163 -11.365 -3.522 1.00 0.28 H new ATOM 755 N ALA A 48 10.759 -6.695 -2.273 1.00 0.10 N ATOM 756 CA ALA A 48 10.789 -5.242 -2.186 1.00 0.10 C ATOM 757 C ALA A 48 12.007 -4.780 -1.400 1.00 0.11 C ATOM 758 O ALA A 48 12.650 -3.793 -1.753 1.00 0.12 O ATOM 759 CB ALA A 48 9.510 -4.723 -1.548 1.00 0.11 C ATOM 0 H ALA A 48 10.139 -7.145 -1.600 1.00 0.10 H new ATOM 0 HA ALA A 48 10.859 -4.836 -3.195 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.548 -3.635 -1.490 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.654 -5.025 -2.151 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.410 -5.137 -0.544 1.00 0.11 H new ATOM 765 N LYS A 49 12.312 -5.499 -0.326 1.00 0.12 N ATOM 766 CA LYS A 49 13.465 -5.188 0.504 1.00 0.14 C ATOM 767 C LYS A 49 14.744 -5.445 -0.280 1.00 0.14 C ATOM 768 O LYS A 49 15.723 -4.706 -0.165 1.00 0.17 O ATOM 769 CB LYS A 49 13.443 -6.051 1.766 1.00 0.14 C ATOM 770 CG LYS A 49 12.226 -5.811 2.644 1.00 0.14 C ATOM 771 CD LYS A 49 12.221 -6.736 3.850 1.00 0.16 C ATOM 772 CE LYS A 49 11.796 -8.145 3.475 1.00 0.16 C ATOM 773 NZ LYS A 49 11.802 -9.059 4.649 1.00 0.21 N ATOM 0 H LYS A 49 11.772 -6.305 -0.010 1.00 0.12 H new ATOM 0 HA LYS A 49 13.428 -4.138 0.793 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.472 -7.102 1.478 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.344 -5.855 2.347 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.216 -4.774 2.979 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.318 -5.966 2.061 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.217 -6.762 4.293 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.545 -6.342 4.608 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.797 -8.119 3.041 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.466 -8.534 2.709 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.506 -10.010 4.350 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.761 -9.105 5.049 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.143 -8.702 5.370 1.00 0.21 H new ATOM 787 N LYS A 50 14.716 -6.506 -1.078 1.00 0.13 N ATOM 788 CA LYS A 50 15.850 -6.883 -1.910 1.00 0.16 C ATOM 789 C LYS A 50 16.049 -5.860 -3.020 1.00 0.16 C ATOM 790 O LYS A 50 17.175 -5.502 -3.364 1.00 0.22 O ATOM 791 CB LYS A 50 15.606 -8.266 -2.517 1.00 0.17 C ATOM 792 CG LYS A 50 16.677 -8.705 -3.505 1.00 0.52 C ATOM 793 CD LYS A 50 16.329 -10.036 -4.153 1.00 0.51 C ATOM 794 CE LYS A 50 16.320 -11.169 -3.139 1.00 1.36 C ATOM 795 NZ LYS A 50 15.858 -12.450 -3.739 1.00 2.10 N ATOM 0 H LYS A 50 13.911 -7.126 -1.166 1.00 0.13 H new ATOM 0 HA LYS A 50 16.748 -6.913 -1.293 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.545 -8.999 -1.713 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.639 -8.265 -3.021 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.795 -7.944 -4.276 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.634 -8.789 -2.991 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.351 -9.965 -4.628 1.00 0.51 H new ATOM 0 HD3 LYS A 50 17.050 -10.257 -4.940 1.00 0.51 H new ATOM 0 HE2 LYS A 50 17.323 -11.300 -2.733 1.00 1.36 H new ATOM 0 HE3 LYS A 50 15.670 -10.904 -2.305 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 15.867 -13.196 -3.014 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 14.891 -12.334 -4.104 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 16.493 -12.717 -4.518 1.00 2.10 H new ATOM 809 N LEU A 51 14.934 -5.395 -3.570 1.00 0.14 N ATOM 810 CA LEU A 51 14.951 -4.412 -4.644 1.00 0.15 C ATOM 811 C LEU A 51 15.367 -3.047 -4.120 1.00 0.15 C ATOM 812 O LEU A 51 16.061 -2.290 -4.799 1.00 0.18 O ATOM 813 CB LEU A 51 13.566 -4.331 -5.284 1.00 0.15 C ATOM 814 CG LEU A 51 13.461 -3.457 -6.536 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.575 -3.783 -7.524 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.098 -3.645 -7.184 1.00 0.18 C ATOM 0 H LEU A 51 13.999 -5.687 -3.286 1.00 0.14 H new ATOM 0 HA LEU A 51 15.679 -4.723 -5.393 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.246 -5.341 -5.541 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.864 -3.953 -4.540 1.00 0.15 H new ATOM 0 HG LEU A 51 13.572 -2.413 -6.242 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.478 -3.148 -8.405 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.542 -3.605 -7.054 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.503 -4.829 -7.821 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.029 -3.020 -8.075 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.969 -4.691 -7.463 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.317 -3.359 -6.479 1.00 0.18 H new ATOM 828 N ASN A 52 14.935 -2.741 -2.904 1.00 0.15 N ATOM 829 CA ASN A 52 15.263 -1.472 -2.272 1.00 0.18 C ATOM 830 C ASN A 52 16.752 -1.417 -1.967 1.00 0.17 C ATOM 831 O ASN A 52 17.375 -0.358 -2.031 1.00 0.17 O ATOM 832 CB ASN A 52 14.455 -1.290 -0.985 1.00 0.26 C ATOM 833 CG ASN A 52 14.717 0.047 -0.318 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.046 1.037 -0.604 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.693 0.081 0.581 1.00 0.21 N ATOM 0 H ASN A 52 14.355 -3.357 -2.335 1.00 0.15 H new ATOM 0 HA ASN A 52 15.008 -0.663 -2.957 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.392 -1.377 -1.212 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.699 -2.093 -0.290 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.911 0.952 1.065 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.225 -0.764 0.788 1.00 0.21 H new ATOM 842 N ASP A 53 17.314 -2.576 -1.640 1.00 0.18 N ATOM 843 CA ASP A 53 18.732 -2.678 -1.335 1.00 0.20 C ATOM 844 C ASP A 53 19.545 -2.744 -2.622 1.00 0.22 C ATOM 845 O ASP A 53 20.747 -2.480 -2.628 1.00 0.25 O ATOM 846 CB ASP A 53 19.006 -3.913 -0.474 1.00 0.23 C ATOM 847 CG ASP A 53 20.484 -4.112 -0.198 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.023 -3.414 0.687 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.103 -4.966 -0.867 1.00 0.34 O ATOM 0 H ASP A 53 16.806 -3.458 -1.580 1.00 0.18 H new ATOM 0 HA ASP A 53 19.031 -1.791 -0.776 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.473 -3.818 0.472 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.611 -4.797 -0.976 1.00 0.23 H new ATOM 854 N ALA A 54 18.871 -3.097 -3.712 1.00 0.22 N ATOM 855 CA ALA A 54 19.516 -3.199 -5.014 1.00 0.26 C ATOM 856 C ALA A 54 19.804 -1.817 -5.586 1.00 0.28 C ATOM 857 O ALA A 54 20.796 -1.614 -6.285 1.00 0.32 O ATOM 858 CB ALA A 54 18.643 -3.995 -5.973 1.00 0.27 C ATOM 0 H ALA A 54 17.875 -3.318 -3.718 1.00 0.22 H new ATOM 0 HA ALA A 54 20.465 -3.720 -4.886 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.137 -4.064 -6.942 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.485 -4.997 -5.574 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.682 -3.495 -6.090 1.00 0.27 H new ATOM 864 N GLN A 55 18.924 -0.870 -5.280 1.00 0.27 N ATOM 865 CA GLN A 55 19.069 0.499 -5.757 1.00 0.31 C ATOM 866 C GLN A 55 19.674 1.387 -4.675 1.00 0.33 C ATOM 867 O GLN A 55 19.863 2.588 -4.874 1.00 0.41 O ATOM 868 CB GLN A 55 17.708 1.052 -6.180 1.00 0.32 C ATOM 869 CG GLN A 55 16.926 0.114 -7.084 1.00 0.32 C ATOM 870 CD GLN A 55 15.578 0.679 -7.488 1.00 0.36 C ATOM 871 OE1 GLN A 55 15.101 0.440 -8.596 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.949 1.426 -6.583 1.00 0.29 N ATOM 0 H GLN A 55 18.099 -1.027 -4.701 1.00 0.27 H new ATOM 0 HA GLN A 55 19.739 0.494 -6.616 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.117 1.261 -5.288 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.855 2.001 -6.695 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.512 -0.093 -7.980 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.778 -0.837 -6.573 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.381 1.599 -5.675 1.00 0.29 H new ATOM 0 HE22 GLN A 55 14.035 1.825 -6.797 1.00 0.29 H new ATOM 881 N ALA A 56 19.976 0.786 -3.528 1.00 0.28 N ATOM 882 CA ALA A 56 20.552 1.513 -2.407 1.00 0.31 C ATOM 883 C ALA A 56 21.919 2.098 -2.763 1.00 0.39 C ATOM 884 O ALA A 56 22.680 1.495 -3.522 1.00 0.44 O ATOM 885 CB ALA A 56 20.666 0.602 -1.196 1.00 0.29 C ATOM 0 H ALA A 56 19.829 -0.208 -3.352 1.00 0.28 H new ATOM 0 HA ALA A 56 19.888 2.343 -2.168 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.098 1.156 -0.363 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.676 0.242 -0.917 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.306 -0.247 -1.438 1.00 0.29 H new ATOM 891 N PRO A 57 22.249 3.285 -2.216 1.00 0.45 N ATOM 892 CA PRO A 57 23.531 3.949 -2.472 1.00 0.54 C ATOM 893 C PRO A 57 24.703 3.195 -1.855 1.00 0.63 C ATOM 894 O PRO A 57 24.583 2.021 -1.507 1.00 0.83 O ATOM 