USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 917 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 23 ASN : amide:sc= -3.8! C(o=-6.7!,f=-17!) USER MOD Set 1.2: B 26 GLN : amide:sc= -1.07 K(o=-6.7,f=-8.6!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.82 K(o=-6.7,f=-8.6) USER MOD Set 2.1: A 28 ASN : amide:sc= -5.04! C(o=-5!,f=-12!) USER MOD Set 2.2: B 7 LYS NZ :NH3+ 151:sc= 0.0261 (180deg=0) USER MOD Set 2.3: B 10 SER OG : rot 58:sc= -0.025 USER MOD Set 3.1: A 40 GLN : amide:sc= 0 K(o=0,f=-2.7) USER MOD Set 3.2: A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.192 K(o=-0.094,f=-5.7!) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.26 K(o=-0.094,f=-9.1!) USER MOD Set 4.3: A 55 GLN : amide:sc= -0.162 X(o=-0.094,f=-0.22) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -0.491 USER MOD Set 5.2: A 18 HIS : no HD1:sc= -21.7! C(o=-22!,f=-25!) USER MOD Set 6.1: A 1 VAL N :NH3+ -104:sc= 0.551 (180deg=-0.183) USER MOD Set 6.2: A 39 SER OG : rot -48:sc= 1.05 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= 0.562 (180deg=0.0672) USER MOD Single : A 6 ASN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0849 (180deg=-0.0958) USER MOD Single : A 9 GLN : amide:sc= -2.51! C(o=-2.5!,f=-1.5!) USER MOD Single : A 10 GLN : amide:sc= -2.81 K(o=-2.8,f=-11!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 21 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.2!) USER MOD Single : A 32 GLN : amide:sc= -0.711 K(o=-0.71,f=-2.2!) USER MOD Single : A 33 SER OG : rot 7:sc= 0.339 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.519 (180deg=0.271) USER MOD Single : A 41 SER OG : rot -97:sc= 0.693 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= -0.325 K(o=-0.33,f=-9.4!) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 1.77 (180deg=1.56) USER MOD Single : B 1 VAL N :NH3+ -115:sc= 0.0209 (180deg=-0.138) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 174:sc= 0.158 (180deg=0.143) USER MOD Single : B 6 ASN : amide:sc= -3.69! C(o=-3.7!,f=-9.2!) USER MOD Single : B 18 THR OG1 : rot -86:sc= 1.24 USER MOD Single : B 21 ASN : amide:sc= -2.78! C(o=-2.8!,f=-4!) USER MOD Single : B 27 LYS NZ :NH3+ 168:sc= 0.427 (180deg=0.335) USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= 0.0782 (180deg=-0.104) USER MOD Single : B 33 SER OG : rot -15:sc= -1.77! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -130:sc= -0.872 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -165:sc= 0.43 (180deg=0.246) USER MOD Single : B 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0319) USER MOD Single : B 52 ASN : amide:sc= -4.3! C(o=-4.3!,f=-12!) USER MOD Single : B 58 LYS NZ :NH3+ -170:sc= -0.288 (180deg=-0.348) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.843 -18.702 1.371 1.00 0.00 N ATOM 2 CA VAL A 1 6.443 -18.322 1.756 1.00 0.00 C ATOM 3 C VAL A 1 6.086 -18.887 3.148 1.00 0.00 C ATOM 4 O VAL A 1 6.570 -19.937 3.546 1.00 0.00 O ATOM 5 CB VAL A 1 5.523 -18.897 0.649 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.427 -20.429 0.737 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.118 -18.295 0.788 1.00 0.00 C ATOM 0 H1 VAL A 1 8.469 -17.879 1.483 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.174 -19.475 1.983 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.857 -19.015 0.379 1.00 0.00 H new ATOM 0 HA VAL A 1 6.325 -17.241 1.832 1.00 0.00 H new ATOM 0 HB VAL A 1 5.954 -18.636 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.774 -20.799 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.420 -20.863 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.019 -20.713 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.470 -18.699 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.710 -18.547 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.175 -17.211 0.686 1.00 0.00 H new ATOM 19 N ASP A 2 5.247 -18.188 3.887 1.00 0.00 N ATOM 20 CA ASP A 2 4.843 -18.652 5.256 1.00 0.00 C ATOM 21 C ASP A 2 3.500 -18.017 5.666 1.00 0.00 C ATOM 22 O ASP A 2 3.090 -17.006 5.113 1.00 0.00 O ATOM 23 CB ASP A 2 5.968 -18.171 6.190 1.00 0.00 C ATOM 24 CG ASP A 2 5.927 -18.955 7.507 1.00 0.00 C ATOM 25 OD1 ASP A 2 5.239 -18.519 8.417 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.587 -19.976 7.584 1.00 0.00 O ATOM 0 H ASP A 2 4.823 -17.308 3.594 1.00 0.00 H new ATOM 0 HA ASP A 2 4.709 -19.733 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.936 -18.306 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.857 -17.105 6.388 1.00 0.00 H new ATOM 31 N ASN A 3 2.831 -18.599 6.646 1.00 0.00 N ATOM 32 CA ASN A 3 1.517 -18.033 7.128 1.00 0.00 C ATOM 33 C ASN A 3 1.704 -16.587 7.627 1.00 0.00 C ATOM 34 O ASN A 3 0.863 -15.737 7.388 1.00 0.00 O ATOM 35 CB ASN A 3 1.069 -18.942 8.285 1.00 0.00 C ATOM 36 CG ASN A 3 0.683 -20.328 7.746 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.343 -20.481 7.112 1.00 0.00 O ATOM 38 ND2 ASN A 3 1.468 -21.349 7.967 1.00 0.00 N ATOM 0 H ASN A 3 3.138 -19.441 7.132 1.00 0.00 H new ATOM 0 HA ASN A 3 0.777 -18.004 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.873 -19.038 9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.220 -18.495 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.219 -22.271 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.330 -21.224 8.499 1.00 0.00 H new ATOM 45 N LYS A 4 2.809 -16.301 8.305 1.00 0.00 N ATOM 46 CA LYS A 4 3.069 -14.905 8.805 1.00 0.00 C ATOM 47 C LYS A 4 3.285 -13.930 7.630 1.00 0.00 C ATOM 48 O LYS A 4 2.860 -12.791 7.693 1.00 0.00 O ATOM 49 CB LYS A 4 4.326 -14.989 9.706 1.00 0.00 C ATOM 50 CG LYS A 4 5.586 -15.344 8.895 1.00 0.00 C ATOM 51 CD LYS A 4 6.656 -15.924 9.832 1.00 0.00 C ATOM 52 CE LYS A 4 7.973 -15.149 9.682 1.00 0.00 C ATOM 53 NZ LYS A 4 8.957 -16.131 9.130 1.00 0.00 N ATOM 0 H LYS A 4 3.538 -16.978 8.530 1.00 0.00 H new ATOM 0 HA LYS A 4 2.216 -14.523 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.476 -14.035 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.169 -15.739 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.339 -16.067 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.970 -14.456 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.311 -15.872 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.818 -16.977 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.852 -14.297 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.308 -14.756 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.911 -15.897 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.703 -17.090 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.943 -16.090 8.091 1.00 0.00 H new ATOM 67 N PHE A 5 3.935 -14.375 6.562 1.00 0.00 N ATOM 68 CA PHE A 5 4.187 -13.485 5.377 1.00 0.00 C ATOM 69 C PHE A 5 2.874 -12.994 4.743 1.00 0.00 C ATOM 70 O PHE A 5 2.863 -11.951 4.113 1.00 0.00 O ATOM 71 CB PHE A 5 4.999 -14.316 4.361 1.00 0.00 C ATOM 72 CG PHE A 5 6.382 -14.673 4.902 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.941 -13.988 5.999 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.105 -15.705 4.295 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.204 -14.342 6.475 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.370 -16.059 4.777 1.00 0.00 C ATOM 77 CZ PHE A 5 8.918 -15.375 5.865 1.00 0.00 C ATOM 0 H PHE A 5 4.301 -15.323 6.467 1.00 0.00 H new ATOM 0 HA PHE A 5 4.731 -12.593 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.455 -15.229 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.105 -13.754 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.391 -13.188 6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.685 -16.231 3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.630 -13.816 7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.922 -16.860 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.896 -15.646 6.235 1.00 0.00 H new ATOM 87 N ASN A 6 1.771 -13.722 4.906 1.00 0.00 N ATOM 88 CA ASN A 6 0.459 -13.277 4.311 1.00 0.00 C ATOM 89 C ASN A 6 0.149 -11.825 4.730 1.00 0.00 C ATOM 90 O ASN A 6 -0.142 -10.995 3.884 1.00 0.00 O ATOM 91 CB ASN A 6 -0.600 -14.244 4.868 1.00 0.00 C ATOM 92 CG ASN A 6 -1.798 -14.302 3.911 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.038 -15.317 3.288 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.557 -13.251 3.757 1.00 0.00 N ATOM 0 H ASN A 6 1.731 -14.600 5.424 1.00 0.00 H new ATOM 0 HA ASN A 6 0.479 -13.296 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.171 -15.238 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.925 -13.914 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.349 -13.284 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.358 -12.397 4.279 1.00 0.00 H new ATOM 101 N LYS A 7 0.252 -11.502 6.013 1.00 0.00 N ATOM 102 CA LYS A 7 0.003 -10.086 6.442 1.00 0.00 C ATOM 103 C LYS A 7 1.316 -9.280 6.496 1.00 0.00 C ATOM 104 O LYS A 7 1.263 -8.070 6.531 1.00 0.00 O ATOM 105 CB LYS A 7 -0.682 -10.124 7.812 1.00 0.00 C ATOM 106 CG LYS A 7 -1.035 -8.695 8.253 1.00 0.00 C ATOM 107 CD LYS A 7 -0.051 -8.167 9.304 1.00 0.00 C ATOM 108 CE LYS A 7 -0.055 -9.061 10.558 1.00 0.00 C ATOM 109 NZ LYS A 7 1.333 -9.613 10.662 1.00 0.00 N ATOM 0 H LYS A 7 0.494 -12.150 6.762 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.639 -9.584 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.585 -10.733 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.024 -10.590 8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.030 -8.035 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.046 -8.679 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.953 -8.130 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.319 -7.147 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.317 -8.488 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.789 -9.861 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.523 -9.892 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.424 -10.444 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.018 -8.887 10.370 1.00 0.00 H new ATOM 123 N GLU A 8 2.492 -9.905 6.449 1.00 0.00 N ATOM 124 CA GLU A 8 3.752 -9.082 6.434 1.00 0.00 C ATOM 125 C GLU A 8 3.782 -8.338 5.109 1.00 0.00 C ATOM 126 O GLU A 8 4.084 -7.169 5.070 1.00 0.00 O ATOM 127 CB GLU A 8 4.947 -10.029 6.533 1.00 0.00 C ATOM 128 CG GLU A 8 5.080 -10.584 7.955 1.00 0.00 C ATOM 129 CD GLU A 8 5.221 -9.439 8.973 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.175 -8.682 8.867 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.362 -9.335 9.834 1.00 0.00 O ATOM 0 H GLU A 8 2.623 -10.916 6.421 1.00 0.00 H new ATOM 0 HA GLU A 8 3.789 -8.377 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.827 -10.850 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.860 -9.501 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.206 -11.188 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.948 -11.240 8.015 1.00 0.00 H new ATOM 138 N GLN A 9 3.384 -9.005 4.038 1.00 0.00 N ATOM 139 CA GLN A 9 3.280 -8.331 2.716 1.00 0.00 C ATOM 140 C GLN A 9 2.199 -7.241 2.834 1.00 0.00 C ATOM 141 O GLN A 9 2.343 -6.168 2.317 1.00 0.00 O ATOM 142 CB GLN A 9 2.821 -9.395 1.716 1.00 0.00 C ATOM 143 CG GLN A 9 3.870 -10.486 1.511 1.00 0.00 C ATOM 144 CD GLN A 9 3.270 -11.563 0.602 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.418 -11.510 -0.602 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.585 -12.543 1.128 1.00 0.00 N ATOM 0 H GLN A 9 3.128 -9.992 4.036 1.00 0.00 H new ATOM 0 HA GLN A 9 4.223 -7.885 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.894 -9.847 2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.601 -8.921 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.770 -10.068 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.162 -10.917 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.458 -12.592 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.177 -13.260 0.528 1.00 0.00 H new ATOM 155 N GLN A 10 1.130 -7.534 3.565 1.00 0.00 N ATOM 156 CA GLN A 10 0.021 -6.542 3.800 1.00 0.00 C ATOM 157 C GLN A 10 0.559 -5.334 4.582 1.00 0.00 C ATOM 158 O GLN A 10 0.303 -4.202 4.222 1.00 0.00 O ATOM 159 CB GLN A 10 -1.013 -7.315 4.629 1.00 0.00 C ATOM 160 CG GLN A 10 -2.409 -7.162 4.021 1.00 0.00 C ATOM 161 CD GLN A 10 -2.858 -8.464 3.343 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.272 -8.452 2.211 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.827 -9.593 4.001 1.00 0.00 N ATOM 0 H GLN A 10 0.983 -8.438 4.014 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.406 -6.153 2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.741 -8.370 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.014 -6.947 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.121 -6.889 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.406 -6.351 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.479 -9.615 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.151 -10.452 3.556 1.00 0.00 H new ATOM 172 N ASN A 11 1.321 -5.578 5.635 1.00 0.00 N ATOM 173 CA ASN A 11 1.909 -4.460 6.442 1.00 0.00 C ATOM 174 C ASN A 11 3.025 -3.774 5.650 1.00 0.00 C ATOM 175 O ASN A 11 3.084 -2.571 5.602 1.00 0.00 O ATOM 176 CB ASN A 11 2.482 -5.107 7.709 1.00 0.00 C ATOM 177 CG ASN A 11 2.755 -4.022 8.756 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.841 -3.513 9.374 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.985 -3.638 8.980 1.00 0.00 N ATOM 0 H ASN A 11 1.558 -6.513 5.967 1.00 0.00 H new ATOM 0 HA ASN A 11 1.162 -3.704 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.780 -5.841 8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.403 -5.641 7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.175 -2.913 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.754 -4.063 8.463 1.00 0.00 H new ATOM 186 N ALA A 12 3.892 -4.543 5.020 1.00 0.00 N ATOM 187 CA ALA A 12 4.999 -3.943 4.203 1.00 0.00 C ATOM 188 C ALA A 12 4.398 -3.158 3.039 1.00 0.00 C ATOM 189 O ALA A 12 4.830 -2.065 2.752 1.00 0.00 O ATOM 190 CB ALA A 12 5.825 -5.114 3.679 1.00 0.00 C ATOM 0 H ALA A 12 3.878 -5.563 5.039 1.00 0.00 H new ATOM 0 HA ALA A 12 5.615 -3.261 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.649 -4.736 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.223 -5.684 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.194 -5.760 3.069 1.00 0.00 H new ATOM 196 N PHE A 13 3.370 -3.699 2.407 1.00 0.00 N ATOM 197 CA PHE A 13 2.675 -2.980 1.293 1.00 0.00 C ATOM 198 C PHE A 13 2.106 -1.685 1.859 1.00 0.00 C ATOM 199 O PHE A 13 2.415 -0.606 1.395 1.00 0.00 O ATOM 200 CB PHE A 13 1.529 -3.915 0.853 1.00 0.00 C ATOM 201 CG PHE A 13 0.565 -3.176 -0.033 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.021 -2.599 -1.212 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.787 -3.101 0.311 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.133 -1.944 -2.049 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.681 -2.457 -0.532 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.222 -1.880 -1.709 1.00 0.00 C ATOM 0 H PHE A 13 2.985 -4.618 2.624 1.00 0.00 H new ATOM 0 HA PHE A 13 3.332 -2.742 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.936 -4.775 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.007 -4.299 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.067 -2.661 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.136 -3.544 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.486 -1.485 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.729 -2.405 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.917 -1.378 -2.366 1.00 0.00 H new ATOM 216 N TYR A 14 1.302 -1.821 2.892 1.00 0.00 N ATOM 217 CA TYR A 14 0.689 -0.649 3.576 1.00 0.00 C ATOM 218 C TYR A 14 1.775 0.372 3.937 1.00 0.00 C ATOM 219 O TYR A 14 1.709 1.511 3.532 1.00 0.00 O ATOM 220 CB TYR A 14 0.071 -1.270 4.828 1.00 0.00 C ATOM 221 CG TYR A 14 -0.562 -0.220 5.689 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.821 0.289 5.366 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.111 0.229 6.829 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.406 1.238 6.174 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.473 1.191 7.648 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.730 1.702 7.325 1.00 0.00 C ATOM 227 OH TYR A 14 -2.310 2.669 8.128 1.00 0.00 O ATOM 0 H TYR A 14 1.043 -2.722 3.294 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.040 -0.111 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.676 -2.010 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.839 -1.796 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.336 -0.061 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.084 -0.171 7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.383 1.628 5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.045 1.540 8.529 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.712 2.874 8.877 1.00 0.00 H new ATOM 237 N GLU A 15 2.790 -0.050 4.664 1.00 0.00 N ATOM 238 CA GLU A 15 3.902 0.878 5.043 1.00 0.00 C ATOM 239 C GLU A 15 4.574 1.450 3.785 1.00 0.00 C ATOM 240 O GLU A 15 4.805 2.633 3.729 1.00 0.00 O ATOM 241 CB GLU A 15 4.879 0.043 5.877 1.00 0.00 C ATOM 242 CG GLU A 15 4.257 -0.321 7.244 1.00 0.00 C ATOM 243 CD GLU A 15 3.938 0.950 8.047 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.855 1.717 8.307 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.782 1.137 8.384 1.00 0.00 O ATOM 0 H GLU A 15 2.892 -1.004 5.011 1.00 0.00 H new ATOM 0 HA GLU A 15 3.543 1.735 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.140 -0.867 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.803 0.600 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.346 -0.901 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.946 -0.951 7.807 1.00 0.00 H new ATOM 252 N ILE A 16 4.838 0.642 2.758 1.00 0.00 N ATOM 253 CA ILE A 16 5.444 1.195 1.477 1.00 0.00 C ATOM 254 C ILE A 16 4.571 2.358 0.972 1.00 0.00 C ATOM 255 O ILE A 16 5.065 3.424 0.647 1.00 0.00 O ATOM 256 CB ILE A 16 5.482 0.003 0.483 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.843 -0.673 0.631 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.290 0.449 -0.982 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.710 -2.179 0.441 1.00 0.00 C ATOM 0 H ILE A 16 4.662 -0.363 2.752 1.00 0.00 H new ATOM 0 HA ILE A 16 6.448 1.596 1.612 1.00 0.00 H new ATOM 0 HB ILE A 16 4.662 -0.675 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.540 -0.267 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.257 -0.459 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.325 -0.423 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.324 0.944 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.085 1.142 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.688 -2.647 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.030 -2.582 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.317 -2.387 -0.554 1.00 0.00 H new ATOM 271 N LEU A 17 3.277 2.146 0.944 1.00 0.00 N ATOM 272 CA LEU A 17 2.315 3.223 0.505 1.00 0.00 C ATOM 273 C LEU A 17 2.301 4.389 1.514 1.00 0.00 C ATOM 274 O LEU A 17 2.203 5.539 1.129 1.00 0.00 O ATOM 275 CB LEU A 17 0.935 2.554 0.490 1.00 0.00 C ATOM 276 CG LEU A 17 0.917 1.427 -0.532 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.141 0.255 0.005 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.193 1.851 -1.771 1.00 0.00 C ATOM 0 H LEU A 17 2.836 1.265 1.208 1.00 0.00 H new ATOM 0 HA LEU A 17 2.597 3.631 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.700 2.163 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.168 3.289 0.247 1.00 0.00 H new ATOM 0 HG LEU A 17 1.955 1.169 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.134 -0.546 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.609 -0.102 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.883 0.563 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.191 1.031 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.834 2.116 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.694 2.715 -2.207 1.00 0.00 H new ATOM 290 N HIS A 18 2.380 4.088 2.802 1.00 0.00 N ATOM 291 CA HIS A 18 2.352 5.165 3.852 1.00 0.00 C ATOM 292 C HIS A 18 3.714 5.893 3.990 1.00 0.00 C ATOM 293 O HIS A 18 3.752 6.992 4.515 1.00 0.00 O ATOM 294 CB HIS A 18 2.013 4.466 5.181 1.00 0.00 C ATOM 295 CG HIS A 18 0.541 4.188 5.266 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.392 5.157 5.632 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.198 3.073 4.995 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.603 4.575 5.548 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.520 3.355 5.160 1.00 0.00 N ATOM 0 H HIS A 18 2.463 3.139 3.166 1.00 0.00 H new ATOM 0 HA HIS A 18 1.619 5.923 3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.571 3.533 5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.320 5.094 6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.203 2.116 4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.532 5.075 5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.299 2.715 5.004 1.00 0.00 H new ATOM 307 N LEU A 19 4.828 5.291 3.555 1.00 0.00 N ATOM 308 CA LEU A 19 6.173 5.965 3.698 1.00 0.00 C ATOM 309 C LEU A 19 6.135 7.346 3.007 1.00 0.00 C ATOM 310 O LEU A 19 5.859 7.429 1.820 1.00 0.00 O ATOM 311 CB LEU A 19 7.213 5.048 3.013 1.00 0.00 C ATOM 312 CG LEU A 19 7.604 3.850 3.915 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.475 2.879 3.106 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.397 4.322 5.149 1.00 0.00 C ATOM 0 H LEU A 19 4.853 4.372 3.113 1.00 0.00 H new ATOM 0 HA LEU A 19 6.431 6.119 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.807 4.677 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.104 5.627 2.770 1.00 0.00 H new ATOM 0 HG LEU A 19 6.692 3.359 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.755 2.033 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.915 2.521 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.375 3.393 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.658 3.461 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.307 4.827 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.787 5.012 5.731 1.00 0.00 H new ATOM 326 N PRO A 20 6.383 8.393 3.785 1.00 0.00 N ATOM 327 CA PRO A 20 6.340 9.795 3.253 1.00 0.00 C ATOM 328 C PRO A 20 7.403 10.089 2.170 1.00 0.00 C ATOM 329 O PRO A 20 7.263 11.065 1.451 1.00 0.00 O ATOM 330 CB PRO A 20 6.575 10.655 4.497 1.00 0.00 C ATOM 331 CG PRO A 20 7.292 9.758 5.447 1.00 0.00 C ATOM 332 CD PRO A 20 6.726 8.386 5.220 1.00 0.00 C ATOM 0 HA PRO A 20 5.396 9.993 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.169 11.538 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.634 11.007 4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.366 9.773 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.140 10.078 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.451 7.608 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.850 8.204 5.842 1.00 0.00 H new ATOM 340 N ASN A 21 8.448 9.285 2.034 1.00 0.00 N ATOM 341 CA ASN A 21 9.479 9.575 0.987 1.00 0.00 C ATOM 342 C ASN A 21 9.509 8.484 -0.105 1.00 0.00 C ATOM 343 O ASN A 21 10.349 8.532 -0.989 1.00 0.00 O ATOM 344 CB ASN A 21 10.806 9.673 1.747 1.00 0.00 C ATOM 345 CG ASN A 21 10.770 10.896 2.674 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.638 12.014 2.218 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.871 10.732 3.966 1.00 0.00 N ATOM 0 H ASN A 21 8.622 8.454 2.599 1.00 0.00 H new ATOM 0 HA ASN A 21 9.262 10.498 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.973 8.766 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.635 9.759 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.839 11.541 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.982 9.795 4.354 1.00 0.00 H new ATOM 354 N LEU A 22 8.575 7.537 -0.091 1.00 0.00 N ATOM 355 CA LEU A 22 8.544 6.504 -1.174 1.00 0.00 C ATOM 356 C LEU A 22 7.745 7.073 -2.347 1.00 0.00 C ATOM 357 O LEU A 22 6.632 7.549 -2.183 1.00 0.00 O ATOM 358 CB LEU A 22 7.844 5.246 -0.606 1.00 0.00 C ATOM 359 CG LEU A 22 8.837 4.234 0.030 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.402 2.814 -0.328 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.272 4.425 -0.473 1.00 0.00 C ATOM 0 H LEU A 22 7.848 7.446 0.619 1.00 0.00 H new ATOM 0 HA LEU A 22 9.546 6.242 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.114 5.551 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.292 4.752 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 22 8.823 4.404 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.095 2.099 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.398 2.633 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.402 2.696 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.925 3.693 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.300 4.288 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.613 5.430 -0.226 1.00 0.00 H new ATOM 373 N ASN A 23 8.315 7.026 -3.522 1.00 0.00 N ATOM 374 CA ASN A 23 7.611 7.569 -4.737 1.00 0.00 C ATOM 375 C ASN A 23 7.042 6.428 -5.580 1.00 0.00 C ATOM 376 O ASN A 23 7.056 5.288 -5.172 1.00 0.00 O ATOM 377 CB ASN A 23 8.650 8.391 -5.536 1.00 0.00 C ATOM 378 CG ASN A 23 9.954 7.606 -5.741 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.015 6.717 -6.561 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.004 7.899 -5.019 1.00 0.00 N ATOM 0 H ASN A 23 9.240 6.635 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 23 6.770 8.201 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.232 8.663 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.863 9.321 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.872 7.379 -5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.955 8.647 -4.328 1.00 0.00 H new ATOM 387 N GLU A 24 6.533 6.737 -6.747 1.00 0.00 N ATOM 388 CA GLU A 24 5.946 5.671 -7.626 1.00 0.00 C ATOM 389 C GLU A 24 7.027 4.670 -8.059 1.00 0.00 C ATOM 390 O GLU A 24 6.786 3.489 -8.086 1.00 0.00 O ATOM 391 CB GLU A 24 5.362 6.396 -8.847 1.00 0.00 C ATOM 392 CG GLU A 24 4.093 7.162 -8.442 1.00 0.00 C ATOM 393 CD GLU A 24 2.953 6.837 -9.417 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.844 7.519 -10.422 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.209 5.907 -9.140 1.00 0.00 O ATOM 0 H GLU A 24 6.497 7.681 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 24 5.180 5.102 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.099 7.086 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.128 5.676 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.803 6.892 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.289 8.234 -8.443 1.00 0.00 H new ATOM 402 N GLU A 25 8.225 5.121 -8.369 1.00 0.00 N ATOM 403 CA GLU A 25 9.298 4.152 -8.776 1.00 0.00 C ATOM 404 C GLU A 25 9.625 3.205 -7.605 1.00 0.00 C ATOM 405 O GLU A 25 9.704 2.000 -7.785 1.00 0.00 O ATOM 406 CB GLU A 25 10.520 5.007 -9.157 1.00 0.00 C ATOM 407 CG GLU A 25 11.647 4.109 -9.696 1.00 0.00 C ATOM 408 CD GLU A 25 11.211 3.432 -11.004 1.00 0.00 C ATOM 409 OE1 GLU A 25 11.137 4.118 -12.012 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.964 2.238 -10.973 1.00 0.00 O ATOM 0 H GLU A 25 8.502 6.103 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 25 8.987 3.526 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.238 5.742 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.871 5.561 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.544 4.704 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.904 3.352 -8.955 1.00 0.00 H new ATOM 417 N GLN A 26 9.796 3.744 -6.411 1.00 0.00 N ATOM 418 CA GLN A 26 10.117 2.882 -5.223 1.00 0.00 C ATOM 419 C GLN A 26 8.875 2.143 -4.706 1.00 0.00 C ATOM 420 O GLN A 26 8.882 0.942 -4.625 1.00 0.00 O ATOM 421 CB GLN A 26 10.668 3.841 -4.154 1.00 0.00 C ATOM 422 CG GLN A 26 12.205 3.858 -4.208 1.00 0.00 C ATOM 423 CD GLN A 26 12.684 4.429 -5.552 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.641 5.622 -5.767 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.136 3.621 -6.473 1.00 0.00 N ATOM 0 H GLN A 26 9.727 4.742 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 26 10.837 2.107 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.279 4.846 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.334 3.528 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.598 4.460 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.592 2.848 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.174 2.617 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.451 3.994 -7.369 1.00 0.00 H new ATOM 434 N ARG A 27 7.815 2.844 -4.359 1.00 0.00 N ATOM 435 CA ARG A 27 6.581 2.158 -3.828 1.00 0.00 C ATOM 436 C ARG A 27 5.975 1.147 -4.840 1.00 0.00 C ATOM 437 O ARG A 27 5.617 0.052 -4.457 1.00 0.00 O ATOM 438 CB ARG A 27 5.559 3.281 -3.575 1.00 0.00 C ATOM 439 CG ARG A 27 4.205 2.685 -3.156 1.00 0.00 C ATOM 440 CD ARG A 27 3.106 3.737 -3.292 1.00 0.00 C ATOM 441 NE ARG A 27 2.958 3.965 -4.764 1.00 0.00 N ATOM 442 CZ ARG A 27 2.978 5.180 -5.268 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.912 6.035 -4.914 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.064 5.534 -6.136 1.00 0.00 N ATOM 0 H ARG A 27 7.749 3.860 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 27 6.833 1.589 -2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.927 3.948 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.437 3.881 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.971 1.821 -3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.257 2.332 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.172 3.389 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.377 4.658 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 27 2.840 3.165 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.629 5.758 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.920 6.975 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.343 4.869 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.073 6.474 -6.531 1.00 0.00 H new ATOM 458 N ASN A 28 5.824 1.519 -6.110 1.00 0.00 N ATOM 459 CA ASN A 28 5.188 0.574 -7.110 1.00 0.00 C ATOM 460 C ASN A 28 6.100 -0.630 -7.356 1.00 0.00 C ATOM 461 O ASN A 28 5.648 -1.759 -7.314 1.00 0.00 O ATOM 462 CB ASN A 28 4.979 1.342 -8.428 1.00 0.00 C ATOM 463 CG ASN A 28 4.168 2.638 -8.243 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.652 2.916 -7.182 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.035 3.448 -9.255 1.00 0.00 N ATOM 0 H ASN A 28 6.110 2.422 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 28 4.236 0.211 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.950 1.585 -8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.466 0.697 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.499 4.310 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.467 3.220 -10.151 1.00 0.00 H new ATOM 472 N ALA A 29 7.390 -0.397 -7.577 1.00 0.00 N ATOM 473 CA ALA A 29 8.343 -1.545 -7.785 1.00 0.00 C ATOM 474 C ALA A 29 8.370 -2.420 -6.524 1.00 0.00 C ATOM 475 O ALA A 29 8.492 -3.627 -6.600 1.00 0.00 O ATOM 476 CB ALA A 29 9.701 -0.907 -8.003 1.00 0.00 C ATOM 0 H ALA A 29 7.813 0.530 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 29 8.054 -2.176 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.447 -1.685 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.662 -0.258 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.971 -0.318 -7.126 1.00 0.00 H new ATOM 482 N PHE A 30 8.226 -1.798 -5.371 1.00 0.00 N ATOM 483 CA PHE A 30 8.197 -2.548 -4.076 1.00 0.00 C ATOM 484 C PHE A 30 6.979 -3.441 -4.027 1.00 0.00 C ATOM 485 O PHE A 30 7.071 -4.592 -3.682 1.00 0.00 O ATOM 486 CB PHE A 30 8.093 -1.475 -3.013 1.00 0.00 C ATOM 487 CG PHE A 30 9.477 -1.107 -2.572 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.535 -0.950 -3.492 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.704 -0.939 -1.234 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.805 -0.626 -3.030 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.956 -0.630 -0.789 1.00 0.00 C ATOM 492 CZ PHE A 30 12.006 -0.474 -1.671 1.00 0.00 C ATOM 0 H PHE A 30 8.126 -0.787 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 30 9.073 -3.182 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.576 -0.600 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.509 -1.836 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.359 -1.081 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.893 -1.051 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.623 -0.495 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.128 -0.506 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.990 -0.232 -1.297 1.00 0.00 H new ATOM 502 N ILE A 31 5.847 -2.915 -4.412 1.00 0.00 N ATOM 503 CA ILE A 31 4.599 -3.728 -4.454 1.00 0.00 C ATOM 504 C ILE A 31 4.781 -4.853 -5.493 1.00 0.00 C ATOM 505 O ILE A 31 4.228 -5.913 -5.327 1.00 0.00 O ATOM 506 CB ILE A 31 3.506 -2.717 -4.800 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.350 -1.769 -3.607 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.193 -3.424 -5.058 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.595 -0.520 -4.023 1.00 0.00 C ATOM 0 H ILE A 31 5.734 -1.944 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 31 4.343 -4.237 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 31 3.780 -2.167 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.817 -2.273 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.332 -1.497 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.426 -2.689 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.311 -4.117 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.895 -3.976 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.491 0.145 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.144 -0.009 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.606 -0.797 -4.389 1.00 0.00 H new ATOM 521 N GLN A 32 5.608 -4.655 -6.524 1.00 0.00 N ATOM 522 CA GLN A 32 5.867 -5.768 -7.503 1.00 0.00 C ATOM 523 C GLN A 32 6.746 -6.842 -6.820 1.00 0.00 C ATOM 524 O GLN A 32 6.424 -8.014 -6.854 1.00 0.00 O ATOM 525 CB GLN A 32 6.586 -5.128 -8.704 1.00 0.00 C ATOM 526 CG GLN A 32 5.607 -4.223 -9.467 1.00 0.00 C ATOM 527 CD GLN A 32 6.327 -3.536 -10.632 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.778 -2.416 -10.505 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.450 -4.161 -11.773 1.00 0.00 N ATOM 0 H GLN A 32 6.101 -3.783 -6.717 1.00 0.00 H new ATOM 0 HA GLN A 32 4.951 -6.257 -7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.442 -4.547 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.971 -5.904 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.771 -4.813 -9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.191 -3.474 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.072 -5.102 -11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.924 -3.708 -12.554 1.00 0.00 H new ATOM 538 N SER A 33 7.821 -6.432 -6.151 1.00 0.00 N ATOM 539 CA SER A 33 8.704 -7.409 -5.401 1.00 0.00 C ATOM 540 C SER A 33 7.962 -7.991 -4.178 1.00 0.00 C ATOM 541 O SER A 33 8.217 -9.106 -3.763 1.00 0.00 O ATOM 542 CB SER A 33 9.945 -6.606 -4.971 1.00 0.00 C ATOM 543 OG SER A 33 9.553 -5.418 -4.302 1.00 0.00 O ATOM 0 H SER A 33 8.122 -5.459 -6.094 1.00 0.00 H new ATOM 0 HA SER A 33 8.981 -8.260 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.570 -7.212 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.547 -6.358 -5.845 1.00 0.00 H new ATOM 0 HG SER A 33 8.583 -5.424 -4.165 1.00 0.00 H new ATOM 549 N LEU A 34 7.049 -7.231 -3.612 1.00 0.00 N ATOM 550 CA LEU A 34 6.258 -7.678 -2.419 1.00 0.00 C ATOM 551 C LEU A 34 5.104 -8.615 -2.843 1.00 0.00 C ATOM 552 O LEU A 34 4.902 -9.651 -2.236 1.00 0.00 O ATOM 553 CB LEU A 34 5.748 -6.351 -1.824 1.00 0.00 C ATOM 554 CG LEU A 34 5.010 -6.558 -0.503 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.985 -6.896 0.604 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.297 -5.265 -0.134 1.00 0.00 C ATOM 0 H LEU A 34 6.815 -6.294 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 34 6.836 -8.259 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.591 -5.678 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.082 -5.866 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 34 4.301 -7.378 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.440 -7.040 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.520 -7.812 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.698 -6.080 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.765 -5.399 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.028 -4.464 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.586 -5.005 -0.918 1.00 0.00 H new ATOM 568 N LYS A 35 4.357 -8.264 -3.886 1.00 0.00 N ATOM 569 CA LYS A 35 3.216 -9.137 -4.361 1.00 0.00 C ATOM 570 C LYS A 35 3.765 -10.453 -4.947 1.00 0.00 C ATOM 571 O LYS A 35 3.112 -11.480 -4.871 1.00 0.00 O ATOM 572 CB LYS A 35 2.439 -8.318 -5.430 1.00 0.00 C ATOM 573 CG LYS A 35 1.264 -7.580 -4.792 1.00 0.00 C ATOM 574 CD LYS A 35 0.011 -7.767 -5.653 1.00 0.00 C ATOM 575 CE LYS A 35 -1.240 -7.702 -4.763 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.688 -9.117 -4.585 1.00 0.00 N ATOM 0 H LYS A 35 4.492 -7.409 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 35 2.552 -9.409 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.110 -7.603 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.076 -8.984 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.086 -7.960 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.497 -6.519 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.035 -6.993 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.052 -8.726 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.013 -7.240 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.020 -7.101 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.354 -9.173 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.158 -9.444 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.864 -9.720 -4.390 1.00 0.00 H new ATOM 590 N ASP A 36 4.957 -10.427 -5.522 1.00 0.00 N ATOM 591 CA ASP A 36 5.557 -11.675 -6.107 1.00 0.00 C ATOM 592 C ASP A 36 6.360 -12.469 -5.048 1.00 0.00 C ATOM 593 O ASP A 36 6.364 -13.690 -5.076 1.00 0.00 O ATOM 594 CB ASP A 36 6.482 -11.196 -7.249 1.00 0.00 C ATOM 595 CG ASP A 36 5.691 -10.493 -8.385 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.470 -10.586 -8.421 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.335 -9.865 -9.208 1.00 0.00 O ATOM 0 H ASP A 36 5.537 -9.592 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 36 4.782 -12.352 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.227 -10.509 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.023 -12.049 -7.659 1.00 0.00 H new ATOM 602 N ASP A 37 7.040 -11.798 -4.123 1.00 0.00 N ATOM 603 CA ASP A 37 7.846 -12.529 -3.079 1.00 0.00 C ATOM 604 C ASP A 37 7.316 -12.243 -1.654 1.00 0.00 C ATOM 605 O ASP A 37 7.510 -11.157 -1.130 1.00 0.00 O ATOM 606 CB ASP A 37 9.286 -12.014 -3.233 1.00 0.00 C ATOM 607 CG ASP A 37 10.265 -13.032 -2.630 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.283 -13.172 -1.415 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.982 -13.656 -3.394 1.00 0.00 O ATOM 0 H ASP A 37 7.067 -10.781 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 37 7.782 -13.608 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.515 -11.854 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.394 -11.051 -2.734 1.00 0.00 H new ATOM 614 N PRO A 38 6.664 -13.239 -1.067 1.00 0.00 N ATOM 615 CA PRO A 38 6.108 -13.102 0.315 1.00 0.00 C ATOM 616 C PRO A 38 7.209 -13.067 1.400 1.00 0.00 C ATOM 617 O PRO A 38 7.092 -12.342 2.371 1.00 0.00 O ATOM 618 CB PRO A 38 5.247 -14.357 0.472 1.00 0.00 C ATOM 619 CG PRO A 38 5.846 -15.352 -0.462 1.00 0.00 C ATOM 620 CD PRO A 38 6.368 -14.572 -1.630 1.00 0.00 C ATOM 0 HA PRO A 38 5.561 -12.168 0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.262 -14.721 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.206 -14.156 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.648 -15.908 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.102 -16.081 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.261 -15.034 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.631 -14.512 -2.431 1.00 0.00 H new ATOM 628 N SER A 39 8.258 -13.859 1.250 1.00 0.00 N ATOM 629 CA SER A 39 9.362 -13.898 2.284 1.00 0.00 C ATOM 630 C SER A 39 10.126 -12.569 2.378 1.00 0.00 C ATOM 631 O SER A 39 10.526 -12.168 3.459 1.00 0.00 O ATOM 632 CB SER A 39 10.307 -15.023 1.843 1.00 0.00 C ATOM 633 OG SER A 39 9.582 -16.244 1.736 1.00 0.00 O ATOM 0 H SER A 39 8.398 -14.482 0.454 1.00 0.00 H new ATOM 0 HA SER A 39 8.944 -14.070 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.762 -14.774 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.118 -15.132 2.562 1.00 0.00 H new ATOM 0 HG SER A 39 9.045 -16.377 2.545 1.00 0.00 H new ATOM 639 N GLN A 40 10.331 -11.883 1.270 1.00 0.00 N ATOM 640 CA GLN A 40 11.074 -10.580 1.313 1.00 0.00 C ATOM 641 C GLN A 40 10.154 -9.412 1.721 1.00 0.00 C ATOM 642 O GLN A 40 10.600 -8.291 1.745 1.00 0.00 O ATOM 643 CB GLN A 40 11.597 -10.359 -0.120 1.00 0.00 C ATOM 644 CG GLN A 40 12.883 -9.520 -0.083 1.00 0.00 C ATOM 645 CD GLN A 40 14.079 -10.416 0.260 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.599 -10.358 1.356 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.546 -11.246 -0.636 1.00 0.00 N ATOM 0 H GLN A 40 10.016 -12.170 0.343 1.00 0.00 H new ATOM 0 HA GLN A 40 11.875 -10.615 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.792 -11.319 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.840 -9.853 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.042 -9.039 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.788 -8.725 0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.113 -11.298 -1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.344 -11.841 -0.413 1.00 0.00 H new ATOM 656 N SER A 41 8.882 -9.648 2.014 1.00 0.00 N ATOM 657 CA SER A 41 7.959 -8.511 2.375 1.00 0.00 C ATOM 658 C SER A 41 8.481 -7.663 3.543 1.00 0.00 C ATOM 659 O SER A 41 8.512 -6.453 3.433 1.00 0.00 O ATOM 660 CB SER A 41 6.608 -9.152 2.716 1.00 0.00 C ATOM 661 OG SER A 41 6.727 -9.961 3.882 1.00 0.00 O ATOM 0 H SER A 41 8.450 -10.572 2.018 1.00 0.00 H new ATOM 0 HA SER A 41 7.879 -7.816 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.860 -8.376 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.263 -9.758 1.878 1.00 0.00 H new ATOM 0 HG SER A 41 6.852 -10.897 3.619 1.00 0.00 H new ATOM 667 N ALA A 42 8.916 -8.257 4.644 1.00 0.00 N ATOM 668 CA ALA A 42 9.463 -7.405 5.764 1.00 0.00 C ATOM 669 C ALA A 42 10.685 -6.639 5.256 1.00 0.00 C ATOM 670 O ALA A 42 10.786 -5.444 5.438 1.00 0.00 O ATOM 671 CB ALA A 42 9.919 -8.349 6.841 1.00 0.00 C ATOM 0 H ALA A 42 8.917 -9.263 4.812 1.00 0.00 H new ATOM 0 HA ALA A 42 8.712 -6.703 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.325 -7.779 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.073 -8.945 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.690 -9.009 6.444 1.00 0.00 H new ATOM 677 N ASN A 43 11.588 -7.338 4.578 1.00 0.00 N ATOM 678 CA ASN A 43 12.796 -6.680 3.982 1.00 0.00 C ATOM 679 C ASN A 43 12.349 -5.571 3.049 1.00 0.00 C ATOM 680 O ASN A 43 12.977 -4.550 2.979 1.00 0.00 O ATOM 681 CB ASN A 43 13.489 -7.746 3.148 1.00 0.00 C ATOM 682 CG ASN A 43 14.618 -8.397 3.950 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.530 -9.551 4.315 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.685 -7.701 4.246 1.00 0.00 N ATOM 0 H ASN A 43 11.530 -8.343 4.417 1.00 0.00 H new ATOM 0 HA ASN A 43 13.446 -6.268 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.768 -8.504 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.890 -7.301 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.440 -8.128 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.762 -6.731 3.941 1.00 0.00 H new ATOM 691 N LEU A 44 11.254 -5.787 2.342 1.00 0.00 N ATOM 692 CA LEU A 44 10.716 -4.755 1.410 1.00 0.00 C ATOM 693 C LEU A 44 10.264 -3.556 2.182 1.00 0.00 C ATOM 694 O LEU A 44 