USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1197 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: A 17 HIS : no HE2:sc= 0.845 K(o=2.8,f=-1.5!) USER MOD Set 1.2: A 27 HIS : no HE2:sc= 0.509 K(o=2.8,f=-6.9!) USER MOD Set 1.3: B 89 LYS NZ :NH3+ -178:sc= 1.47 (180deg=0.139) USER MOD Set 2.1: A 75 THR OG1 : rot 78:sc= 0.911 USER MOD Set 2.2: B 75 THR OG1 : rot 77:sc= 0.941 USER MOD Set 3.1: B 31 LYS NZ :NH3+ 154:sc= 0.71 (180deg=-0.157) USER MOD Set 3.2: B 57 MET CE :methyl 163:sc= -0.0174 (180deg=-0.28) USER MOD Set 4.1: A 71 GLN : amide:sc= 0.546 K(o=0.55,f=-0.58) USER MOD Set 4.2: B 82 MET CE :methyl 176:sc= 0 (180deg=-0.0136) USER MOD Set 5.1: A 63 ASN : amide:sc= -0.629 K(o=0.7,f=-11!) USER MOD Set 5.2: A 69 ASN : amide:sc= 1.33 K(o=0.7,f=-4.4!) USER MOD Set 6.1: A 30 SER OG : rot 22:sc= 1.99 USER MOD Set 6.2: A 66 GLN : amide:sc= 0.958 K(o=2.9,f=0.85) USER MOD Single : A 3 SER OG : rot 8:sc= 0.754 USER MOD Single : A 7 GLN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -154:sc= 1.1 USER MOD Single : A 20 SER OG : rot -96:sc= 1.02 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.21) USER MOD Single : A 39 GLN : amide:sc= 0.903 K(o=0.9,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0.838 (180deg=0.594) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc=-0.00114 (180deg=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0.617 (180deg=0.614) USER MOD Single : A 73 TYR OH : rot 157:sc= 1.11 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -172:sc= 1.24 USER MOD Single : A 85 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 3 SER OG : rot 18:sc= 0.831 USER MOD Single : B 7 GLN : amide:sc= 0.392 K(o=0.39,f=-1.4) USER MOD Single : B 17 HIS : no HE2:sc= -0.124 X(o=-0.12,f=-0.52) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 32:sc= 1.2 USER MOD Single : B 20 SER OG : rot -97:sc= 1.24 USER MOD Single : B 27 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.013) USER MOD Single : B 28 THR OG1 : rot 93:sc= 1.1 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -167:sc= 0.991 (180deg=0.696) USER MOD Single : B 39 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.8) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ 163:sc= 0.639 (180deg=0.473) USER MOD Single : B 69 ASN : amide:sc= 0.244 K(o=0.24,f=-2.9!) USER MOD Single : B 71 GLN : amide:sc= 0.921 K(o=0.92,f=-0.47) USER MOD Single : B 73 TYR OH : rot 161:sc= 1.21 USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.4 K(o=0.4,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -9.837 -3.105 -5.953 1.00 0.00 N ATOM 31 CA SER A 3 -8.604 -3.459 -6.633 1.00 0.00 C ATOM 32 C SER A 3 -7.421 -2.521 -6.354 1.00 0.00 C ATOM 33 O SER A 3 -6.329 -3.026 -6.081 1.00 0.00 O ATOM 34 CB SER A 3 -8.894 -3.620 -8.134 1.00 0.00 C ATOM 35 OG SER A 3 -10.262 -3.954 -8.311 1.00 0.00 O ATOM 0 HA SER A 3 -8.265 -4.409 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.661 -2.696 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.259 -4.398 -8.558 1.00 0.00 H new ATOM 0 HG SER A 3 -10.731 -3.876 -7.454 1.00 0.00 H new ATOM 41 N PRO A 4 -7.582 -1.187 -6.444 1.00 0.00 N ATOM 42 CA PRO A 4 -6.515 -0.238 -6.171 1.00 0.00 C ATOM 43 C PRO A 4 -5.957 -0.399 -4.756 1.00 0.00 C ATOM 44 O PRO A 4 -4.744 -0.424 -4.568 1.00 0.00 O ATOM 45 CB PRO A 4 -7.114 1.157 -6.387 1.00 0.00 C ATOM 46 CG PRO A 4 -8.289 0.893 -7.326 1.00 0.00 C ATOM 47 CD PRO A 4 -8.783 -0.457 -6.819 1.00 0.00 C ATOM 0 HA PRO A 4 -5.668 -0.407 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -7.442 