895 CB PRO A 57 23.378 5.325 -1.811 1.00 0.68 C ATOM 896 CG PRO A 57 21.924 5.468 -1.503 1.00 0.61 C ATOM 897 CD PRO A 57 21.399 4.076 -1.316 1.00 0.47 C ATOM 0 HA PRO A 57 23.748 4.003 -3.539 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.978 5.392 -0.904 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.717 6.119 -2.477 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.773 6.065 -0.604 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.402 5.976 -2.314 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.488 3.746 -0.281 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.345 4.001 -1.585 1.00 0.47 H new ATOM 905 N LYS A 58 25.835 3.879 -1.720 1.00 0.75 N ATOM 906 CA LYS A 58 27.030 3.275 -1.143 1.00 0.91 C ATOM 907 C LYS A 58 27.464 4.017 0.118 1.00 1.37 C ATOM 908 O LYS A 58 28.223 5.002 -0.006 1.00 1.85 O ATOM 909 CB LYS A 58 28.170 3.270 -2.165 1.00 1.12 C ATOM 910 CG LYS A 58 27.820 2.564 -3.468 1.00 2.01 C ATOM 911 CD LYS A 58 27.468 1.100 -3.243 1.00 2.90 C ATOM 912 CE LYS A 58 28.668 0.301 -2.764 1.00 3.59 C ATOM 913 NZ LYS A 58 28.343 -1.143 -2.592 1.00 4.27 N ATOM 914 OXT LYS A 58 27.042 3.607 1.220 1.00 2.03 O ATOM 0 H LYS A 58 25.949 4.852 -2.003 1.00 0.75 H new ATOM 0 HA LYS A 58 26.790 2.247 -0.871 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.454 4.299 -2.385 1.00 1.12 H new ATOM 0 HB3 LYS A 58 29.041 2.786 -1.722 1.00 1.12 H new ATOM 0 HG2 LYS A 58 26.979 3.071 -3.941 1.00 2.01 H new ATOM 0 HG3 LYS A 58 28.662 2.633 -4.156 1.00 2.01 H new ATOM 0 HD2 LYS A 58 26.666 1.027 -2.509 1.00 2.90 H new ATOM 0 HD3 LYS A 58 27.091 0.670 -4.171 1.00 2.90 H new ATOM 0 HE2 LYS A 58 29.483 0.407 -3.480 1.00 3.59 H new ATOM 0 HE3 LYS A 58 29.021 0.709 -1.817 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 29.188 -1.652 -2.264 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 27.583 -1.246 -1.890 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 28.031 -1.539 -3.501 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 12.017 10.469 -0.273 1.00 3.48 N ATOM 930 CA VAL B 101 11.978 11.148 1.048 1.00 2.61 C ATOM 931 C VAL B 101 10.937 10.503 1.959 1.00 2.18 C ATOM 932 O VAL B 101 9.749 10.473 1.638 1.00 2.41 O ATOM 933 CB VAL B 101 11.651 12.648 0.893 1.00 2.67 C ATOM 934 CG1 VAL B 101 11.797 13.370 2.223 1.00 2.50 C ATOM 935 CG2 VAL B 101 12.542 13.283 -0.164 1.00 3.29 C ATOM 0 HA VAL B 101 12.966 11.043 1.495 1.00 2.61 H new ATOM 0 HB VAL B 101 10.615 12.741 0.568 1.00 2.67 H new ATOM 0 HG11 VAL B 101 11.562 14.426 2.091 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.113 12.934 2.951 1.00 2.50 H new ATOM 0 HG13 VAL B 101 12.821 13.268 2.582 1.00 2.50 H new ATOM 0 HG21 VAL B 101 12.297 14.341 -0.259 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.586 13.178 0.130 1.00 3.29 H new ATOM 0 HG23 VAL B 101 12.382 12.786 -1.121 1.00 3.29 H new ATOM 947 N ASP B 102 11.391 9.987 3.099 1.00 1.82 N ATOM 948 CA ASP B 102 10.497 9.336 4.052 1.00 1.99 C ATOM 949 C ASP B 102 9.813 10.360 4.951 1.00 1.57 C ATOM 950 O ASP B 102 8.825 10.054 5.617 1.00 1.98 O ATOM 951 CB ASP B 102 11.273 8.329 4.903 1.00 2.35 C ATOM 952 CG ASP B 102 10.371 7.540 5.834 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.145 8.001 6.973 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.892 6.462 5.424 1.00 3.25 O ATOM 0 H ASP B 102 12.370 10.007 3.384 1.00 1.82 H new ATOM 0 HA ASP B 102 9.728 8.810 3.487 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.807 7.640 4.249 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.024 8.857 5.491 1.00 2.35 H new ATOM 959 N ASN B 103 10.344 11.579 4.964 1.00 1.11 N ATOM 960 CA ASN B 103 9.784 12.649 5.782 1.00 1.29 C ATOM 961 C ASN B 103 8.370 13.005 5.333 1.00 1.11 C ATOM 962 O ASN B 103 7.541 13.425 6.140 1.00 1.40 O ATOM 963 CB ASN B 103 10.681 13.887 5.722 1.00 1.77 C ATOM 964 CG ASN B 103 12.048 13.639 6.331 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.264 13.882 7.519 1.00 2.84 O ATOM 966 ND2 ASN B 103 12.977 13.151 5.519 1.00 2.04 N ATOM 0 H ASN B 103 11.161 11.850 4.417 1.00 1.11 H new ATOM 0 HA ASN B 103 9.734 12.293 6.811 1.00 1.29 H new ATOM 0 HB2 ASN B 103 10.799 14.197 4.684 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.196 14.710 6.247 1.00 1.77 H new ATOM 0 HD21 ASN B 103 13.915 12.962 5.872 1.00 2.04 H new ATOM 0 HD22 ASN B 103 12.753 12.965 4.541 1.00 2.04 H new ATOM 973 N LYS B 104 8.102 12.835 4.039 1.00 0.91 N ATOM 974 CA LYS B 104 6.789 13.138 3.483 1.00 0.83 C ATOM 975 C LYS B 104 5.684 12.412 4.245 1.00 0.58 C ATOM 976 O LYS B 104 4.695 13.022 4.652 1.00 0.72 O ATOM 977 CB LYS B 104 6.745 12.754 2.007 1.00 0.98 C ATOM 978 CG LYS B 104 7.813 13.447 1.182 1.00 1.29 C ATOM 979 CD LYS B 104 7.868 12.909 -0.240 1.00 1.55 C ATOM 980 CE LYS B 104 6.612 13.265 -1.019 1.00 1.61 C ATOM 981 NZ LYS B 104 6.429 14.738 -1.134 1.00 2.12 N ATOM 0 H LYS B 104 8.778 12.489 3.358 1.00 0.91 H new ATOM 0 HA LYS B 104 6.620 14.210 3.582 1.00 0.83 H new ATOM 0 HB2 LYS B 104 6.866 11.675 1.914 1.00 0.98 H new ATOM 0 HB3 LYS B 104 5.764 13.001 1.602 1.00 0.98 H new ATOM 0 HG2 LYS B 104 7.615 14.519 1.158 1.00 1.29 H new ATOM 0 HG3 LYS B 104 8.784 13.313 1.659 1.00 1.29 H new ATOM 0 HD2 LYS B 104 8.741 13.315 -0.750 1.00 1.55 H new ATOM 0 HD3 LYS B 104 7.988 11.826 -0.216 1.00 1.55 H new ATOM 0 HE2 LYS B 104 6.667 12.827 -2.016 1.00 1.61 H new ATOM 0 HE3 LYS B 104 5.743 12.829 -0.526 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 5.762 14.946 -1.904 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 6.053 15.112 -0.240 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 7.345 15.187 -1.339 1.00 2.12 H new ATOM 995 N PHE B 105 5.860 11.108 4.434 1.00 0.46 N ATOM 996 CA PHE B 105 4.877 10.296 5.146 1.00 0.37 C ATOM 997 C PHE B 105 5.532 9.532 6.294 1.00 0.57 C ATOM 998 O PHE B 105 6.541 8.852 6.106 1.00 1.14 O ATOM 999 CB PHE B 105 4.190 9.322 4.182 1.00 0.49 C ATOM 1000 CG PHE B 105 5.139 8.437 3.425 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.892 8.938 2.374 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.276 7.101 3.764 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.763 8.124 1.677 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.147 6.282 3.071 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.892 6.793 2.026 1.00 1.19 C ATOM 0 H PHE B 105 6.674 10.590 4.104 1.00 0.46 H new ATOM 0 HA PHE B 105 4.124 10.963 5.565 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.498 8.696 4.746 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.595 9.892 3.469 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.796 9.977 2.097 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.696 6.695 4.579 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.343 8.527 0.860 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.245 5.242 3.346 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.573 6.154 1.483 1.00 1.19 H new ATOM 1015 N ASN B 106 4.948 9.647 7.485 1.00 0.51 N ATOM 1016 CA ASN B 106 5.480 8.976 8.666 1.00 0.67 C ATOM 1017 C ASN B 106 4.454 8.019 9.263 1.00 0.67 C ATOM 1018 O ASN B 106 4.633 6.803 9.229 1.00 0.82 O ATOM 1019 CB ASN B 106 5.891 10.007 9.720 1.00 0.81 C ATOM 1020 CG ASN B 106 6.079 11.392 9.133 1.00 0.84 C ATOM 1021 OD1 ASN B 106 7.181 11.766 8.733 1.00 1.17 O ATOM 1022 ND2 ASN B 106 4.995 12.158 9.075 1.00 0.78 N ATOM 0 H ASN B 106 4.107 10.198 7.656 1.00 0.51 H new ATOM 0 HA ASN B 106 6.354 8.401 8.359 1.00 0.67 H new ATOM 0 HB2 ASN B 106 5.131 10.047 10.501 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.819 9.687 10.194 1.00 0.81 H new ATOM 0 HD21 ASN B 106 5.056 13.099 8.686 1.00 0.78 H new ATOM 0 HD22 ASN B 106 4.102 11.805 9.419 1.00 0.78 H new ATOM 1029 N LYS B 107 3.382 8.580 9.816 1.00 0.62 N ATOM 1030 CA LYS B 107 2.324 7.780 10.425 1.00 0.63 C ATOM 1031 C LYS B 107 0.954 8.223 9.933 1.00 0.54 C ATOM 1032 O LYS B 107 0.206 7.436 9.353 1.00 0.45 O ATOM 1033 CB LYS B 107 2.379 7.905 11.945 1.00 0.79 C ATOM 1034 CG LYS B 107 1.299 7.108 12.657 1.00 0.80 C ATOM 1035 CD LYS B 107 1.348 7.321 14.162 1.00 1.00 C ATOM 1036 CE LYS B 107 0.915 8.729 14.545 1.00 1.07 C ATOM 1037 NZ LYS B 107 1.098 8.988 16.000 1.00 1.78 N ATOM 0 H LYS B 107 3.223 9.587 9.855 1.00 0.62 H new ATOM 0 HA LYS B 107 2.481 6.741 10.137 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.356 7.571 12.294 1.00 0.79 H new ATOM 0 HB3 LYS B 107 2.285 8.956 12.219 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.320 7.402 12.279 1.00 0.80 H new ATOM 0 HG3 LYS B 107 1.422 6.048 12.435 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.701 6.595 14.654 1.00 1.00 