10.560 -2.446 1.800 1.00 0.00 O ATOM 695 CB LEU A 44 9.563 -5.402 0.679 1.00 0.00 C ATOM 696 CG LEU A 44 10.154 -6.299 -0.375 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.042 -7.108 -1.010 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.871 -5.419 -1.395 1.00 0.00 C ATOM 0 H LEU A 44 10.710 -6.649 2.379 1.00 0.00 H new ATOM 0 HA LEU A 44 11.473 -4.412 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.943 -5.975 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.922 -4.646 0.226 1.00 0.00 H new ATOM 0 HG LEU A 44 10.874 -6.999 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.459 -7.762 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.549 -7.711 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.316 -6.434 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.309 -6.046 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.158 -4.729 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.659 -4.853 -0.898 1.00 0.00 H new ATOM 710 N LEU A 45 9.608 -3.754 3.296 1.00 0.00 N ATOM 711 CA LEU A 45 9.243 -2.567 4.098 1.00 0.00 C ATOM 712 C LEU A 45 10.532 -1.973 4.673 1.00 0.00 C ATOM 713 O LEU A 45 10.718 -0.790 4.631 1.00 0.00 O ATOM 714 CB LEU A 45 8.306 -3.031 5.188 1.00 0.00 C ATOM 715 CG LEU A 45 8.139 -1.920 6.222 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.808 -0.580 5.525 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.026 -2.320 7.177 1.00 0.00 C ATOM 0 H LEU A 45 9.320 -4.658 3.670 1.00 0.00 H new ATOM 0 HA LEU A 45 8.745 -1.798 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.338 -3.295 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.700 -3.929 5.664 1.00 0.00 H new ATOM 0 HG LEU A 45 9.067 -1.782 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.692 0.202 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.618 -0.313 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.881 -0.682 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.890 -1.539 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.099 -2.454 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.290 -3.254 7.672 1.00 0.00 H new ATOM 729 N ALA A 46 11.432 -2.799 5.172 1.00 0.00 N ATOM 730 CA ALA A 46 12.740 -2.268 5.705 1.00 0.00 C ATOM 731 C ALA A 46 13.465 -1.474 4.621 1.00 0.00 C ATOM 732 O ALA A 46 13.922 -0.390 4.879 1.00 0.00 O ATOM 733 CB ALA A 46 13.581 -3.489 6.017 1.00 0.00 C ATOM 0 H ALA A 46 11.319 -3.811 5.233 1.00 0.00 H new ATOM 0 HA ALA A 46 12.576 -1.625 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.548 -3.174 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.070 -4.102 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.731 -4.070 5.107 1.00 0.00 H new ATOM 739 N GLU A 47 13.551 -2.006 3.411 1.00 0.00 N ATOM 740 CA GLU A 47 14.223 -1.258 2.306 1.00 0.00 C ATOM 741 C GLU A 47 13.359 -0.044 1.955 1.00 0.00 C ATOM 742 O GLU A 47 13.884 1.004 1.664 1.00 0.00 O ATOM 743 CB GLU A 47 14.433 -2.218 1.119 1.00 0.00 C ATOM 744 CG GLU A 47 13.135 -2.756 0.580 1.00 0.00 C ATOM 745 CD GLU A 47 13.434 -3.761 -0.534 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.805 -4.880 -0.209 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.290 -3.398 -1.689 1.00 0.00 O ATOM 0 H GLU A 47 13.184 -2.922 3.152 1.00 0.00 H new ATOM 0 HA GLU A 47 15.206 -0.888 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.965 -1.697 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.065 -3.049 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.567 -3.236 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.521 -1.941 0.197 1.00 0.00 H new ATOM 754 N ALA A 48 12.035 -0.161 2.020 1.00 0.00 N ATOM 755 CA ALA A 48 11.165 1.025 1.755 1.00 0.00 C ATOM 756 C ALA A 48 11.386 2.067 2.855 1.00 0.00 C ATOM 757 O ALA A 48 11.462 3.249 2.588 1.00 0.00 O ATOM 758 CB ALA A 48 9.747 0.469 1.827 1.00 0.00 C ATOM 0 H ALA A 48 11.537 -1.023 2.244 1.00 0.00 H new ATOM 0 HA ALA A 48 11.371 1.509 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.032 1.271 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.622 -0.308 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.572 0.045 2.816 1.00 0.00 H new ATOM 764 N LYS A 49 11.537 1.610 4.085 1.00 0.00 N ATOM 765 CA LYS A 49 11.809 2.516 5.235 1.00 0.00 C ATOM 766 C LYS A 49 13.237 3.052 5.091 1.00 0.00 C ATOM 767 O LYS A 49 13.513 4.212 5.325 1.00 0.00 O ATOM 768 CB LYS A 49 11.619 1.611 6.449 1.00 0.00 C ATOM 769 CG LYS A 49 10.140 1.672 6.828 1.00 0.00 C ATOM 770 CD LYS A 49 9.763 0.426 7.604 1.00 0.00 C ATOM 771 CE LYS A 49 10.195 0.603 9.050 1.00 0.00 C ATOM 772 NZ LYS A 49 9.584 -0.537 9.797 1.00 0.00 N ATOM 0 H LYS A 49 11.480 0.623 4.334 1.00 0.00 H new ATOM 0 HA LYS A 49 11.166 3.393 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.915 0.588 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.243 1.943 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.944 2.560 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.527 1.753 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.688 0.258 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.245 -0.450 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.281 0.591 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.853 1.559 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.844 -0.473 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.549 -0.498 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.933 -1.435 9.406 1.00 0.00 H new ATOM 786 N LYS A 50 14.113 2.196 4.611 1.00 0.00 N ATOM 787 CA LYS A 50 15.528 2.565 4.309 1.00 0.00 C ATOM 788 C LYS A 50 15.506 3.637 3.198 1.00 0.00 C ATOM 789 O LYS A 50 16.243 4.604 3.244 1.00 0.00 O ATOM 790 CB LYS A 50 16.134 1.225 3.838 1.00 0.00 C ATOM 791 CG LYS A 50 17.366 1.397 2.942 1.00 0.00 C ATOM 792 CD LYS A 50 17.420 0.214 1.957 1.00 0.00 C ATOM 793 CE LYS A 50 17.831 -1.075 2.694 1.00 0.00 C ATOM 794 NZ LYS A 50 19.327 -1.097 2.671 1.00 0.00 N ATOM 0 H LYS A 50 13.891 1.221 4.411 1.00 0.00 H new ATOM 0 HA LYS A 50 16.100 2.987 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.408 0.632 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.375 0.662 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.311 2.340 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.273 1.429 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.446 0.078 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.131 0.428 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.455 -1.077 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.419 -1.956 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.669 -1.950 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.659 -1.103 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.694 -0.252 3.154 1.00 0.00 H new ATOM 808 N LEU A 51 14.614 3.470 2.230 1.00 0.00 N ATOM 809 CA LEU A 51 14.459 4.470 1.124 1.00 0.00 C ATOM 810 C LEU A 51 13.802 5.732 1.670 1.00 0.00 C ATOM 811 O LEU A 51 14.118 6.824 1.262 1.00 0.00 O ATOM 812 CB LEU A 51 13.521 3.809 0.098 1.00 0.00 C ATOM 813 CG LEU A 51 14.282 3.190 -1.085 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.730 2.867 -0.721 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.588 1.908 -1.487 1.00 0.00 C ATOM 0 H LEU A 51 13.984 2.670 2.167 1.00 0.00 H new ATOM 0 HA LEU A 51 15.418 4.745 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.935 3.035 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.817 4.552 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 51 14.289 3.912 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.234 2.431 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.243 3.782 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.748 2.157 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.116 1.456 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.585 1.216 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.561 2.127 -1.780 1.00 0.00 H new ATOM 827 N ASN A 52 12.880 5.566 2.594 1.00 0.00 N ATOM 828 CA ASN A 52 12.172 6.728 3.200 1.00 0.00 C ATOM 829 C ASN A 52 13.189 7.679 3.859 1.00 0.00 C ATOM 830 O ASN A 52 13.113 8.878 3.691 1.00 0.00 O ATOM 831 CB ASN A 52 11.238 6.115 4.248 1.00 0.00 C ATOM 832 CG ASN A 52 10.266 7.177 4.751 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.352 7.552 4.052 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.436 7.683 5.938 1.00 0.00 N ATOM 0 H ASN A 52 12.589 4.657 2.955 1.00 0.00 H new ATOM 0 HA ASN A 52 11.623 7.316 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.688 5.280 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.819 5.717 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.797 8.399 6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.208 7.363 6.523 1.00 0.00 H new ATOM 841 N ASP A 53 14.147 7.132 4.585 1.00 0.00 N ATOM 842 CA ASP A 53 15.199 7.987 5.245 1.00 0.00 C ATOM 843 C ASP A 53 16.243 8.461 4.214 1.00 0.00 C ATOM 844 O ASP A 53 16.685 9.596 4.257 1.00 0.00 O ATOM 845 CB ASP A 53 15.865 7.096 6.308 1.00 0.00 C ATOM 846 CG ASP A 53 14.836 6.632 7.358 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.118 7.471 7.884 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.793 5.443 7.622 1.00 0.00 O ATOM 0 H ASP A 53 14.245 6.130 4.749 1.00 0.00 H new ATOM 0 HA ASP A 53 14.760 8.881 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.319 6.228 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.668 7.646 6.798 1.00 0.00 H new ATOM 853 N ALA A 54 16.626 7.599 3.286 1.00 0.00 N ATOM 854 CA ALA A 54 17.635 7.984 2.231 1.00 0.00 C ATOM 855 C ALA A 54 17.039 9.045 1.286 1.00 0.00 C ATOM 856 O ALA A 54 17.700 10.003 0.926 1.00 0.00 O ATOM 857 CB ALA A 54 17.936 6.693 1.465 1.00 0.00 C ATOM 0 H ALA A 54 16.281 6.642 3.215 1.00 0.00 H new ATOM 0 HA ALA A 54 18.537 8.414 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.664 6.897 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.341 5.949 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.018 6.313 1.018 1.00 0.00 H new ATOM 863 N GLN A 55 15.785 8.882 0.913 1.00 0.00 N ATOM 864 CA GLN A 55 15.098 9.876 0.019 1.00 0.00 C ATOM 865 C GLN A 55 14.413 10.985 0.859 1.00 0.00 C ATOM 866 O GLN A 55 13.710 11.824 0.315 1.00 0.00 O ATOM 867 CB GLN A 55 14.039 9.074 -0.754 1.00 0.00 C ATOM 868 CG GLN A 55 14.703 7.970 -1.595 1.00 0.00 C ATOM 869 CD GLN A 55 13.626 7.220 -2.385 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.691 7.136 -3.592 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.629 6.675 -1.745 1.00 0.00 N ATOM 0 H GLN A 55 15.203 8.093 1.194 1.00 0.00 H new ATOM 0 HA GLN A 55 15.807 10.368 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.330 8.630 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.472 9.741 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.433 8.406 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.243 7.279 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.575 6.746 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.903 6.177 -2.261 1.00 0.00 H new ATOM 880 N ALA A 56 14.599 10.992 2.177 1.00 0.00 N ATOM 881 CA ALA A 56 13.950 12.034 3.043 1.00 0.00 C ATOM 882 C ALA A 56 14.605 13.404 2.869 1.00 0.00 C ATOM 883 O ALA A 56 15.779 13.497 2.544 1.00 0.00 O ATOM 884 CB ALA A 56 14.140 11.575 4.491 1.00 0.00 C ATOM 0 H ALA A 56 15.174 10.316 2.680 1.00 0.00 H new ATOM 0 HA ALA A 56 12.900 12.138 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.685 12.300 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.666 10.603 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.205 11.494 4.710 1.00 0.00 H new ATOM 890 N PRO A 57 13.816 14.432 3.118 1.00 0.00 N ATOM 891 CA PRO A 57 14.323 15.819 3.013 1.00 0.00 C ATOM 892 C PRO A 57 15.281 16.125 4.178 1.00 0.00 C ATOM 893 O PRO A 57 14.988 15.832 5.328 1.00 0.00 O ATOM 894 CB PRO A 57 13.063 16.670 3.102 1.00 0.00 C ATOM 895 CG PRO A 57 12.096 15.827 3.862 1.00 0.00 C ATOM 896 CD PRO A 57 12.396 14.399 3.507 1.00 0.00 C ATOM 0 HA PRO A 57 14.887 16.004 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.256 17.613 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.681 16.918 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.201 15.989 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.070 16.084 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.227 13.731 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.765 14.047 2.691 1.00 0.00 H new ATOM 904 N LYS A 58 16.418 16.703 3.874 1.00 0.00 N ATOM 905 CA LYS A 58 17.442 17.042 4.932 1.00 0.00 C ATOM 906 C LYS A 58 18.597 17.886 4.348 1.00 0.00 C ATOM 907 O LYS A 58 18.959 17.675 3.197 1.00 0.00 O ATOM 908 CB LYS A 58 17.963 15.688 5.477 1.00 0.00 C ATOM 909 CG LYS A 58 18.516 14.810 4.341 1.00 0.00 C ATOM 910 CD LYS A 58 18.794 13.401 4.875 1.00 0.00 C ATOM 911 CE LYS A 58 19.350 12.520 3.747 1.00 0.00 C ATOM 912 NZ LYS A 58 18.160 11.874 3.113 1.00 0.00 N ATOM 913 OXT LYS A 58 19.099 18.733 5.067 1.00 0.00 O ATOM 0 H LYS A 58 16.690 16.961 2.925 1.00 0.00 H new ATOM 0 HA LYS A 58 16.999 17.644 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.744 15.866 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.155 15.163 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.800 14.765 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.432 15.247 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 58 19.507 13.448 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.877 12.965 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.904 13.116 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.039 11.772 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.444 11.425 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.774 11.153 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.434 12.594 2.924 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 0.682 -13.608 -21.182 1.00 0.00 N ATOM 929 CA VAL B 1 1.369 -12.667 -20.234 1.00 0.00 C ATOM 930 C VAL B 1 0.838 -12.855 -18.796 1.00 0.00 C ATOM 931 O VAL B 1 -0.297 -13.255 -18.590 1.00 0.00 O ATOM 932 CB VAL B 1 1.084 -11.240 -20.771 1.00 0.00 C ATOM 933 CG1 VAL B 1 -0.370 -10.821 -20.496 1.00 0.00 C ATOM 934 CG2 VAL B 1 2.033 -10.240 -20.099 1.00 0.00 C ATOM 0 H1 VAL B 1 1.374 -14.284 -21.563 1.00 0.00 H new ATOM 0 H2 VAL B 1 -0.065 -14.125 -20.677 1.00 0.00 H new ATOM 0 H3 VAL B 1 0.261 -13.067 -21.964 1.00 0.00 H new ATOM 0 HA VAL B 1 2.442 -12.854 -20.184 1.00 0.00 H new ATOM 0 HB VAL B 1 1.244 -11.245 -21.849 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -0.539 -9.816 -20.884 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -1.049 -11.518 -20.987 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -0.554 -10.831 -19.422 1.00 0.00 H new ATOM 0 HG21 VAL B 1 1.832 -9.237 -20.477 1.00 0.00 H new ATOM 0 HG22 VAL B 1 1.877 -10.259 -19.020 1.00 0.00 H new ATOM 0 HG23 VAL B 1 3.065 -10.512 -20.322 1.00 0.00 H new ATOM 946 N ASP B 2 1.659 -12.558 -17.805 1.00 0.00 N ATOM 947 CA ASP B 2 1.224 -12.704 -16.375 1.00 0.00 C ATOM 948 C ASP B 2 0.461 -11.445 -15.934 1.00 0.00 C ATOM 949 O ASP B 2 0.991 -10.346 -15.966 1.00 0.00 O ATOM 950 CB ASP B 2 2.527 -12.879 -15.564 1.00 0.00 C ATOM 951 CG ASP B 2 2.255 -13.363 -14.117 1.00 0.00 C ATOM 952 OD1 ASP B 2 1.118 -13.313 -13.662 1.00 0.00 O ATOM 953 OD2 ASP B 2 3.210 -13.774 -13.480 1.00 0.00 O ATOM 0 H ASP B 2 2.613 -12.220 -17.929 1.00 0.00 H new ATOM 0 HA ASP B 2 0.553 -13.550 -16.227 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.174 -13.596 -16.069 1.00 0.00 H new ATOM 0 HB3 ASP B 2 3.064 -11.931 -15.533 1.00 0.00 H new ATOM 958 N ASN B 3 -0.780 -11.609 -15.518 1.00 0.00 N ATOM 959 CA ASN B 3 -1.591 -10.434 -15.062 1.00 0.00 C ATOM 960 C ASN B 3 -1.356 -10.194 -13.561 1.00 0.00 C ATOM 961 O ASN B 3 -2.094 -10.674 -12.714 1.00 0.00 O ATOM 962 CB ASN B 3 -3.056 -10.808 -15.353 1.00 0.00 C ATOM 963 CG ASN B 3 -3.949 -9.570 -15.195 1.00 0.00 C ATOM 964 OD1 ASN B 3 -3.972 -8.715 -16.055 1.00 0.00 O ATOM 965 ND2 ASN B 3 -4.683 -9.437 -14.123 1.00 0.00 N ATOM 0 H ASN B 3 -1.262 -12.507 -15.476 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.318 -9.511 -15.574 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -3.146 -11.206 -16.364 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -3.383 -11.593 -14.671 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -5.275 -8.614 -14.009 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -4.664 -10.156 -13.400 1.00 0.00 H new ATOM 972 N LYS B 4 -0.320 -9.449 -13.235 1.00 0.00 N ATOM 973 CA LYS B 4 -0.009 -9.156 -11.795 1.00 0.00 C ATOM 974 C LYS B 4 -0.755 -7.893 -11.340 1.00 0.00 C ATOM 975 O LYS B 4 -0.831 -6.911 -12.061 1.00 0.00 O ATOM 976 CB LYS B 4 1.515 -8.954 -11.729 1.00 0.00 C ATOM 977 CG LYS B 4 2.127 -9.965 -10.752 1.00 0.00 C ATOM 978 CD LYS B 4 2.129 -11.360 -11.391 1.00 0.00 C ATOM 979 CE LYS B 4 2.738 -12.383 -10.422 1.00 0.00 C ATOM 980 NZ LYS B 4 4.177 -12.502 -10.810 1.00 0.00 N ATOM 0 H LYS B 4 0.324 -9.031 -13.906 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.326 -9.964 -11.135 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.952 -9.080 -12.720 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.744 -7.938 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS B 4 3.145 -9.669 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.557 -9.980 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.111 -11.652 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.700 -11.342 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.637 -12.051 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.231 -13.345 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.672 -13.107 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.247 -12.924 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 4.614 -11.558 -10.818 1.00 0.00 H new ATOM 994 N PHE B 5 -1.312 -7.924 -10.147 1.00 0.00 N ATOM 995 CA PHE B 5 -2.078 -6.747 -9.616 1.00 0.00 C ATOM 996 C PHE B 5 -1.186 -5.750 -8.840 1.00 0.00 C ATOM 997 O PHE B 5 -1.695 -4.787 -8.291 1.00 0.00 O ATOM 998 CB PHE B 5 -3.119 -7.363 -8.681 1.00 0.00 C ATOM 999 CG PHE B 5 -4.326 -7.830 -9.468 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.341 -9.107 -10.042 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.430 -6.984 -9.618 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.460 -9.536 -10.765 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.548 -7.413 -10.340 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.563 -8.687 -10.914 1.00 0.00 C ATOM 0 H PHE B 5 -1.267 -8.723 -9.514 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.513 -6.166 -10.430 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.681 -8.203 -8.142 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.425 -6.630 -7.934 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.489 -9.761 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -5.419 -5.999 -9.176 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.472 -10.521 -11.208 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.400 -6.759 -10.454 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.426 -9.017 -11.473 1.00 0.00 H new ATOM 1014 N ASN B 6 0.123 -5.959 -8.782 1.00 0.00 N ATOM 1015 CA ASN B 6 1.019 -4.998 -8.028 1.00 0.00 C ATOM 1016 C ASN B 6 0.935 -3.573 -8.607 1.00 0.00 C ATOM 1017 O ASN B 6 0.932 -2.603 -7.868 1.00 0.00 O ATOM 1018 CB ASN B 6 2.470 -5.550 -8.082 1.00 0.00 C ATOM 1019 CG ASN B 6 2.845 -6.118 -9.469 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.568 -5.522 -10.492 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.481 -7.257 -9.540 1.00 0.00 N ATOM 0 H ASN B 6 0.604 -6.745 -9.219 1.00 0.00 H new ATOM 0 HA ASN B 6 0.690 -4.924 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.167 -4.753 -7.821 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.584 -6.332 -7.332 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.741 -7.640 -10.449 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.717 -7.763 -8.687 1.00 0.00 H new ATOM 1028 N LYS B 7 0.827 -3.446 -9.909 1.00 0.00 N ATOM 1029 CA LYS B 7 0.697 -2.085 -10.544 1.00 0.00 C ATOM 1030 C LYS B 7 -0.600 -1.404 -10.083 1.00 0.00 C ATOM 1031 O LYS B 7 -0.654 -0.197 -9.922 1.00 0.00 O ATOM 1032 CB LYS B 7 0.676 -2.328 -12.059 1.00 0.00 C ATOM 1033 CG LYS B 7 0.775 -0.986 -12.808 1.00 0.00 C ATOM 1034 CD LYS B 7 2.224 -0.465 -12.776 1.00 0.00 C ATOM 1035 CE LYS B 7 2.395 0.572 -11.650 1.00 0.00 C ATOM 1036 NZ LYS B 7 1.951 1.881 -12.222 1.00 0.00 N ATOM 0 H LYS B 7 0.823 -4.227 -10.565 1.00 0.00 H new ATOM 0 HA LYS B 7 1.519 -1.427 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.506 -2.975 -12.344 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.242 -2.844 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.449 -1.112 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS B 7 0.108 -0.256 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.913 -1.296 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.477 -0.015 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.797 0.304 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.433 0.622 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.577 2.483 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.760 2.355 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.208 1.716 -12.930 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.631 -2.180 -9.859 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.933 -1.614 -9.383 1.00 0.00 C ATOM 1052 C GLU B 8 -2.816 -1.102 -7.949 1.00 0.00 C ATOM 1053 O GLU B 8 -3.467 -0.144 -7.596 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.946 -2.760 -9.476 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.864 -2.539 -10.678 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.703 -3.800 -10.923 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.738 -3.937 -10.292 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.291 -4.609 -11.739 1.00 0.00 O ATOM 0 H GLU B 8 -1.627 -3.192 -9.987 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.241 -0.761 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.425 -3.712 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.535 -2.813 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.517 -1.685 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.272 -2.306 -11.563 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.961 -1.690 -7.140 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.784 -1.173 -5.740 1.00 0.00 C ATOM 1067 C LEU B 9 -0.934 0.095 -5.778 1.00 0.00 C ATOM 1068 O LEU B 9 -0.968 0.895 -4.863 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.066 -2.224 -4.895 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.563 -3.644 -5.173 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.529 -4.642 -4.621 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.924 -3.823 -4.477 1.00 0.00 C ATOM 0 H LEU B 9 -1.385 -2.495 -7.384 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.760 -0.956 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.005 -2.173 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.207 -1.994 -3.839 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.684 -3.820 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.868 -5.660 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.430 -4.481 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.416 -4.492 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.298 -4.830 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.807 -3.671 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.633 -3.095 -4.871 1.00 0.00 H new ATOM 1084 N SER B 10 -0.189 0.299 -6.845 1.00 0.00 N ATOM 1085 CA SER B 10 0.625 1.530 -6.971 1.00 0.00 C ATOM 1086 C SER B 10 -0.352 2.720 -7.048 1.00 0.00 C ATOM 1087 O SER B 10 -0.234 3.685 -6.309 1.00 0.00 O ATOM 1088 CB SER B 10 1.419 1.330 -8.286 1.00 0.00 C ATOM 1089 OG SER B 10 1.272 2.451 -9.164 1.00 0.00 O ATOM 0 H SER B 10 -0.118 -0.346 -7.632 1.00 0.00 H new ATOM 0 HA SER B 10 1.307 1.722 -6.143 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.474 1.183 -8.056 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.073 0.426 -8.787 1.00 0.00 H new ATOM 0 HG SER B 10 1.574 3.265 -8.709 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.338 2.613 -7.929 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.354 3.704 -8.097 1.00 0.00 C ATOM 1097 C VAL B 11 -3.443 3.590 -7.018 1.00 0.00 C ATOM 1098 O VAL B 11 -3.682 4.529 -6.281 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.950 3.497 -9.508 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.819 4.702 -9.884 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.823 3.337 -10.545 1.00 0.00 C ATOM 0 H VAL B 11 -1.476 1.807 -8.539 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.912 4.695 -7.992 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.559 2.593 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.237 4.552 -10.879 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.629 4.806 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.210 5.606 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.257 3.192 -11.534 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.202 4.233 -10.549 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.211 2.473 -10.287 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.093 2.443 -6.923 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.170 2.251 -5.894 1.00 0.00 C ATOM 1113 C ALA B 12 -4.607 2.352 -4.486 1.00 0.00 C ATOM 1114 O ALA B 12 -5.102 3.097 -3.675 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.733 0.845 -6.126 1.00 0.00 C ATOM 0 H ALA B 12 -3.920 1.632 -7.517 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.936 3.020 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.525 0.646 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.138 0.777 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.938 0.110 -6.004 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.575 1.609 -4.215 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.949 1.604 -2.869 1.00 0.00 C ATOM 1123 C GLY B 13 -2.497 2.990 -2.467 1.00 0.00 C ATOM 1124 O GLY B 13 -2.874 3.472 -1.416 1.00 0.00 O ATOM 0 H GLY B 13 -3.128 0.988 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.661 1.225 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.096 0.926 -2.865 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.650 3.605 -3.260 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.127 4.946 -2.859 1.00 0.00 C ATOM 1130 C ARG B 14 -2.246 6.005 -2.712 1.00 0.00 C ATOM 1131 O ARG B 14 -2.194 6.817 -1.811 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.087 5.364 -3.891 1.00 0.00 C ATOM 1133 CG ARG B 14 0.755 6.519 -3.318 1.00 0.00 C ATOM 1134 CD ARG B 14 1.291 6.155 -1.919 1.00 0.00 C ATOM 1135 NE ARG B 14 2.642 6.779 -1.832 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.818 7.904 -1.180 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.443 7.898 -0.027 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.375 9.031 -1.684 1.00 0.00 N ATOM 0 H ARG B 14 -1.305 3.244 -4.149 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.673 4.875 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.555 4.519 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.577 5.677 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.587 6.737 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.149 7.423 -3.258 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.633 6.534 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.350 5.074 -1.791 1.00 0.00 H new ATOM 0 HE ARG B 14 3.437 6.327 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.791 7.021 0.360 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.582 8.771 0.483 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.893 9.033 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.512 9.905 -1.177 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.260 6.002 -3.555 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.371 7.014 -3.388 1.00 0.00 C ATOM 1154 C GLU B 15 -5.193 6.677 -2.119 1.00 0.00 C ATOM 1155 O GLU B 15 -5.509 7.550 -1.335 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.230 6.907 -4.648 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.491 7.514 -5.848 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.392 7.466 -7.089 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.452 6.421 -7.715 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.008 8.474 -7.388 1.00 0.00 O ATOM 0 H GLU B 15 -3.369 5.357 -4.338 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.992 8.028 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.466 5.862 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.177 7.424 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.210 8.544 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.568 6.964 -6.035 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.485 5.399 -1.911 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.240 4.914 -0.684 1.00 0.00 C ATOM 1169 C ILE B 16 -5.457 5.237 0.604 1.00 0.00 C ATOM 1170 O ILE B 16 -6.032 5.461 1.658 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.311 3.374 -0.868 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.300 3.016 -1.993 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.771 2.683 0.421 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.159 1.535 -2.370 1.00 0.00 C ATOM 0 H ILE B 16 -5.225 4.653 -2.556 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.218 5.387 -0.592 