1.604 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -6.391 1.841 -6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.055 1.665 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.979 0.851 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.453 -0.337 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.341 -0.987 -7.591 1.00 0.00 H new ATOM 55 N LEU A 5 -6.823 -0.521 -3.745 1.00 0.00 N ATOM 56 CA LEU A 5 -6.327 -0.704 -2.391 1.00 0.00 C ATOM 57 C LEU A 5 -5.757 -2.110 -2.254 1.00 0.00 C ATOM 58 O LEU A 5 -4.663 -2.280 -1.720 1.00 0.00 O ATOM 59 CB LEU A 5 -7.410 -0.427 -1.345 1.00 0.00 C ATOM 60 CG LEU A 5 -6.868 -0.600 0.087 1.00 0.00 C ATOM 61 CD1 LEU A 5 -5.626 0.250 0.380 1.00 0.00 C ATOM 62 CD2 LEU A 5 -7.928 -0.190 1.103 1.00 0.00 C ATOM 0 H LEU A 5 -7.838 -0.497 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.534 0.020 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.789 0.587 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.250 -1.103 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.601 -1.654 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.300 0.077 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.826 -0.027 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.868 1.305 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.534 -0.316 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.197 0.855 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.812 -0.815 0.978 1.00 0.00 H new ATOM 74 N ASP A 6 -6.495 -3.113 -2.739 1.00 0.00 N ATOM 75 CA ASP A 6 -6.109 -4.514 -2.612 1.00 0.00 C ATOM 76 C ASP A 6 -4.678 -4.723 -3.101 1.00 0.00 C ATOM 77 O ASP A 6 -3.863 -5.300 -2.386 1.00 0.00 O ATOM 78 CB ASP A 6 -7.060 -5.430 -3.393 1.00 0.00 C ATOM 79 CG ASP A 6 -8.512 -5.362 -2.934 1.00 0.00 C ATOM 80 OD1 ASP A 6 -8.740 -5.006 -1.757 1.00 0.00 O ATOM 81 OD2 ASP A 6 -9.375 -5.677 -3.781 1.00 0.00 O ATOM 0 H ASP A 6 -7.377 -2.972 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.170 -4.775 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.012 -5.168 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.710 -6.459 -3.304 1.00 0.00 H new ATOM 86 N GLN A 7 -4.360 -4.245 -4.307 1.00 0.00 N ATOM 87 CA GLN A 7 -3.009 -4.388 -4.831 1.00 0.00 C ATOM 88 C GLN A 7 -1.992 -3.642 -3.962 1.00 0.00 C ATOM 89 O GLN A 7 -0.885 -4.132 -3.765 1.00 0.00 O ATOM 90 CB GLN A 7 -2.943 -3.986 -6.310 1.00 0.00 C ATOM 91 CG GLN A 7 -3.145 -2.484 -6.541 1.00 0.00 C ATOM 92 CD GLN A 7 -3.498 -2.198 -7.993 1.00 0.00 C ATOM 93 OE1 GLN A 7 -2.690 -1.691 -8.761 1.00 0.00 O ATOM 94 NE2 GLN A 7 -4.726 -2.534 -8.375 1.00 0.00 N ATOM 0 H GLN A 7 -5.012 -3.764 -4.927 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.734 -5.442 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.976 -4.282 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.704 -4.537 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.939 -2.116 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.237 -1.946 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.371 -2.954 -7.706 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.023 -2.371 -9.337 1.00 0.00 H new ATOM 103 N ALA A 8 -2.350 -2.473 -3.421 1.00 0.00 N ATOM 104 CA ALA A 8 -1.443 -1.718 -2.571 1.00 0.00 C ATOM 105 C ALA A 8 -1.141 -2.465 -1.270 1.00 0.00 C ATOM 106 O ALA A 8 0.027 -2.683 -0.955 1.00 0.00 O ATOM 107 CB ALA A 8 -1.986 -0.321 -2.308 1.00 0.00 C ATOM 0 H ALA A 8 -3.261 -2.035 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.497 -1.610 