H new ATOM 0 HD3 LYS B 107 2.361 7.141 14.522 1.00 1.00 H new ATOM 0 HE2 LYS B 107 1.491 9.455 13.971 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -0.132 8.872 14.279 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 0.792 9.957 16.221 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 0.528 8.312 16.547 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 2.102 8.877 16.249 1.00 1.78 H new ATOM 1051 N GLU B 108 0.633 9.485 10.193 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.644 10.067 9.783 1.00 0.62 C ATOM 1053 C GLU B 108 -1.010 9.656 8.360 1.00 0.49 C ATOM 1054 O GLU B 108 -2.182 9.443 8.047 1.00 0.53 O ATOM 1055 CB GLU B 108 -0.579 11.591 9.883 1.00 0.74 C ATOM 1056 CG GLU B 108 -0.530 12.106 11.311 1.00 0.87 C ATOM 1057 CD GLU B 108 -0.487 13.620 11.385 1.00 1.09 C ATOM 1058 OE1 GLU B 108 0.622 14.187 11.291 1.00 1.37 O ATOM 1059 OE2 GLU B 108 -1.561 14.239 11.537 1.00 1.16 O ATOM 0 H GLU B 108 1.245 10.132 10.691 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.416 9.691 10.454 1.00 0.62 H new ATOM 0 HB2 GLU B 108 0.302 11.944 9.348 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -1.448 12.017 9.382 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -1.403 11.744 11.854 1.00 0.87 H new ATOM 0 HG3 GLU B 108 0.348 11.697 11.811 1.00 0.87 H new ATOM 1066 N THR B 109 0.000 9.549 7.505 1.00 0.39 N ATOM 1067 CA THR B 109 -0.209 9.160 6.115 1.00 0.28 C ATOM 1068 C THR B 109 -0.390 7.651 5.994 1.00 0.25 C ATOM 1069 O THR B 109 -1.181 7.171 5.182 1.00 0.27 O ATOM 1070 CB THR B 109 0.973 9.604 5.230 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.105 11.030 5.270 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.780 9.149 3.791 1.00 0.27 C ATOM 0 H THR B 109 0.974 9.727 7.750 1.00 0.39 H new ATOM 0 HA THR B 109 -1.115 9.658 5.772 1.00 0.28 H new ATOM 0 HB THR B 109 1.880 9.142 5.619 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.946 11.293 4.842 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.628 9.476 3.189 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.710 8.062 3.759 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.137 9.583 3.392 1.00 0.27 H new ATOM 1080 N GLN B 110 0.352 6.908 6.808 1.00 0.30 N ATOM 1081 CA GLN B 110 0.280 5.452 6.801 1.00 0.32 C ATOM 1082 C GLN B 110 -1.108 4.965 7.203 1.00 0.30 C ATOM 1083 O GLN B 110 -1.527 3.874 6.814 1.00 0.30 O ATOM 1084 CB GLN B 110 1.332 4.871 7.743 1.00 0.42 C ATOM 1085 CG GLN B 110 2.755 5.110 7.271 1.00 0.48 C ATOM 1086 CD GLN B 110 3.786 4.390 8.117 1.00 0.85 C ATOM 1087 OE1 GLN B 110 3.512 4.260 9.410 1.00 1.34 O flip ATOM 1088 NE2 GLN B 110 4.826 3.966 7.615 1.00 1.38 N flip ATOM 0 H GLN B 110 1.013 7.292 7.483 1.00 0.30 H new ATOM 0 HA GLN B 110 0.477 5.109 5.785 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.206 5.310 8.733 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.166 3.799 7.846 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.849 4.782 6.236 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.963 6.180 7.287 1.00 0.48 H new ATOM 0 HE21 GLN B 110 4.997 4.087 6.617 1.00 1.38 H new ATOM 0 HE22 GLN B 110 5.518 3.493 8.197 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.818 5.774 7.983 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.159 5.412 8.424 1.00 0.30 C ATOM 1099 C GLU B 111 -4.095 5.366 7.228 1.00 0.28 C ATOM 1100 O GLU B 111 -4.826 4.396 7.031 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.678 6.415 9.457 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.705 6.673 10.594 1.00 0.38 C ATOM 1103 CD GLU B 111 -3.290 7.568 11.669 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.244 8.805 11.502 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -3.794 7.033 12.678 1.00 1.04 O ATOM 0 H GLU B 111 -1.489 6.679 8.321 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.120 4.428 8.891 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.898 7.358 8.957 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.617 6.046 9.870 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -2.411 5.722 11.038 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -1.800 7.133 10.196 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.057 6.426 6.431 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.884 6.519 5.237 1.00 0.17 C ATOM 1114 C ALA B 112 -4.449 5.484 4.206 1.00 0.13 C ATOM 1115 O ALA B 112 -5.249 5.034 3.384 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.798 7.919 4.651 1.00 0.17 C ATOM 0 H ALA B 112 -3.459 7.237 6.592 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.919 6.316 5.512 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.420 7.978 3.758 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.148 8.643 5.386 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.764 8.140 4.388 1.00 0.17 H new ATOM 1122 N SER B 113 -3.174 5.112 4.258 1.00 0.13 N ATOM 1123 CA SER B 113 -2.620 4.128 3.337 1.00 0.11 C ATOM 1124 C SER B 113 -3.232 2.752 3.584 1.00 0.10 C ATOM 1125 O SER B 113 -3.680 2.084 2.653 1.00 0.12 O ATOM 1126 CB SER B 113 -1.100 4.057 3.488 1.00 0.15 C ATOM 1127 OG SER B 113 -0.503 5.320 3.244 1.00 0.92 O ATOM 0 H SER B 113 -2.503 5.480 4.932 1.00 0.13 H new ATOM 0 HA SER B 113 -2.862 4.439 2.321 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.847 3.720 4.493 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.696 3.320 2.793 1.00 0.15 H new ATOM 0 HG SER B 113 -0.715 5.930 3.981 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.252 2.337 4.847 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.807 1.040 5.214 1.00 0.10 C ATOM 1135 C TRP B 114 -5.305 0.984 4.928 1.00 0.12 C ATOM 1136 O TRP B 114 -5.809 -0.019 4.426 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.541 0.743 6.693 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.043 -0.600 7.131 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.916 -0.857 8.148 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.702 -1.871 6.565 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.144 -2.208 8.245 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.410 -2.851 7.284 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.869 -2.273 5.519 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.311 -4.209 6.989 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.771 -3.621 5.226 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.489 -4.574 5.960 1.00 0.23 C ATOM 0 H TRP B 114 -2.891 2.879 5.632 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.315 0.280 4.607 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.469 0.800 6.880 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.013 1.515 7.301 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.363 -0.107 8.784 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.759 -2.659 8.922 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.311 -1.545 4.949 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.863 -4.946 7.553 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.131 -3.944 4.418 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.391 -5.619 5.707 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.010 2.068 5.247 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.451 2.135 5.020 1.00 0.18 C ATOM 1159 C GLU B 115 -7.785 1.880 3.554 1.00 0.19 C ATOM 1160 O GLU B 115 -8.830 1.311 3.234 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.999 3.499 5.449 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.898 3.754 6.946 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.610 2.698 7.768 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -9.849 2.780 7.896 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -7.927 1.789 8.286 1.00 2.03 O ATOM 0 H GLU B 115 -5.608 2.909 5.662 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.921 1.358 5.623 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.457 4.282 4.918 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.043 3.573 5.146 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.847 3.786 7.235 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.321 4.732 7.173 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.895 2.309 2.665 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.089 2.119 1.233 1.00 0.12 C ATOM 1174 C ILE B 116 -6.913 0.651 0.847 1.00 0.10 C ATOM 1175 O ILE B 116 -7.583 0.151 -0.056 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.107 2.994 0.422 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.510 4.466 0.534 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.068 2.559 -1.036 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.406 