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.309 3.029 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.320 3.221 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.111 3.641 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.811 1.605 0.262 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.068 2.905 1.224 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.761 3.046 0.695 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.863 1.294 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.143 1.342 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.371 0.916 -1.498 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.154 5.211 0.517 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.279 5.462 1.701 1.00 0.00 C ATOM 1188 C VAL B 17 -2.974 6.966 1.909 1.00 0.00 C ATOM 1189 O VAL B 17 -2.537 7.347 2.982 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.024 4.635 1.355 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.098 5.366 0.412 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.276 4.223 2.594 1.00 0.00 C ATOM 0 H VAL B 17 -3.646 5.021 -0.347 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.735 5.175 2.649 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.380 3.739 0.847 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.230 4.743 0.199 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.624 5.586 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.771 6.298 0.873 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.398 3.642 2.312 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.963 5.111 3.142 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.925 3.617 3.226 1.00 0.00 H new ATOM 1202 N THR B 18 -3.166 7.818 0.901 1.00 0.00 N ATOM 1203 CA THR B 18 -2.832 9.279 1.082 1.00 0.00 C ATOM 1204 C THR B 18 -4.025 10.237 0.899 1.00 0.00 C ATOM 1205 O THR B 18 -3.807 11.441 0.905 1.00 0.00 O ATOM 1206 CB THR B 18 -1.754 9.606 0.027 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.288 9.447 -1.283 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.551 8.687 0.210 1.00 0.00 C ATOM 0 H THR B 18 -3.532 7.564 -0.017 1.00 0.00 H new ATOM 0 HA THR B 18 -2.501 9.429 2.110 1.00 0.00 H new ATOM 0 HB THR B 18 -1.436 10.640 0.157 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.203 8.511 -1.560 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.205 8.924 -0.538 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.133 8.829 1.206 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.864 7.650 0.093 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.268 9.777 0.735 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.378 10.796 0.563 1.00 0.00 C ATOM 1218 C LEU B 19 -6.478 11.703 1.826 1.00 0.00 C ATOM 1219 O LEU B 19 -6.140 11.284 2.923 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.682 10.063 0.217 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.009 8.938 1.193 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.476 9.059 1.542 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.766 7.583 0.528 1.00 0.00 C ATOM 0 H LEU B 19 -5.547 8.796 0.714 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.162 11.469 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.504 10.779 0.208 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.606 9.653 -0.790 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.382 9.010 2.081 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.750 8.269 2.241 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.662 10.030 2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.074 8.966 0.636 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.002 6.785 1.232 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.402 7.490 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.720 7.506 0.230 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.825 12.963 1.585 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.825 14.020 2.658 1.00 0.00 C ATOM 1237 C PRO B 20 -7.905 13.882 3.749 1.00 0.00 C ATOM 1238 O PRO B 20 -7.649 14.228 4.889 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.043 15.314 1.871 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.741 14.901 0.618 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.275 13.509 0.294 1.00 0.00 C ATOM 0 HA PRO B 20 -5.898 13.960 3.228 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.644 16.024 2.440 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.095 15.804 1.650 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.822 14.924 0.753 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.507 15.586 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.080 12.910 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.466 13.521 -0.436 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.098 13.434 3.428 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.172 13.349 4.490 1.00 0.00 C ATOM 1251 C ASN B 21 -10.190 11.992 5.216 1.00 0.00 C ATOM 1252 O ASN B 21 -11.111 11.720 5.965 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.508 13.552 3.766 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.609 14.931 3.098 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.794 15.809 3.317 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.607 15.157 2.291 1.00 0.00 N ATOM 0 H ASN B 21 -9.378 13.127 2.496 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.984 14.103 5.254 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.630 12.776 3.011 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.325 13.436 4.478 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.705 16.068 1.844 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.290 14.422 2.107 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.213 11.135 4.997 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.221 9.797 5.671 1.00 0.00 C ATOM 1265 C LEU B 22 -8.281 9.757 6.875 1.00 0.00 C ATOM 1266 O LEU B 22 -7.343 10.531 6.991 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.718 8.825 4.622 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.183 7.393 4.911 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.685 7.240 4.617 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.388 6.443 4.016 1.00 0.00 C ATOM 0 H LEU B 22 -8.416 11.306 4.384 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.218 9.561 6.042 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.075 9.133 3.639 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.629 8.855 4.590 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.016 7.161 5.963 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.995 6.217 4.829 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.251 7.928 5.246 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.875 7.467 3.568 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.703 5.417 4.205 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.569 6.691 2.970 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.325 6.542 4.234 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.523 8.808 7.734 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.653 8.603 8.947 1.00 0.00 C ATOM 1284 C ASN B 23 -6.861 7.279 8.809 1.00 0.00 C ATOM 1285 O ASN B 23 -7.146 6.473 7.936 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.599 8.616 10.170 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.588 7.435 10.169 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.490 6.527 9.371 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.548 7.410 11.054 1.00 0.00 N ATOM 0 H ASN B 23 -9.298 8.150 7.654 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.905 9.387 9.061 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.005 8.587 11.084 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.157 9.552 10.182 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.207 6.632 11.070 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.639 8.169 11.729 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.846 7.076 9.633 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.986 5.836 9.528 1.00 0.00 C ATOM 1298 C ASP B 24 -5.750 4.475 9.603 1.00 0.00 C ATOM 1299 O ASP B 24 -5.354 3.567 8.894 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.891 5.953 10.619 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.472 5.902 12.037 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.884 6.943 12.525 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.480 4.827 12.614 1.00 0.00 O ATOM 0 H ASP B 24 -5.575 7.719 10.377 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.558 5.806 8.526 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.170 5.145 10.495 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.347 6.888 10.485 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.795 4.327 10.432 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.510 3.009 10.503 1.00 0.00 C ATOM 1310 C PRO B 25 -8.260 2.663 9.195 1.00 0.00 C ATOM 1311 O PRO B 25 -8.263 1.513 8.791 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.480 3.180 11.670 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.695 4.649 11.775 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.406 5.304 11.357 1.00 0.00 C ATOM 0 HA PRO B 25 -6.815 2.181 10.642 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.417 2.655 11.485 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.064 2.774 12.592 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.517 4.967 11.133 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.959 4.930 12.794 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.585 6.261 10.867 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.761 5.500 12.214 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.898 3.623 8.528 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.630 3.290 7.260 1.00 0.00 C ATOM 1324 C GLN B 26 -8.644 2.928 6.146 1.00 0.00 C ATOM 1325 O GLN B 26 -8.796 1.883 5.541 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.483 4.517 6.931 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.824 4.358 7.667 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.077 5.524 8.625 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.363 5.310 9.785 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -11.984 6.752 8.204 1.00 0.00 N ATOM 0 H GLN B 26 -8.937 4.603 8.810 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.269 2.414 7.369 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.979 5.430 7.246 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.643 4.596 5.856 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.635 4.299 6.941 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.826 3.421 8.224 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.744 6.941 7.231 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -12.151 7.526 8.847 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.612 3.734 5.894 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.593 3.349 4.836 1.00 0.00 C ATOM 1341 C LYS B 27 -6.041 1.965 5.157 1.00 0.00 C ATOM 1342 O LYS B 27 -5.858 1.151 4.276 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.453 4.384 4.804 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.036 4.910 6.187 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.327 6.257 6.002 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.342 7.364 5.655 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.547 8.457 5.019 1.00 0.00 N ATOM 0 H LYS B 27 -7.436 4.621 6.365 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.070 3.330 3.856 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.584 3.935 4.322 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.761 5.227 4.185 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.910 5.027 6.827 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.374 4.198 6.679 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.792 6.520 6.914 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.584 6.176 5.209 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.110 6.992 4.976 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.853 7.721 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.192 9.144 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.973 8.935 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.922 8.054 4.292 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.832 1.690 6.425 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.353 0.339 6.852 1.00 0.00 C ATOM 1363 C LYS B 28 -6.349 -0.737 6.375 1.00 0.00 C ATOM 1364 O LYS B 28 -5.965 -1.770 5.859 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.386 0.370 8.393 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.983 0.276 8.951 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.553 -1.191 9.023 1.00 0.00 C ATOM 1368 CE LYS B 28 -2.021 -1.303 8.968 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.503 -0.680 10.228 1.00 0.00 N ATOM 0 H LYS B 28 -5.975 2.352 7.187 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.366 0.114 6.448 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.860 1.290 8.735 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.990 -0.457 8.767 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.293 0.837 8.321 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.945 0.725 9.943 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.924 -1.641 9.944 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.995 -1.747 8.196 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.711 -2.345 8.895 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.626 -0.790 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.966 0.180 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.302 -0.432 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.881 -1.354 10.718 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.636 -0.477 6.582 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.714 -1.446 6.193 1.00 0.00 C ATOM 1385 C ALA B 29 -8.734 -1.718 4.682 1.00 0.00 C ATOM 1386 O ALA B 29 -8.722 -2.874 4.287 1.00 0.00 O ATOM 1387 CB ALA B 29 -10.033 -0.792 6.637 1.00 0.00 C ATOM 0 H ALA B 29 -7.979 0.382 7.011 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.549 -2.414 6.665 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.867 -1.446 6.384 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -10.014 -0.629 7.715 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.154 0.164 6.128 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.756 -0.697 3.823 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.769 -1.019 2.351 1.00 0.00 C ATOM 1395 C PHE B 30 -7.367 -1.398 1.852 1.00 0.00 C ATOM 1396 O PHE B 30 -7.273 -2.213 0.969 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.337 0.128 1.463 