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.291 0.225 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.103 0.208 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.953 -0.394 -1.811 1.00 0.00 H new ATOM 113 N ILE A 9 -2.167 -2.885 -0.517 1.00 0.00 N ATOM 114 CA ILE A 9 -1.927 -3.694 0.679 1.00 0.00 C ATOM 115 C ILE A 9 -1.150 -4.959 0.274 1.00 0.00 C ATOM 116 O ILE A 9 -0.137 -5.304 0.885 1.00 0.00 O ATOM 117 CB ILE A 9 -3.215 -3.944 1.502 1.00 0.00 C ATOM 118 CG1 ILE A 9 -4.309 -4.734 0.770 1.00 0.00 C ATOM 119 CG2 ILE A 9 -3.742 -2.603 2.031 1.00 0.00 C ATOM 120 CD1 ILE A 9 -5.523 -5.042 1.658 1.00 0.00 C ATOM 0 H ILE A 9 -3.148 -2.683 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.300 -3.144 1.380 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.935 -4.594 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.638 -4.167 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.889 -5.670 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.649 -2.772 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.986 -2.140 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.966 -1.944 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.261 -5.602 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.205 -5.634 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.966 -4.109 2.006 1.00 0.00 H new ATOM 132 N GLY A 10 -1.574 -5.584 -0.830 1.00 0.00 N ATOM 133 CA GLY A 10 -0.884 -6.675 -1.496 1.00 0.00 C ATOM 134 C GLY A 10 0.609 -6.404 -1.677 1.00 0.00 C ATOM 135 O GLY A 10 1.422 -7.287 -1.431 1.00 0.00 O ATOM 0 H GLY A 10 -2.444 -5.327 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.016 -7.590 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.339 -6.846 -2.472 1.00 0.00 H new ATOM 139 N LEU A 11 0.984 -5.195 -2.101 1.00 0.00 N ATOM 140 CA LEU A 11 2.369 -4.804 -2.318 1.00 0.00 C ATOM 141 C LEU A 11 3.158 -4.949 -1.014 1.00 0.00 C ATOM 142 O LEU A 11 4.116 -5.717 -0.952 1.00 0.00 O ATOM 143 CB LEU A 11 2.410 -3.366 -2.866 1.00 0.00 C ATOM 144 CG LEU A 11 3.692 -2.947 -3.600 1.00 0.00 C ATOM 145 CD1 LEU A 11 4.969 -3.196 -2.801 1.00 0.00 C ATOM 146 CD2 LEU A 11 3.779 -3.565 -4.997 1.00 0.00 C ATOM 0 H LEU A 11 0.317 -4.450 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 11 2.837 -5.456 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.569 -3.237 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.254 -2.680 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 11 3.617 -1.866 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.832 -2.875 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.931 -2.632 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.057 -4.259 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.701 -3.242 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.773 -4.652 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.925 -3.241 -5.592 1.00 0.00 H new ATOM 158 N LEU A 12 2.751 -4.223 0.033 1.00 0.00 N ATOM 159 CA LEU A 12 3.401 -4.267 1.340 1.00 0.00 C ATOM 160 C LEU A 12 3.525 -5.712 1.818 1.00 0.00 C ATOM 161 O LEU A 12 4.584 -6.126 2.301 1.00 0.00 O ATOM 162 CB LEU A 12 2.587 -3.464 2.373 1.00 0.00 C ATOM 163 CG LEU A 12 2.799 -1.942 2.330 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.299 -1.291 1.037 1.00 0.00 C ATOM 165 CD2 LEU A 12 2.071 -1.285 3.508 1.00 0.00 C ATOM 0 H LEU A 12 1.956 -3.585 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 12 4.394 -3.827 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.528 -3.672 