5.429 0.160 1.00 0.11 C ATOM 0 H ILE B 116 -6.031 2.791 2.912 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.108 2.424 0.996 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.106 2.868 0.835 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.371 4.648 -0.109 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.827 4.670 1.557 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.370 3.190 -1.585 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.744 1.520 -1.097 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.063 2.655 -1.471 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.766 6.453 0.264 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.551 5.276 0.819 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.104 5.253 -0.873 1.00 0.11 H new ATOM 1191 N PHE B 117 -6.015 -0.035 1.547 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.743 -1.443 1.282 1.00 0.09 C ATOM 1193 C PHE B 117 -6.793 -2.337 1.940 1.00 0.11 C ATOM 1194 O PHE B 117 -7.045 -3.452 1.486 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.349 -1.810 1.798 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.814 -3.103 1.247 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -4.153 -4.316 1.827 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.963 -3.104 0.153 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.656 -5.504 1.323 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.463 -4.288 -0.355 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.810 -5.490 0.231 1.00 0.20 C ATOM 0 H PHE B 117 -5.461 0.364 2.305 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.785 -1.603 0.205 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.657 -1.006 1.548 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.381 -1.876 2.886 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.813 -4.333 2.682 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.687 -2.167 -0.308 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.929 -6.442 1.783 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.802 -4.274 -1.209 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.421 -6.417 -0.164 1.00 0.20 H new ATOM 1211 N THR B 118 -7.404 -1.837 3.011 1.00 0.12 N ATOM 1212 CA THR B 118 -8.416 -2.594 3.742 1.00 0.16 C ATOM 1213 C THR B 118 -9.727 -2.681 2.971 1.00 0.18 C ATOM 1214 O THR B 118 -10.652 -3.381 3.384 1.00 0.34 O ATOM 1215 CB THR B 118 -8.687 -1.980 5.127 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.060 -0.605 4.991 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.459 -2.094 6.014 1.00 0.20 C ATOM 0 H THR B 118 -7.216 -0.910 3.392 1.00 0.12 H new ATOM 0 HA THR B 118 -8.014 -3.600 3.867 1.00 0.16 H new ATOM 0 HB THR B 118 -9.505 -2.530 5.592 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.897 -0.311 4.070 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.672 -1.654 6.988 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.197 -3.145 6.140 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.626 -1.565 5.551 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.808 -1.970 1.852 1.00 0.14 N ATOM 1226 CA LEU B 119 -11.010 -1.983 1.030 1.00 0.14 C ATOM 1227 C LEU B 119 -11.101 -3.310 0.270 1.00 0.15 C ATOM 1228 O LEU B 119 -10.176 -3.677 -0.452 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.996 -0.794 0.067 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.932 0.577 0.753 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.749 1.684 -0.270 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.187 0.823 1.577 1.00 1.01 C ATOM 0 H LEU B 119 -9.057 -1.379 1.495 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.890 -1.892 1.667 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.140 -0.893 -0.601 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.891 -0.835 -0.554 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.071 0.580 1.421 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.706 2.647 0.239 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.821 1.522 -0.819 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.588 1.679 -0.966 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.122 1.800 2.055 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.061 0.795 0.926 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.278 0.051 2.341 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.224 -4.045 0.414 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.398 -5.352 -0.227 1.00 0.26 C ATOM 1246 C PRO B 120 -12.794 -5.272 -1.698 1.00 0.26 C ATOM 1247 O PRO B 120 -12.375 -6.104 -2.503 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.521 -5.982 0.592 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.350 -4.831 1.051 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.419 -3.654 1.193 1.00 0.35 C ATOM 0 HA PRO B 120 -11.466 -5.917 -0.237 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.107 -6.677 -0.009 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -13.126 -6.547 1.437 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -15.141 -4.614 0.333 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.834 -5.058 2.001 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.868 -2.741 0.803 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -13.170 -3.466 2.237 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.600 -4.278 -2.049 1.00 0.22 N ATOM 1259 CA ASN B 121 -14.052 -4.123 -3.427 1.00 0.23 C ATOM 1260 C ASN B 121 -12.914 -3.679 -4.339 1.00 0.19 C ATOM 1261 O ASN B 121 -12.957 -3.904 -5.548 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.213 -3.128 -3.509 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.537 -3.753 -3.109 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.220 -4.363 -3.931 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.910 -3.598 -1.844 1.00 0.50 N ATOM 0 H ASN B 121 -13.953 -3.571 -1.404 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.400 -5.098 -3.769 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -15.005 -2.277 -2.861 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.288 -2.744 -4.526 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.793 -3.992 -1.521 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.313 -3.085 -1.195 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.896 -3.050 -3.761 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.759 -2.587 -4.544 1.00 0.13 C ATOM 1274 C LEU B 122 -9.719 -3.679 -4.730 1.00 0.16 C ATOM 1275 O LEU B 122 -9.403 -4.423 -3.801 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.124 -1.362 -3.890 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.598 -0.022 -4.450 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.112 0.000 -4.572 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.114 1.118 -3.571 1.00 0.19 C ATOM 0 H LEU B 122 -11.836 -2.851 -2.762 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.133 -2.313 -5.531 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.334 -1.388 -2.821 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.042 -1.426 -4.004 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.175 0.107 -5.446 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.431 0.962 -4.973 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.435 -0.797 -5.242 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.558 -0.150 -3.589 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.459 2.066 -3.982 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.510 0.994 -2.563 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.025 1.113 -3.536 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.193 -3.763 -5.945 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.178 -4.753 -6.280 1.00 0.20 C ATOM 1293 C ASN B 123 -6.793 -4.225 -5.948 1.00 0.19 C ATOM 1294 O ASN B 123 -6.656 -3.190 -5.298 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.238 -5.109 -7.765 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.650 -5.141 -8.305 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.595 -5.484 -7.595 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -9.798 -4.776 -9.570 1.00 1.39 N ATOM 0 H ASN B 123 -9.455 -3.153 -6.719 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.376 -5.648 -5.690 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.654 -4.384 -8.331 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.773 -6.083 -7.919 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.726 -4.772 -9.994 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -8.984 -4.499 -10.120 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.768 -4.934 -6.401 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.409 -4.505 -6.146 1.00 0.11 C ATOM 1307 C GLY B 124 -4.035 -3.297 -6.980 1.00 0.11 C ATOM 1308 O GLY B 124 -3.248 -2.454 -6.550 1.00 0.17 O ATOM 0 H GLY B 124 -5.854 -5.796 -6.939 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.296 -4.266 -5.089 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.723 -5.323 -6.363 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.610 -3.216 -8.175 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.340 -2.109 -9.085 1.00 0.14 C ATOM 1314 C ARG B 125 -4.975 -0.818 -8.579 1.00 0.12 C ATOM 1315 O ARG B 125 -4.337 0.234 -8.561 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.872 -2.436 -10.484 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.655 -3.882 -10.900 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.117 -4.128 -12.329 1.00 0.90 C ATOM 1319 NE ARG B 125 -6.533 -3.823 -12.506 1.00 1.75 N ATOM 1320 CZ ARG B 125 -7.205 -4.060 -13.629 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -6.594 -4.616 -14.668 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -8.489 -3.744 -13.712 1.00 3.25 N ATOM 0 H ARG B 125 -5.268 -3.906 -8.537 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.261 -1.966 -9.134 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.939 -2.214 -10.518 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.387 -1.782 -11.209 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.598 -4.133 -10.810 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.197 -4.542 -10.223 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.526 -3.517 -13.011 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.934 -5.169 -12.595 1.00 0.90 H new ATOM 0 HE ARG B 125 -7.036 -3.404 -11.724 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -5.606 -4.863 -14.607 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -7.112 -4.796 -15.528 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -8.962 -3.319 -12.915 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -9.004 -3.926 -14.573 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.237 -0.909 -8.169 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.970 0.249 -7.671 1.00 0.11 C ATOM 1338 C GLN B 126 -6.331 0.820 -6.406 1.00 0.09 C ATOM 1339 O GLN B 126 -6.066 2.018 -6.326 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.425 -0.132 -7.398 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.054 -0.943 -8.519 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.541 -1.158 -8.323 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -10.964 -2.135 -7.705 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.343 -0.246 -8.855 1.00 0.64 N ATOM 0 H GLN B 126 -6.774 -1.776 -8.172 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.934 1.022 -8.439 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.476 -0.705 -6.472 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.008 0.776 -7.244 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.887 -0.434 -9.468 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.557 -1.911 -8.585 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.949 0.548 -9.359 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.354 -0.339 -8.760 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.084 -0.041 -5.421 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.486 0.394 -4.160 1.00 0.08 C ATOM 1355 C VAL B 127 -4.083 0.961 -4.370 1.00 0.08 C ATOM 1356 O VAL B 127 -3.770 2.040 -3.872 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.431 -0.751 -3.121 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.831 -1.250 -2.795 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.555 -1.894 -3.610 1.00 0.10 C ATOM 0 H VAL B 127 -6.287 -1.039 -5.471 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.131 1.182 -3.771 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.986 -0.353 -2.209 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.769 -2.055 -2.063 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.423 -0.431 -2.385 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.305 -1.622 -3.703 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.535 -2.684 -2.859 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -4.959 -2.289 -4.542 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.542 -1.529 -3.780 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.246 0.242 -5.116 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.878 0.688 -5.375 1.00 0.10 C ATOM 1371 C ALA B 128 -1.864 2.058 -6.044 1.00 0.10 C ATOM 1372 O ALA B 128 -0.842 2.743 -6.059 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.139 -0.331 -6.231 1.00 0.10 C ATOM 0 H ALA B 128 -3.490 -0.648 -5.550 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.365 0.776 -4.417 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.122 0.017 -6.414 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.107 -1.288 -5.711 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.658 -0.452 -7.182 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.009 2.450 -6.593 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.134 3.741 -7.259 1.00 0.09 C ATOM 1381 C ALA B 129 -3.444 4.839 -6.250 1.00 0.09 C ATOM 1382 O ALA B 129 -3.062 5.995 -6.434 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.212 3.679 -8.329 1.00 0.10 C ATOM 0 H ALA B 129 -3.863 1.892 -6.590 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.183 3.977 -7.737 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.295 4.649 -8.818 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.949 2.922 -9.067 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.166 3.422 -7.870 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.141 4.463 -5.181 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.502 5.403 -4.128 1.00 0.08 C ATOM 1391 C PHE B 130 -3.359 5.545 -3.123 1.00 0.09 C ATOM 1392 O PHE B 130 -3.244 6.563 -2.440 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.777 4.939 -3.421 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.031 5.150 -4.225 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.543 6.425 -4.405 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.698 4.078 -4.799 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.695 6.627 -5.139 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.850 4.276 -5.535 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.345 5.528 -5.718 1.00 0.16 C ATOM 0 H PHE B 130 -4.467 3.510 -5.023 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.687 6.378 -4.580 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.684 3.879 -3.183 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.870 5.471 -2.474 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.035 7.271 -3.966 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.312 3.078 -4.669 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.092 7.623 -5.266 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.361 3.429 -5.968 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.237 5.676 -6.308 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.518 4.516 -3.038 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.376 4.531 -2.130 1.00 0.09 C ATOM 1411 C ILE B 131 -0.271 5.405 -2.703 1.00 0.10 C ATOM 1412 O ILE B 131 0.362 6.181 -1.987 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.810 3.116 -1.894 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.918 2.157 -1.445 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.313 3.162 -0.865 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.439 2.430 -0.053 1.00 0.13 C ATOM 0 H ILE B 131 -2.607 3.662 -3.588 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.726 4.929 -1.177 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.403 2.745 -2.834 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.746 2.219 -2.151 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.540 1.136 -1.487 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.704 2.157 -0.708 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.112 3.809 -1.227 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.072 3.553 0.077 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.220 1.710 0.191 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.624 2.339 0.665 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.849 3.439 -0.009 1.00 0.13 H new ATOM 1428 N SER B 132 -0.048 5.264 -4.005 1.00 0.11 N ATOM 1429 CA SER B 132 0.972 6.040 -4.700 1.00 0.13 C ATOM 1430 C SER B 132 0.706 7.531 -4.548 1.00 0.15 C ATOM 1431 O SER B 132 1.557 8.279 -4.066 1.00 0.21 O ATOM 1432 CB SER B 132 1.000 5.666 -6.182 1.00 0.17 C ATOM 1433 OG SER B 132 2.014 6.381 -6.870 1.00 0.63 O ATOM 0 H SER B 132 -0.562 4.617 -4.602 1.00 0.11 H new ATOM 0 HA SER B 132 1.940 5.811 -4.256 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.171 4.595 -6.287 1.00 0.17 H new ATOM 0 HB3 SER B 132 0.031 5.879 -6.633 1.00 0.17 H new ATOM 0 HG SER B 132 2.642 6.763 -6.222 1.00 0.63 H new ATOM 1439 N SER B 133 -0.483 7.956 -4.965 1.00 0.15 N ATOM 1440 CA SER B 133 -0.873 9.358 -4.874 1.00 0.19 C ATOM 1441 C SER B 133 -0.727 9.866 -3.444 1.00 0.18 C ATOM 1442 O SER B 133 -0.421 11.036 -3.216 1.00 0.26 O ATOM 1443 CB SER B 133 -2.322 9.533 -5.334 1.00 0.23 C ATOM 1444 OG SER B 133 -2.616 10.894 -5.597 1.00 0.74 O ATOM 0 H SER B 133 -1.194 7.347 -5.370 1.00 0.15 H new ATOM 0 HA SER B 133 -0.215 9.937 -5.522 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.495 8.941 -6.233 1.00 0.23 H new ATOM 0 HB3 SER B 133 -2.998 9.154 -4.567 1.00 0.23 H new ATOM 0 HG SER B 133 -3.298 10.952 -6.298 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.947 8.971 -2.487 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.856 9.313 -1.073 1.00 0.13 C ATOM 1452 C LEU B 134 0.565 9.705 -0.686 1.00 0.15 C ATOM 1453 O LEU B 134 0.794 10.770 -0.111 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.310 8.128 -0.216 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.409 8.437 0.799 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.681 7.223 1.670 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.023 9.631 1.655 1.00 0.20 C ATOM 0 H LEU B 134 -1.191 7.997 -2.667 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.508 10.168 -0.895 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.662 7.337 -0.878 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.445 7.735 0.319 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.321 8.685 0.256 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.466 7.459 2.388 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.000 6.390 1.044 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.772 6.947 2.204 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.818 9.837 2.372 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.099 9.412 2.190 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.875 10.503 1.018 1.00 0.20 H new ATOM 1469 N LEU B 135 1.514 8.834 -1.004 1.00 0.17 N ATOM 1470 CA LEU B 135 2.916 9.069 -0.684 1.00 0.22 C ATOM 1471 C LEU B 135 3.502 10.177 -1.553 1.00 0.24 C ATOM 1472 O LEU B 135 4.477 10.827 -1.172 1.00 0.31 O ATOM 1473 CB LEU B 135 3.712 7.772 -0.864 1.00 0.26 C ATOM 1474 CG LEU B 135 3.569 6.729 0.261 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.237 6.862 0.990 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.706 5.327 -0.306 1.00 0.65 C ATOM 0 H LEU B 135 1.336 7.953 -1.486 1.00 0.17 H new ATOM 0 HA LEU B 135 2.983 9.391 0.355 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.406 7.309 -1.802 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.767 8.028 -0.963 1.00 0.26 H new ATOM 0 HG LEU B 135 4.366 6.912 0.982 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.175 6.109 1.775 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.162 7.855 1.433 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.420 6.717 0.284 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.603 4.598 0.498 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.928 5.158 -1.051 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.685 5.217 -0.773 1.00 0.65 H new ATOM 1488 N ASP B 136 2.901 10.389 -2.719 1.00 0.22 N ATOM 1489 CA ASP B 136 3.364 11.421 -3.640 1.00 0.26 C ATOM 1490 C ASP B 136 2.731 12.770 -3.310 1.00 0.25 C ATOM 1491 O ASP B 136 3.229 13.818 -3.723 1.00 0.29 O ATOM 1492 CB ASP B 136 3.033 11.034 -5.083 1.00 0.29 C ATOM 1493 CG ASP B 136 3.683 11.959 -6.094 1.00 0.37 C ATOM 1494 OD1 ASP B 136 3.063 12.986 -6.443 1.00 0.40 O ATOM 1495 OD2 ASP B 136 4.810 11.657 -6.540 1.00 0.47 O ATOM 0 H ASP B 136 2.093 9.861 -3.049 1.00 0.22 H new ATOM 0 HA ASP B 136 4.445 11.508 -3.531 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.362 10.011 -5.266 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.952 11.051 -5.222 1.00 0.29 H new ATOM 1500 N ASP B 137 1.631 12.735 -2.562 1.00 0.24 N ATOM 1501 CA ASP B 137 0.924 13.953 -2.179 1.00 0.27 C ATOM 1502 C ASP B 137 0.201 13.770 -0.846 1.00 0.22 C ATOM 1503 O ASP B 137 -1.028 13.696 -0.803 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.079 14.347 -3.264 1.00 0.38 C ATOM 1505 CG ASP B 137 0.597 14.830 -4.533 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.890 16.041 -4.625 1.00 1.42 O ATOM 1507 OD2 ASP B 137 0.835 13.998 -5.434 1.00 2.13 O ATOM 0 H ASP B 137 1.210 11.876 -2.209 1.00 0.24 H new ATOM 0 HA ASP B 137 1.660 14.749 -2.066 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.712 13.491 -3.497 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.732 15.132 -2.883 1.00 0.38 H new ATOM 1512 N PRO B 138 0.959 13.693 0.264 1.00 0.19 N ATOM 1513 CA PRO B 138 0.388 13.520 1.607 1.00 0.21 C ATOM 1514 C PRO B 138 -0.605 14.618 1.985 1.00 0.22 C ATOM 1515 O PRO B 138 -1.256 14.535 3.028 1.00 0.31 O ATOM 1516 CB PRO B 138 1.611 13.575 2.527 1.00 0.24 C ATOM 1517 CG PRO B 138 2.758 13.199 1.657 1.00 0.25 C ATOM 1518 CD PRO B 138 2.432 13.746 0.298 1.00 0.23 C ATOM 0 HA PRO B 138 -0.182 12.594 1.677 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.744 14.571 2.949 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.507 12.885 3.365 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.690 13.619 2.035 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.886 12.117 1.623 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.802 14.764 0.173 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.876 13.145 -0.496 1.00 0.23 H new ATOM 1526 N SER B 139 -0.724 15.644 1.146 1.00 0.20 N ATOM 1527 CA SER B 139 -1.648 16.734 1.418 1.00 0.22 C ATOM 1528 C SER B 139 -3.059 16.329 1.017 1.00 0.19 C ATOM 1529 O SER B 139 -4.037 16.725 1.652 1.00 0.19 O ATOM 1530 CB SER B 139 -1.223 18.000 0.670 1.00 0.28 C ATOM 1531 OG SER B 139 -2.149 19.053 0.882 1.00 1.15 O ATOM 0 H SER B 139 -0.195 15.741 0.279 1.00 0.20 H new ATOM 0 HA SER B 139 -1.632 16.948 2.487 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.233 18.309 1.005 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.147 17.788 -0.396 1.00 0.28 H new ATOM 0 HG SER B 139 -1.854 19.851 0.395 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.152 15.531 -0.043 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.436 15.055 -0.532 1.00 0.17 C ATOM 1539 C GLN B 140 -4.801 13.730 0.119 1.00 0.15 C ATOM 1540 O GLN B 140 -5.705 13.039 -0.335 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.405 14.889 -2.049 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.174 16.192 -2.780 1.00 0.26 C ATOM 1543 CD GLN B 140 -2.727 16.398 -3.157 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -1.961 16.958 -2.232 1.00 1.74 O flip ATOM 1545 NE2 GLN B 140 -2.302 16.054 -4.260 1.00 1.37 N flip ATOM 0 H GLN B 140 -2.349 15.201 -0.579 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.190 15.797 -0.271 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.618 14.184 -2.316 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.348 14.454 -2.381 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -4.787 16.212 -3.681 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.503 17.020 -2.152 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -2.932 15.627 -4.939 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -1.320 16.196 -4.495 1.00 1.37 H new ATOM 1554 N SER B 141 -4.086 13.389 1.183 1.00 0.15 N ATOM 1555 CA SER B 141 -4.306 12.139 1.905 1.00 0.13 C ATOM 1556 C SER B 141 -5.786 11.877 2.168 1.00 0.13 C ATOM 1557 O SER B 141 -6.331 10.868 1.721 1.00 0.18 O ATOM 1558 CB SER B 141 -3.543 12.162 3.231 1.00 0.15 C ATOM 1559 OG SER B 141 -3.757 10.969 3.964 1.00 1.01 O ATOM 0 H SER B 141 -3.340 13.967 1.570 1.00 0.15 H new ATOM 0 HA SER B 141 -3.935 11.330 1.275 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.478 12.288 3.039 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.863 13.019 3.824 1.00 0.15 H new ATOM 0 HG SER B 141 -3.257 11.008 4.806 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.431 12.782 2.893 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.844 12.629 3.224 1.00 0.17 C ATOM 1567 C ALA B 142 -8.719 12.573 1.977 1.00 0.17 C ATOM 1568 O ALA B 142 -9.779 11.949 1.988 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.296 13.759 4.135 1.00 0.20 C ATOM 0 H ALA B 142 -6.000 13.629 3.263 1.00 0.16 H new ATOM 0 HA ALA B 142 -7.958 11.679 3.746 