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.814 1.368 2.178 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.888 2.318 2.570 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.184 1.607 2.357 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.318 3.507 3.156 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.611 2.798 2.929 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.677 3.751 3.334 1.00 0.00 C ATOM 0 H PHE B 30 -8.765 0.293 4.069 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.443 -1.870 2.252 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.565 0.422 0.752 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.169 -0.271 0.883 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.833 2.138 2.422 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.907 0.865 2.050 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.594 4.243 3.473 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.666 2.986 3.060 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.007 4.676 3.784 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.276 -0.842 2.381 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.919 -1.264 1.854 1.00 0.00 C ATOM 1415 C ILE B 31 -4.717 -2.776 2.091 1.00 0.00 C ATOM 1416 O ILE B 31 -4.337 -3.494 1.185 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.808 -0.475 2.594 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.698 0.980 2.045 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.449 -1.207 2.391 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.241 1.362 1.862 1.00 0.00 C ATOM 0 H ILE B 31 -6.267 -0.143 3.124 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.867 -1.054 0.786 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.059 -0.425 3.654 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.224 1.058 1.094 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.180 1.674 2.734 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.660 -0.660 2.908 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.516 -2.217 2.796 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.218 -1.257 1.327 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.177 2.380 1.478 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.726 1.303 2.821 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.771 0.678 1.155 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.947 -3.248 3.307 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.748 -4.711 3.605 1.00 0.00 C ATOM 1434 C PHE B 32 -5.690 -5.564 2.723 1.00 0.00 C ATOM 1435 O PHE B 32 -5.268 -6.572 2.189 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.993 -4.885 5.125 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.671 -4.674 5.870 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.999 -3.422 5.813 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.078 -5.740 6.608 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.783 -3.270 6.459 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.867 -5.544 7.247 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.226 -4.327 7.168 1.00 0.00 C ATOM 0 H PHE B 32 -5.261 -2.685 4.097 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.742 -5.055 3.367 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.739 -4.169 5.471 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.387 -5.880 5.331 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.433 -2.596 5.270 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.573 -6.698 6.668 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.265 -2.324 6.411 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.421 -6.350 7.811 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.276 -4.193 7.665 1.00 0.00 H new ATOM 1452 N SER B 33 -6.929 -5.138 2.507 1.00 0.00 N ATOM 1453 CA SER B 33 -7.843 -5.912 1.581 1.00 0.00 C ATOM 1454 C SER B 33 -7.398 -5.695 0.109 1.00 0.00 C ATOM 1455 O SER B 33 -7.523 -6.580 -0.712 1.00 0.00 O ATOM 1456 CB SER B 33 -9.266 -5.385 1.831 1.00 0.00 C ATOM 1457 OG SER B 33 -9.351 -4.016 1.473 1.00 0.00 O ATOM 0 H SER B 33 -7.339 -4.303 2.925 1.00 0.00 H new ATOM 0 HA SER B 33 -7.805 -6.985 1.768 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.984 -5.965 1.251 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.529 -5.511 2.881 1.00 0.00 H new ATOM 0 HG SER B 33 -8.448 -3.645 1.380 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.839 -4.530 -0.202 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.315 -4.225 -1.590 1.00 0.00 C ATOM 1465 C LEU B 34 -5.121 -5.148 -1.888 1.00 0.00 C ATOM 1466 O LEU B 34 -4.985 -5.650 -2.989 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.909 -2.725 -1.522 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.019 -2.280 -2.682 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.868 -1.977 -3.927 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.265 -1.006 -2.265 1.00 0.00 C ATOM 0 H LEU B 34 -6.723 -3.765 0.463 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.036 -4.395 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.811 -2.113 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.387 -2.540 -0.583 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.318 -3.079 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.218 -1.662 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.413 -2.874 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.577 -1.181 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.626 -0.677 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.982 -0.220 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.652 -1.216 -1.388 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.282 -5.389 -0.900 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.112 -6.299 -1.092 1.00 0.00 C ATOM 1484 C TRP B 35 -3.568 -7.765 -1.253 1.00 0.00 C ATOM 1485 O TRP B 35 -3.108 -8.467 -2.135 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.277 -6.169 0.180 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.045 -6.980 -0.014 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.788 -8.176 0.557 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.075 -6.690 -0.872 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.422 -8.629 0.098 1.00 0.00 N ATOM 1491 CE2 TRP B 35 1.004 -7.738 -0.772 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.373 -5.617 -1.715 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.189 -7.716 -1.486 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.564 -5.592 -2.430 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.469 -6.633 -2.316 1.00 0.00 C ATOM 0 H TRP B 35 -4.363 -4.989 0.035 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.555 -6.031 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.024 -5.126 0.369 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.838 -6.523 1.045 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.429 -8.690 1.258 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.840 -9.519 0.369 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.328 -4.801 -1.812 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.891 -8.532 -1.400 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.785 -4.756 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.395 -6.606 -2.872 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.449 -8.225 -0.381 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.933 -9.644 -0.434 1.00 0.00 C ATOM 1508 C ASP B 36 -5.851 -9.853 -1.633 1.00 0.00 C ATOM 1509 O ASP B 36 -5.778 -10.871 -2.301 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.710 -9.865 0.875 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.539 -11.313 1.335 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.332 -12.145 0.921 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -4.617 -11.569 2.096 1.00 0.00 O ATOM 0 H ASP B 36 -4.854 -7.667 0.371 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.105 -10.345 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.347 -9.183 1.644 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.766 -9.643 0.724 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.724 -8.901 -1.899 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.662 -9.040 -3.038 1.00 0.00 C ATOM 1520 C ASP B 37 -7.668 -7.765 -3.905 1.00 0.00 C ATOM 1521 O ASP B 37 -8.636 -7.015 -3.895 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.037 -9.299 -2.397 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.063 -10.694 -1.758 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.294 -11.652 -2.479 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.847 -10.780 -0.558 1.00 0.00 O ATOM 0 H ASP B 37 -6.817 -8.036 -1.367 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.377 -9.851 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.245 -8.540 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.820 -9.221 -3.151 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.598 -7.575 -4.671 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.513 -6.403 -5.595 1.00 0.00 C ATOM 1532 C PRO B 38 -7.538 -6.498 -6.750 1.00 0.00 C ATOM 1533 O PRO B 38 -7.655 -5.575 -7.531 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.093 -6.459 -6.127 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.699 -7.893 -5.990 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.376 -8.393 -4.747 1.00 0.00 C ATOM 0 HA PRO B 38 -6.743 -5.467 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.045 -6.132 -7.166 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.430 -5.809 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.011 -8.468 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.617 -7.994 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.608 -9.456 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.748 -8.260 -3.866 1.00 0.00 H new ATOM 1544 N SER B 39 -8.310 -7.579 -6.846 1.00 0.00 N ATOM 1545 CA SER B 39 -9.363 -7.665 -7.918 1.00 0.00 C ATOM 1546 C SER B 39 -10.339 -6.491 -7.720 1.00 0.00 C ATOM 1547 O SER B 39 -10.816 -5.895 -8.669 1.00 0.00 O ATOM 1548 CB SER B 39 -10.078 -9.003 -7.695 1.00 0.00 C ATOM 1549 OG SER B 39 -10.338 -9.615 -8.953 1.00 0.00 O ATOM 0 H SER B 39 -8.251 -8.391 -6.232 1.00 0.00 H new ATOM 0 HA SER B 39 -8.953 -7.611 -8.927 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.462 -9.659 -7.079 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.012 -8.844 -7.156 1.00 0.00 H new ATOM 0 HG SER B 39 -10.793 -10.471 -8.812 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.584 -6.133 -6.463 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.470 -4.965 -6.133 1.00 0.00 C ATOM 1557 C GLN B 40 -10.622 -3.674 -5.999 1.00 0.00 C ATOM 1558 O GLN B 40 -11.061 -2.730 -5.388 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.111 -5.268 -4.761 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.543 -6.732 -4.647 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.707 -6.862 -3.655 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.697 -7.499 -3.950 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.630 -6.284 -2.486 1.00 0.00 N ATOM 0 H GLN B 40 -10.199 -6.612 -5.649 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.216 -4.819 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.400 -5.036 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.976 -4.621 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.844 -7.108 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.703 -7.343 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.799 -5.748 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.401 -6.369 -1.823 1.00 0.00 H new ATOM 1572 N SER B 41 -9.406 -3.641 -6.536 1.00 0.00 N ATOM 1573 CA SER B 41 -8.514 -2.423 -6.410 1.00 0.00 C ATOM 1574 C SER B 41 -9.222 -1.148 -6.894 1.00 0.00 C ATOM 1575 O SER B 41 -9.137 -0.123 -6.246 1.00 0.00 O ATOM 1576 CB SER B 41 -7.315 -2.737 -7.284 1.00 0.00 C ATOM 1577 OG SER B 41 -6.403 -1.652 -7.279 1.00 0.00 O ATOM 0 H SER B 41 -8.993 -4.413 -7.059 1.00 0.00 H new ATOM 0 HA SER B 41 -8.238 -2.230 -5.373 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.820 -3.638 -6.923 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.643 -2.940 -8.303 1.00 0.00 H new ATOM 0 HG SER B 41 -6.165 -1.421 -8.201 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.949 -1.212 -8.001 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.703 -0.003 -8.485 1.00 0.00 C ATOM 1585 C ALA B 42 -11.774 0.346 -7.436 1.00 0.00 C ATOM 1586 O ALA B 42 -11.924 1.491 -7.052 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.349 -0.411 -9.815 1.00 0.00 C ATOM 0 H ALA B 42 -10.049 -2.044 -8.582 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.065 0.870 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.914 0.430 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.572 -0.700 -10.523 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.021 -1.253 -9.650 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.474 -0.665 -6.939 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.499 -0.455 -5.871 1.00 0.00 C ATOM 1595 C ASN B 43 -12.819 0.025 -4.569 1.00 0.00 C ATOM 1596 O ASN B 43 -13.400 0.779 -3.824 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.167 -1.825 -5.661 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.365 -1.678 -4.713 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.281 -2.036 -3.556 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.485 -1.170 -5.156 1.00 0.00 N ATOM 0 H ASN B 43 -12.369 -1.634 -7.239 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.229 0.305 -6.150 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.496 -2.230 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.448 -2.531 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.285 -1.075 -4.530 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.559 -0.868 -6.128 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.589 -0.409 -4.307 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.852 0.024 -3.065 1.00 0.00 C ATOM 1609 C LEU B 44 -10.438 1.484 -3.194 1.00 0.00 C ATOM 1610 O LEU B 44 -10.688 2.294 -2.325 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.629 -0.892 -3.008 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.012 -2.166 -2.269 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.290 -3.375 -2.881 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.627 -1.984 -0.803 1.00 0.00 C ATOM 0 H LEU B 44 -11.068 -1.048 -4.908 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.457 -0.051 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.285 -1.127 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.805 -0.392 -2.499 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.083 -2.352 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.574 -4.279 