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.841 -3.823 3.371 1.00 0.00 H new ATOM 0 HG LEU A 12 3.876 -1.786 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.481 -0.217 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.830 -1.718 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.230 -1.474 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.224 -0.206 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.005 -1.503 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.466 -1.678 4.445 1.00 0.00 H new ATOM 177 N ILE A 13 2.430 -6.463 1.698 1.00 0.00 N ATOM 178 CA ILE A 13 2.367 -7.848 2.130 1.00 0.00 C ATOM 179 C ILE A 13 3.379 -8.684 1.346 1.00 0.00 C ATOM 180 O ILE A 13 4.159 -9.420 1.945 1.00 0.00 O ATOM 181 CB ILE A 13 0.925 -8.362 1.971 1.00 0.00 C ATOM 182 CG1 ILE A 13 -0.017 -7.632 2.943 1.00 0.00 C ATOM 183 CG2 ILE A 13 0.834 -9.867 2.235 1.00 0.00 C ATOM 184 CD1 ILE A 13 -1.483 -7.737 2.515 1.00 0.00 C ATOM 0 H ILE A 13 1.559 -6.119 1.295 1.00 0.00 H new ATOM 0 HA ILE A 13 2.634 -7.932 3.183 1.00 0.00 H new ATOM 0 HB ILE A 13 0.625 -8.164 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.099 -8.051 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.268 -6.582 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.198 -10.196 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.470 -10.400 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.165 -10.079 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.110 -7.207 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.606 -7.294 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.778 -8.786 2.481 1.00 0.00 H new ATOM 196 N GLY A 14 3.372 -8.567 0.020 1.00 0.00 N ATOM 197 CA GLY A 14 4.254 -9.291 -0.873 1.00 0.00 C ATOM 198 C GLY A 14 5.709 -8.995 -0.536 1.00 0.00 C ATOM 199 O GLY A 14 6.485 -9.918 -0.294 1.00 0.00 O ATOM 0 H GLY A 14 2.730 -7.945 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.066 -10.362 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.048 -9.009 -1.906 1.00 0.00 H new ATOM 203 N ILE A 15 6.069 -7.705 -0.495 1.00 0.00 N ATOM 204 CA ILE A 15 7.408 -7.273 -0.123 1.00 0.00 C ATOM 205 C ILE A 15 7.799 -7.956 1.186 1.00 0.00 C ATOM 206 O ILE A 15 8.833 -8.616 1.255 1.00 0.00 O ATOM 207 CB ILE A 15 7.486 -5.729 -0.090 1.00 0.00 C ATOM 208 CG1 ILE A 15 7.861 -5.237 -1.501 1.00 0.00 C ATOM 209 CG2 ILE A 15 8.487 -5.212 0.951 1.00 0.00 C ATOM 210 CD1 ILE A 15 7.968 -3.713 -1.619 1.00 0.00 C ATOM 0 H ILE A 15 5.435 -6.938 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 15 8.143 -7.578 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 15 6.514 -5.336 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.814 -5.682 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.115 -5.595 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.502 -4.122 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.190 -5.553 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.482 -5.592 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.235 -3.445 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.010 -3.260 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.735 -3.348 -0.936 1.00 0.00 H new ATOM 222 N PHE A 16 6.956 -7.843 2.211 1.00 0.00 N ATOM 223 CA PHE A 16 7.243 -8.456 3.494 1.00 0.00 C ATOM 224 C PHE A 16 7.508 -9.958 3.347 1.00 0.00 C ATOM 225 O PHE A 16 8.589 -10.445 3.676 1.00 0.00 O ATOM 226 CB PHE A 16 6.079 -8.172 4.442 1.00 0.00 C ATOM 227 CG PHE A 16 6.319 -8.605 5.866 1.00 0.00 C ATOM 228 CD1 PHE A 16 6.043 -9.924 6.254 1.00 