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.352 13.633 4.374 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.711 13.741 5.054 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.150 14.714 3.630 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.278 13.221 0.904 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.046 13.238 -0.334 1.00 0.18 C ATOM 1577 C ASN B 143 -8.813 11.962 -1.127 1.00 0.16 C ATOM 1578 O ASN B 143 -9.683 11.501 -1.862 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.669 14.448 -1.181 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.779 15.751 -0.412 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.686 16.158 0.223 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -9.833 16.385 -0.390 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.399 13.738 0.867 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.103 13.303 -0.075 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.648 14.329 -1.545 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.317 14.491 -2.057 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.649 16.035 -0.892 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -9.891 17.260 0.131 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.627 11.399 -0.961 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.242 10.183 -1.652 1.00 0.12 C ATOM 1591 C LEU B 144 -7.883 8.975 -0.992 1.00 0.11 C ATOM 1592 O LEU B 144 -8.283 8.024 -1.664 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.722 10.065 -1.654 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.011 11.095 -2.535 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.524 11.103 -2.242 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.268 10.804 -4.004 1.00 0.14 C ATOM 0 H LEU B 144 -6.906 11.773 -0.344 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.593 10.222 -2.683 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.360 10.168 -0.631 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.447 9.065 -1.990 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.411 12.083 -2.307 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.032 11.840 -2.876 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.361 11.358 -1.195 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.108 10.116 -2.444 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.755 11.545 -4.617 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.894 9.810 -4.249 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.339 10.848 -4.202 1.00 0.14 H new ATOM 1608 N LEU B 145 -7.977 9.021 0.329 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.607 7.950 1.077 1.00 0.11 C ATOM 1610 C LEU B 145 -10.109 8.063 0.899 1.00 0.12 C ATOM 1611 O LEU B 145 -10.834 7.069 0.923 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.231 8.024 2.559 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.152 7.253 3.509 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.185 5.778 3.142 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.707 7.437 4.951 1.00 0.16 C ATOM 0 H LEU B 145 -7.625 9.788 0.901 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.260 6.987 0.702 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.216 7.646 2.678 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.219 9.071 2.862 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.161 7.653 3.409 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.845 5.247 3.828 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.555 5.665 2.123 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.179 5.363 3.211 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.373 6.882 5.611 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.689 7.066 5.068 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.739 8.495 5.210 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.565 9.297 0.713 1.00 0.16 N ATOM 1628 CA ALA B 146 -11.977 9.561 0.498 1.00 0.17 C ATOM 1629 C ALA B 146 -12.411 8.965 -0.832 1.00 0.16 C ATOM 1630 O ALA B 146 -13.413 8.256 -0.911 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.255 11.056 0.532 1.00 0.20 C ATOM 0 H ALA B 146 -9.974 10.129 0.707 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.551 9.095 1.299 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.318 11.232 0.369 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -11.965 11.458 1.503 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.681 11.551 -0.251 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.634 9.252 -1.875 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.916 8.737 -3.208 1.00 0.19 C ATOM 1639 C GLU B 147 -11.939 7.223 -3.174 1.00 0.16 C ATOM 1640 O GLU B 147 -12.852 6.586 -3.698 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.845 9.206 -4.192 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.847 10.704 -4.428 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.821 11.124 -5.511 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.036 11.186 -5.227 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.369 11.393 -6.644 1.00 0.57 O ATOM 0 H GLU B 147 -10.803 9.840 -1.819 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.887 9.112 -3.532 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.865 8.907 -3.819 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -10.992 8.697 -5.145 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.101 11.214 -3.499 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.843 11.026 -4.704 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.911 6.660 -2.553 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.790 5.221 -2.413 1.00 0.12 C ATOM 1654 C ALA B 148 -12.074 4.633 -1.845 1.00 0.14 C ATOM 1655 O ALA B 148 -12.591 3.635 -2.345 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.614 4.890 -1.513 1.00 0.11 C ATOM 0 H ALA B 148 -10.144 7.187 -2.136 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.618 4.783 -3.396 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.527 3.808 -1.411 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.698 5.288 -1.950 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.771 5.336 -0.531 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.579 5.266 -0.790 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.810 4.827 -0.147 1.00 0.17 C ATOM 1664 C LYS B 149 -14.989 4.921 -1.112 1.00 0.17 C ATOM 1665 O LYS B 149 -15.888 4.082 -1.090 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.082 5.671 1.101 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.176 5.335 2.272 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.498 6.194 3.485 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.513 5.947 4.614 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.799 6.798 5.802 1.00 1.01 N ATOM 0 H LYS B 149 -12.152 6.087 -0.362 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.690 3.784 0.148 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.961 6.725 0.850 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.120 5.532 1.404 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.287 4.282 2.530 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.135 5.484 1.984 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.475 7.247 3.204 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.510 5.977 3.828 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.550 4.897 4.903 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.501 6.145 4.262 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.103 6.597 6.548 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.739 7.801 5.533 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.755 6.591 6.155 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.978 5.946 -1.961 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.044 6.140 -2.934 1.00 0.20 C ATOM 1686 C LYS B 150 -16.026 5.025 -3.968 1.00 0.21 C ATOM 1687 O LYS B 150 -17.072 4.579 -4.435 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.896 7.492 -3.633 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.936 8.678 -2.686 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.018 9.996 -3.440 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.366 10.168 -4.122 1.00 1.28 C ATOM 1692 NZ LYS B 150 -17.419 11.406 -4.947 1.00 1.99 N ATOM 0 H LYS B 150 -14.243 6.653 -1.993 1.00 0.17 H new ATOM 0 HA LYS B 150 -16.996 6.120 -2.403 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -14.953 7.507 -4.180 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.693 7.599 -4.369 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.795 8.585 -2.022 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.045 8.673 -2.058 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -15.851 10.822 -2.749 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.224 10.039 -4.186 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.566 9.302 -4.754 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.152 10.201 -3.368 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -18.355 11.485 -5.394 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -17.254 12.235 -4.341 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -16.686 11.364 -5.683 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.825 4.583 -4.320 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.658 3.519 -5.299 1.00 0.16 C ATOM 1708 C LEU B 151 -15.086 2.179 -4.713 1.00 0.15 C ATOM 1709 O LEU B 151 -15.839 1.427 -5.332 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.201 3.447 -5.763 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.923 2.438 -6.879 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.880 2.647 -8.041 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.481 2.547 -7.347 1.00 0.18 C ATOM 0 H LEU B 151 -13.951 4.947 -3.940 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.291 3.741 -6.158 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.896 4.436 -6.105 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.575 3.199 -4.906 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.082 1.435 -6.483 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.666 1.920 -8.824 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.906 2.517 -7.696 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.756 3.655 -8.438 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.300 1.822 -8.141 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.296 3.553 -7.725 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.811 2.344 -6.511 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.588 1.885 -3.521 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.918 0.642 -2.834 1.00 0.14 C ATOM 1727 C ASN B 152 -16.427 0.497 -2.676 1.00 0.17 C ATOM 1728 O ASN B 152 -16.993 -0.549 -2.994 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.232 0.594 -1.466 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.398 -0.749 -0.785 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.738 -1.722 -1.144 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.270 -0.804 0.215 1.00 0.69 N ATOM 0 H ASN B 152 -13.951 2.493 -3.006 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.556 -0.191 -3.437 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.170 0.808 -1.587 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.644 1.376 -0.828 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.413 -1.679 0.719 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.796 0.029 0.479 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.074 1.552 -2.192 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.520 1.537 -2.006 1.00 0.23 C ATOM 1741 C ASP B 153 -19.239 1.553 -3.351 1.00 0.25 C ATOM 1742 O ASP B 153 -20.401 1.156 -3.449 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.964 2.730 -1.158 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.544 2.596 0.293 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -19.188 1.818 1.027 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -17.572 3.268 0.696 1.00 2.25 O ATOM 0 H ASP B 153 -16.622 2.425 -1.922 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.784 0.618 -1.484 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.541 3.645 -1.573 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -20.048 2.827 -1.212 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.540 2.010 -4.386 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.110 2.072 -5.727 1.00 0.28 C ATOM 1753 C ALA B 154 -19.390 0.672 -6.260 1.00 0.30 C ATOM 1754 O ALA B 154 -20.501 0.373 -6.698 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.174 2.818 -6.668 1.00 0.28 C ATOM 0 H ALA B 154 -17.578 2.343 -4.321 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.054 2.613 -5.671 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.614 2.855 -7.665 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.021 3.833 -6.300 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.216 2.301 -6.714 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.372 -0.182 -6.219 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.502 -1.554 -6.691 1.00 0.35 C ATOM 1763 C GLN B 155 -19.190 -2.417 -5.638 1.00 0.36 C ATOM 1764 O GLN B 155 -19.763 -3.460 -5.951 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.125 -2.130 -7.026 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.324 -1.262 -7.981 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.931 -1.803 -8.237 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.717 -2.583 -9.165 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -13.977 -1.391 -7.412 1.00 0.39 N ATOM 0 H GLN B 155 -17.446 0.054 -5.862 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.113 -1.553 -7.594 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.559 -2.260 -6.103 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.250 -3.120 -7.465 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.858 -1.183 -8.928 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.248 -0.254 -7.573 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.201 -0.744 -6.656 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.020 -1.722 -7.534 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.121 -1.969 -4.387 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.738 -2.685 -3.276 1.00 0.34 C ATOM 1780 C ALA B 156 -21.228 -2.921 -3.529 1.00 0.47 C ATOM 1781 O ALA B 156 -21.837 -2.231 -4.347 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.533 -1.908 -1.985 1.00 0.36 C ATOM 0 H ALA B 156 -18.642 -1.110 -4.118 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.259 -3.660 -3.186 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.996 -2.447 -1.158 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.466 -1.796 -1.793 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.990 -0.923 -2.077 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.834 -3.902 -2.831 1.00 0.53 N ATOM 1789 CA PRO B 157 -23.258 -4.223 -2.990 1.00 0.68 C ATOM 1790 C PRO B 157 -24.148 -2.985 -2.925 1.00 0.79 C ATOM 1791 O PRO B 157 -24.799 -2.626 -3.906 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.543 -5.148 -1.806 1.00 0.81 C ATOM 1793 CG PRO B 157 -22.236 -5.801 -1.516 1.00 0.70 C ATOM 1794 CD PRO B 157 -21.180 -4.777 -1.835 1.00 0.48 C ATOM 0 HA PRO B 157 -23.468 -4.669 -3.962 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.906 -4.588 -0.944 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -24.308 -5.884 -2.053 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -22.177 -6.110 -0.472 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -22.105 -6.698 -2.122 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.881 -4.220 -0.947 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -20.280 -5.241 -2.239 1.00 0.48 H new ATOM 1802 N LYS B 158 -24.170 -2.340 -1.764 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.979 -1.143 -1.567 1.00 1.17 C ATOM 1804 C LYS B 158 -24.523 -0.016 -2.489 1.00 1.23 C ATOM 1805 O LYS B 158 -23.581 0.712 -2.112 1.00 1.76 O ATOM 1806 CB LYS B 158 -24.903 -0.686 -0.109 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.465 -1.693 0.875 1.00 1.69 C ATOM 1808 CD LYS B 158 -25.254 -1.247 2.313 1.00 2.47 C ATOM 1809 CE LYS B 158 -25.840 -2.244 3.299 1.00 3.07 C ATOM 1810 NZ LYS B 158 -25.594 -1.842 4.711 1.00 3.60 N ATOM 1811 OXT LYS B 158 -25.114 0.130 -3.579 1.00 1.64 O ATOM 0 H LYS B 158 -23.636 -2.627 -0.944 1.00 0.96 H new ATOM 0 HA LYS B 158 -26.012 -1.390 -1.811 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -23.863 -0.484 0.146 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.445 0.254 -0.003 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -26.530 -1.830 0.688 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -24.987 -2.660 0.720 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -24.188 -1.128 2.505 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -25.716 -0.271 2.463 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -26.913 -2.334 3.129 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -25.406 -3.228 3.121 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -26.010 -2.549 5.351 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -24.570 -1.781 4.881 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -26.030 -0.915 4.889 1.00 3.60 H new TER 1825 LYS B 158