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.571 -3.474 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.212 -3.231 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.889 -2.882 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.554 -1.810 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.163 -1.130 -0.389 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.849 1.803 -4.314 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.432 3.203 -4.642 1.00 0.00 C ATOM 1628 C LEU B 45 -10.670 4.110 -4.525 1.00 0.00 C ATOM 1629 O LEU B 45 -10.617 5.185 -3.950 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.942 3.101 -6.108 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.289 4.397 -6.611 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -9.359 5.322 -7.191 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.541 5.098 -5.478 1.00 0.00 C ATOM 0 H LEU B 45 -9.630 1.126 -5.045 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.663 3.616 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.226 2.283 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.786 2.852 -6.751 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.570 4.148 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.892 6.240 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -9.859 4.824 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -10.090 5.562 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.085 6.014 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.239 5.343 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.764 4.438 -5.092 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.797 3.632 -5.028 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.083 4.387 -4.927 1.00 0.00 C ATOM 1647 C ALA B 46 -13.551 4.406 -3.466 1.00 0.00 C ATOM 1648 O ALA B 46 -13.928 5.436 -2.962 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.067 3.594 -5.779 1.00 0.00 C ATOM 0 H ALA B 46 -11.871 2.736 -5.510 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.991 5.421 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.041 4.082 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.705 3.549 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.160 2.583 -5.382 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.510 3.264 -2.792 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.933 3.184 -1.351 1.00 0.00 C ATOM 1657 C GLU B 47 -13.109 4.157 -0.503 1.00 0.00 C ATOM 1658 O GLU B 47 -13.616 4.766 0.409 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.657 1.730 -0.906 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.257 1.489 0.491 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.769 1.755 0.474 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.493 0.950 -0.090 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.177 2.769 1.024 1.00 0.00 O ATOM 0 H GLU B 47 -13.197 2.378 -3.190 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.983 3.449 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.090 1.032 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.583 1.543 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.065 0.463 0.805 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.774 2.141 1.219 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.846 4.307 -0.830 1.00 0.00 N ATOM 1671 CA ALA B 48 -10.951 5.246 -0.088 1.00 0.00 C ATOM 1672 C ALA B 48 -11.444 6.685 -0.294 1.00 0.00 C ATOM 1673 O ALA B 48 -11.677 7.405 0.660 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.555 5.039 -0.709 1.00 0.00 C ATOM 0 H ALA B 48 -11.392 3.807 -1.595 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.936 5.064 0.987 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.837 5.695 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.248 4.001 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.592 5.274 -1.773 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.636 7.087 -1.538 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.142 8.475 -1.844 1.00 0.00 C ATOM 1682 C LYS B 49 -13.581 8.654 -1.319 1.00 0.00 C ATOM 1683 O LYS B 49 -13.896 9.650 -0.706 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.101 8.595 -3.376 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.648 8.487 -3.864 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.590 8.647 -5.387 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.209 8.208 -5.903 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.256 9.298 -5.520 1.00 0.00 N ATOM 0 H LYS B 49 -11.462 6.508 -2.360 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.537 9.244 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.706 7.810 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.530 9.547 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.038 9.254 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.230 7.522 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.371 8.048 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.778 9.685 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.912 7.257 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.224 8.066 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.370 9.187 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.679 10.222 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.057 9.243 -4.501 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.445 7.682 -1.544 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.870 7.763 -1.049 1.00 0.00 C ATOM 1704 C LYS B 50 -15.908 7.846 0.486 1.00 0.00 C ATOM 1705 O LYS B 50 -16.662 8.620 1.049 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.542 6.455 -1.502 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.816 6.479 -3.012 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.012 5.045 -3.532 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.236 4.390 -2.865 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.684 3.337 -1.952 1.00 0.00 N ATOM 0 H LYS B 50 -14.223 6.827 -2.054 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.372 8.648 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.901 5.608 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.477 6.314 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.705 7.075 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.985 6.954 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.145 5.059 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.120 4.453 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.819 5.124 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.901 3.953 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.467 2.797 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.072 2.694 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.130 3.788 -1.196 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.094 7.048 1.153 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.058 7.050 2.653 1.00 0.00 C ATOM 1726 C LEU B 51 -14.521 8.393 3.194 1.00 0.00 C ATOM 1727 O LEU B 51 -15.006 8.881 4.201 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.149 5.868 3.037 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.335 5.521 4.521 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.750 4.134 4.804 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.667 6.572 5.408 1.00 0.00 C ATOM 0 H LEU B 51 -14.449 6.391 0.714 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.052 6.941 3.088 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.386 5.001 2.420 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.107 6.122 2.843 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.401 5.512 4.750 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.884 3.891 5.858 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.262 3.391 4.192 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.687 4.131 4.563 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.810 6.308 6.456 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.601 6.611 5.186 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.113 7.548 5.215 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.547 9.001 2.529 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.001 10.330 2.999 1.00 0.00 C ATOM 1745 C ASN B 52 -14.149 11.364 3.118 1.00 0.00 C ATOM 1746 O ASN B 52 -14.115 12.241 3.960 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.925 10.709 1.936 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.328 11.848 0.960 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.437 11.938 0.491 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.427 12.707 0.596 1.00 0.00 N ATOM 0 H ASN B 52 -13.110 8.633 1.684 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.554 10.296 3.993 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.013 11.004 2.455 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.686 9.820 1.352 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.662 13.440 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.484 12.650 0.979 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.164 11.239 2.277 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.324 12.180 2.305 1.00 0.00 C ATOM 1759 C ASP B 53 -17.140 12.036 3.602 1.00 0.00 C ATOM 1760 O ASP B 53 -17.754 12.990 4.050 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.192 11.781 1.108 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.166 12.916 0.770 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.768 13.823 0.058 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.296 12.857 1.229 1.00 0.00 O ATOM 0 H ASP B 53 -15.229 10.511 1.566 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.987 13.216 2.260 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.561 11.563 0.246 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.746 10.870 1.336 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.164 10.849 4.192 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.956 10.632 5.450 1.00 0.00 C ATOM 1771 C ALA B 54 -17.403 11.483 6.608 1.00 0.00 C ATOM 1772 O ALA B 54 -18.148 11.927 7.463 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.809 9.138 5.741 1.00 0.00 C ATOM 0 H ALA B 54 -16.667 10.026 3.851 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.999 10.929 5.339 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.359 8.888 6.648 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.208 8.564 4.905 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.755 8.896 5.877 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.108 11.718 6.623 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.477 12.546 7.701 1.00 0.00 C ATOM 1781 C GLN B 55 -15.382 14.019 7.265 1.00 0.00 C ATOM 1782 O GLN B 55 -15.597 14.916 8.061 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.088 11.930 7.872 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.211 10.586 8.597 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.876 9.861 8.511 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.300 9.491 9.514 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.355 9.648 7.338 1.00 0.00 N ATOM 0 H GLN B 55 -15.455 11.365 5.923 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.049 12.544 8.629 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.619 11.788 6.898 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.447 12.604 8.440 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.489 10.743 9.639 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.998 9.983 8.144 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.843 9.961 6.499 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.459 9.168 7.258 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.046 14.262 6.011 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.914 15.668 5.501 1.00 0.00 C ATOM 1798 C ALA B 56 -15.426 15.775 4.054 1.00 0.00 C ATOM 1799 O ALA B 56 -15.401 14.803 3.333 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.415 15.933 5.540 1.00 0.00 C ATOM 0 H ALA B 56 -14.857 13.538 5.317 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.492 16.379 6.091 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.215 16.943 5.183 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.054 15.831 6.563 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.902 15.214 4.901 1.00 0.00 H new ATOM 1806 N PRO B 57 -15.858 16.962 3.661 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.362 17.172 2.272 1.00 0.00 C ATOM 1808 C PRO B 57 -15.195 17.149 1.266 1.00 0.00 C ATOM 1809 O PRO B 57 -14.099 17.598 1.566 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.012 18.551 2.325 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.327 19.255 3.450 1.00 0.00 C ATOM 1812 CD PRO B 57 -15.915 18.205 4.449 1.00 0.00 C ATOM 0 HA PRO B 57 -17.056 16.396 1.948 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -16.880 19.087 1.385 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.085 18.476 2.501 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -15.457 19.803 3.088 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -16.994 19.984 3.911 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -14.949 18.438 4.896 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -16.634 18.127 5.265 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.431 16.638 0.077 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.345 16.584 -0.968 1.00 0.00 C ATOM 1822 C LYS B 58 -14.084 17.986 -1.548 1.00 0.00 C ATOM 1823 O LYS B 58 -12.933 18.389 -1.556 1.00 0.00 O ATOM 1824 CB LYS B 58 -14.855 15.631 -2.062 1.00 0.00 C ATOM 1825 CG LYS B 58 -14.859 14.188 -1.543 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.312 13.248 -2.664 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.489 11.826 -2.110 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.943 11.512 -2.246 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.033 18.632 -1.971 1.00 0.00 O ATOM 0 H LYS B 58 -16.329 16.255 -0.218 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.403 16.235 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -15.861 15.919 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.221 15.706 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -13.862 13.910 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.527 14.099 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.251 13.602 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.577 13.246 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.881 11.112 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.173 11.770 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.157 10.632 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.505 12.290 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.180 11.395 -3.252 1.00 0.00 H new TER 1843 LYS B 58