0.00 C ATOM 229 CD2 PHE A 16 6.816 -7.689 6.807 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.135 -10.289 7.602 1.00 0.00 C ATOM 231 CE2 PHE A 16 6.893 -8.046 8.162 1.00 0.00 C ATOM 232 CZ PHE A 16 6.509 -9.335 8.562 1.00 0.00 C ATOM 0 H PHE A 16 6.073 -7.333 2.172 1.00 0.00 H new ATOM 0 HA PHE A 16 8.154 -8.026 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.869 -7.103 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.188 -8.676 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.760 -10.657 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.139 -6.709 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.919 -11.303 7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.246 -7.333 8.892 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.501 -9.594 9.610 1.00 0.00 H new ATOM 242 N HIS A 17 6.516 -10.696 2.846 1.00 0.00 N ATOM 243 CA HIS A 17 6.546 -12.150 2.858 1.00 0.00 C ATOM 244 C HIS A 17 7.635 -12.720 1.955 1.00 0.00 C ATOM 245 O HIS A 17 8.136 -13.803 2.247 1.00 0.00 O ATOM 246 CB HIS A 17 5.156 -12.733 2.588 1.00 0.00 C ATOM 247 CG HIS A 17 4.224 -12.451 3.739 1.00 0.00 C ATOM 248 ND1 HIS A 17 3.582 -11.258 3.956 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.133 -13.179 4.897 1.00 0.00 C ATOM 250 CE1 HIS A 17 3.114 -11.265 5.213 1.00 0.00 C ATOM 251 NE2 HIS A 17 3.426 -12.415 5.831 1.00 0.00 N ATOM 0 H HIS A 17 5.676 -10.300 2.424 1.00 0.00 H new ATOM 0 HA HIS A 17 6.823 -12.467 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.749 -12.305 1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.232 -13.809 2.431 1.00 0.00 H new ATOM 0 HD1 HIS A 17 3.479 -10.500 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.536 -14.168 5.059 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.561 -10.455 5.666 1.00 0.00 H new ATOM 259 N LYS A 18 8.049 -12.004 0.905 1.00 0.00 N ATOM 260 CA LYS A 18 9.239 -12.393 0.154 1.00 0.00 C ATOM 261 C LYS A 18 10.429 -12.500 1.114 1.00 0.00 C ATOM 262 O LYS A 18 11.087 -13.538 1.203 1.00 0.00 O ATOM 263 CB LYS A 18 9.533 -11.363 -0.947 1.00 0.00 C ATOM 264 CG LYS A 18 8.581 -11.504 -2.140 1.00 0.00 C ATOM 265 CD LYS A 18 8.578 -10.244 -3.020 1.00 0.00 C ATOM 266 CE LYS A 18 9.980 -9.853 -3.503 1.00 0.00 C ATOM 267 NZ LYS A 18 9.933 -8.678 -4.392 1.00 0.00 N ATOM 0 H LYS A 18 7.583 -11.164 0.562 1.00 0.00 H new ATOM 0 HA LYS A 18 9.069 -13.360 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.449 -10.358 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.561 -11.482 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.875 -12.365 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.571 -11.697 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.935 -10.411 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.148 -9.415 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.615 -9.636 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.432 -10.693 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.896 -8.438 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.346 -8.894 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.523 -7.871 -3.879 1.00 0.00 H new ATOM 281 N TYR A 19 10.705 -11.418 1.844 1.00 0.00 N ATOM 282 CA TYR A 19 11.847 -11.364 2.740 1.00 0.00 C ATOM 283 C TYR A 19 11.675 -12.313 3.928 1.00 0.00 C ATOM 284 O TYR A 19 12.637 -12.975 4.309 1.00 0.00 O ATOM 285 CB TYR A 19 12.144 -9.914 3.133 1.00 0.00 C ATOM 286 CG TYR A 19 12.891 -9.173 2.040 1.00 0.00 C ATOM 287 CD1 TYR A 19 14.290 -9.284 1.941 1.00 0.00 C ATOM 288 CD2 TYR A 19 12.179 -8.505 1.031 1.00 0.00 C ATOM 289 CE1 TYR A 19 14.955 -8.801 0.801 1.00 0.00 C ATOM 290 CE2 TYR A 19 12.833 -8.058 -0.125 1.00 0.00 C ATOM 291 CZ TYR A 19 14.217 -8.246 -0.257 1.00 0.00 C ATOM 292 OH TYR A 19 14.844 -7.904 -1.414 1.00 0.00 O ATOM 0 H TYR A 19 10.145 -10.565 1.827 1.00 0.00 H new ATOM 0 HA TYR A 19 12.732 -11.728 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 19 11.209 -9.397 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 19 12.734 -9.900 4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.853 -9.741 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.119 -8.334 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.032 -8.857 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.274 -7.571 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 19 14.340 -7.193 -1.862 1.00 0.00 H new ATOM 302 N SER A 20 10.472 -12.438 4.495 1.00 0.00 N ATOM 303 CA SER A 20 10.224 -13.446 5.522 1.00 0.00 C ATOM 304 C SER A 20 10.552 -14.838 4.978 1.00 0.00 C ATOM 305 O SER A 20 11.352 -15.569 5.563 1.00 0.00 O ATOM 306 CB SER A 20 8.775 -13.361 6.005 1.00 0.00 C ATOM 307 OG SER A 20 8.457 -12.027 6.337 1.00 0.00 O ATOM 0 H SER A 20 9.665 -11.860 4.262 1.00 0.00 H new ATOM 0 HA SER A 20 10.872 -13.257 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.102 -13.722 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.634 -14.005 6.873 1.00 0.00 H new ATOM 0 HG SER A 20 8.568 -11.895 7.302 1.00 0.00 H new ATOM 313 N GLY A 21 9.967 -15.179 3.827 1.00 0.00 N ATOM 314 CA GLY A 21 10.190 -16.433 3.129 1.00 0.00 C ATOM 315 C GLY A 21 11.678 -16.702 2.930 1.00 0.00 C ATOM 316 O GLY A 21 12.133 -17.824 3.145 1.00 0.00 O ATOM 0 H GLY A 21 9.307 -14.567 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.743 -17.251 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.691 -16.406 2.160 1.00 0.00 H new ATOM 398 N HIS A 27 4.792 -14.498 9.503 1.00 0.00 N ATOM 399 CA HIS A 27 4.273 -13.135 9.594 1.00 0.00 C ATOM 400 C HIS A 27 5.221 -12.245 10.413 1.00 0.00 C ATOM 401 O HIS A 27 4.789 -11.480 11.279 1.00 0.00 O ATOM 402 CB HIS A 27 2.860 -13.172 10.198 1.00 0.00 C ATOM 403 CG HIS A 27 1.923 -14.186 9.579 1.00 0.00 C ATOM 404 ND1 HIS A 27 0.896 -14.823 10.239 1.00 0.00 N ATOM 405 CD2 HIS A 27 1.972 -14.695 8.306 1.00 0.00 C ATOM 406 CE1 HIS A 27 0.344 -15.699 9.382 1.00 0.00 C ATOM 407 NE2 HIS A 27 0.968 -15.662 8.194 1.00 0.00 N ATOM 0 HA HIS A 27 4.212 -12.699 8.597 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.943 -13.381 11.265 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.414 -12.182 10.101 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.607 -14.660 11.203 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.662 -14.401 7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.489 -16.345 9.617 1.00 0.00 H new ATOM 415 N THR A 28 6.528 -12.353 10.175 1.00 0.00 N ATOM 416 CA THR A 28 7.578 -11.702 10.940 1.00 0.00 C ATOM 417 C THR A 28 8.797 -11.533 10.025 1.00 0.00 C ATOM 418 O THR A 28 8.949 -12.283 9.060 1.00 0.00 O ATOM 419 CB THR A 28 7.841 -12.519 12.220 1.00 0.00 C ATOM 420 OG1 THR A 28 6.680 -12.549 13.031 1.00 0.00 O ATOM 421 CG2 THR A 28 8.965 -11.956 13.088 1.00 0.00 C ATOM 0 H THR A 28 6.894 -12.921 9.411 1.00 0.00 H new ATOM 0 HA THR A 28 7.299 -10.704 11.277 1.00 0.00 H new ATOM 0 HB THR A 28 8.129 -13.510 11.870 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.859 -13.072 13.840 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.092 -12.583 13.970 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.893 -11.941 12.517 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.713 -10.942 13.397 1.00 0.00 H new ATOM 429 N LEU A 29 9.626 -10.519 10.296 1.00 0.00 N ATOM 430 CA LEU A 29 10.929 -10.315 9.670 1.00 0.00 C ATOM 431 C LEU A 29 11.958 -10.142 10.779 1.00 0.00 C ATOM 432 O LEU A 29 11.686 -9.416 11.735 1.00 0.00 O ATOM 433 CB LEU A 29 10.941 -9.020 8.843 1.00 0.00 C ATOM 434 CG LEU A 29 10.217 -9.091 7.495 1.00 0.00 C ATOM 435 CD1 LEU A 29 10.111 -7.676 6.920 1.00 0.00 C ATOM 436 CD2 LEU A 29 10.997 -9.947 6.497 1.00 0.00 C ATOM 0 H LEU A 29 9.398 -9.797 10.979 1.00 0.00 H new ATOM 0 HA LEU A 29 11.147 -11.166 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.489 -8.226 9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.977 -8.733 8.664 1.00 0.00 H new ATOM 0 HG LEU A 29 9.234 -9.533 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.597 -7.711 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.550 -7.044 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.110 -7.264 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.460 -9.980 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.985 -9.514 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.103 -10.958 6.890 1.00 0.00 H new ATOM 448 N SER A 30 13.143 -10.748 10.651 1.00 0.00 N ATOM 449 CA SER A 30 14.242 -10.436 11.556 1.00 0.00 C ATOM 450 C SER A 30 14.907 -9.126 11.128 1.00 0.00 C ATOM 451 O SER A 30 14.908 -8.781 9.948 1.00 0.00 O ATOM 452 CB SER A 30 15.232 -11.596 11.685 1.00 0.00 C ATOM 453 OG SER A 30 16.099 -11.341 12.780 1.00 0.00 O ATOM 0 H SER A 30 13.359 -11.446 9.939 1.00 0.00 H new ATOM 0 HA SER A 30 13.840 -10.294 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.697 -12.533 11.838 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.808 -11.704 10.766 1.00 0.00 H new ATOM 0 HG SER A 30 15.671 -10.710 13.396 1.00 0.00 H new ATOM 459 N LYS A 31 15.466 -8.390 12.091 1.00 0.00 N ATOM 460 CA LYS A 31 15.943 -7.025 11.921 1.00 0.00 C ATOM 461 C LYS A 31 16.876 -6.861 10.717 1.00 0.00 C ATOM 462 O LYS A 31 16.701 -5.962 9.896 1.00 0.00 O ATOM 463 CB LYS A 31 16.561 -6.548 13.240 1.00 0.00 C ATOM 464 CG LYS A 31 17.789 -7.329 13.726 1.00 0.00 C ATOM 465 CD LYS A 31 18.166 -6.821 15.122 1.00 0.00 C ATOM 466 CE LYS A 31 19.378 -7.570 15.678 1.00 0.00 C ATOM 467 NZ LYS A 31 19.645 -7.184 17.074 1.00 0.00 N ATOM 0 H LYS A 31 15.601 -8.743 13.038 1.00 0.00 H new ATOM 0 HA LYS A 31 15.095 -6.382 11.684 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.841 -5.500 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.796 -6.593 14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.571 -8.397 13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.622 -7.194 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.385 -5.754 15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.319 -6.944 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.203 -8.644 15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.254 -7.357 15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.472 -7.707 17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.835 -6.163 17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.817 -7.410 17.661 1.00 0.00 H new ATOM 481 N LYS A 32 17.861 -7.746 10.587 1.00 0.00 N ATOM 482 CA LYS A 32 18.809 -7.664 9.484 1.00 0.00 C ATOM 483 C LYS A 32 18.137 -8.040 8.157 1.00 0.00 C ATOM 484 O LYS A 32 18.483 -7.484 7.117 1.00 0.00 O ATOM 485 CB LYS A 32 20.055 -8.497 9.808 1.00 0.00 C ATOM 486 CG LYS A 32 21.098 -8.449 8.683 1.00 0.00 C ATOM 487 CD LYS A 32 22.368 -9.195 9.103 1.00 0.00 C ATOM 488 CE LYS A 32 23.401 -9.163 7.971 1.00 0.00 C ATOM 489 NZ LYS A 32 24.633 -9.878 8.349 1.00 0.00 N ATOM 0 H LYS A 32 18.022 -8.523 11.228 1.00 0.00 H new ATOM 0 HA LYS A 32 19.146 -6.635 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.503 -8.131 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.762 -9.532 9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.688 -8.897 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.339 -7.413 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.787 -8.738 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.125 -10.227 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.976 -9.616 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.640 -8.129 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.312 -9.839 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.050 -9.430 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.407 -10.871 8.562 1.00 0.00 H new ATOM 503 N GLU A 33 17.159 -8.952 8.176 1.00 0.00 N ATOM 504 CA GLU A 33 16.412 -9.290 6.972 1.00 0.00 C ATOM 505 C GLU A 33 15.579 -8.079 6.545 1.00 0.00 C ATOM 506 O GLU A 33 15.521 -7.743 5.365 1.00 0.00 O ATOM 507 CB GLU A 33 15.544 -10.534 7.210 1.00 0.00 C ATOM 508 CG GLU A 33 14.928 -11.051 5.903 1.00 0.00 C ATOM 509 CD GLU A 33 15.953 -11.730 4.999 1.00 0.00 C ATOM 510 OE1 GLU A 33 16.158 -12.948 5.183 1.00 0.00 O ATOM 511 OE2 GLU A 33 16.522 -11.016 4.146 1.00 0.00 O ATOM 0 H GLU A 33 16.871 -9.464 9.010 1.00 0.00 H new ATOM 0 HA GLU A 33 17.099 -9.535 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.149 -11.319 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.750 -10.295 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.131 -11.757 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 33 14.471 -10.219 5.367 1.00 0.00 H new ATOM 518 N LEU A 34 14.958 -7.395 7.507 1.00 0.00 N ATOM 519 CA LEU A 34 14.311 -6.116 7.262 1.00 0.00 C ATOM 520 C LEU A 34 15.323 -5.143 6.649 1.00 0.00 C ATOM 521 O LEU A 34 15.036 -4.506 5.636 1.00 0.00 O ATOM 522 CB LEU A 34 13.657 -5.606 8.557 1.00 0.00 C ATOM 523 CG LEU A 34 13.096 -4.174 8.524 1.00 0.00 C ATOM 524 CD1 LEU A 34 14.197 -3.098 8.505 1.00 0.00 C ATOM 525 CD2 LEU A 34 12.096 -3.991 7.374 1.00 0.00 C ATOM 0 H LEU A 34 14.892 -7.715 8.473 1.00 0.00 H new ATOM 0 HA LEU A 34 13.503 -6.220 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.845 -6.285 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.394 -5.665 9.358 1.00 0.00 H new ATOM 0 HG LEU A 34 12.555 -4.031 9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.739 -2.109 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.813 -3.192 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.820 -3.230 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.719 -2.968 7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.593 -4.190 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.265 -4.685 7.501 1.00 0.00 H new ATOM 537 N LYS A 35 16.520 -5.015 7.227 1.00 0.00 N ATOM 538 CA LYS A 35 17.517 -4.140 6.627 1.00 0.00 C ATOM 539 C LYS A 35 17.776 -4.547 5.172 1.00 0.00 C ATOM 540 O LYS A 35 17.830 -3.684 4.302 1.00 0.00 O ATOM 541 CB LYS A 35 18.807 -4.084 7.454 1.00 0.00 C ATOM 542 CG LYS A 35 19.631 -2.884 6.971 1.00 0.00 C ATOM 543 CD LYS A 35 20.944 -2.716 7.733 1.00 0.00 C ATOM 544 CE LYS A 35 21.598 -1.407 7.280 1.00 0.00 C ATOM 545 NZ LYS A 35 22.961 -1.270 7.821 1.00 0.00 N ATOM 0 H LYS A 35 16.812 -5.490 8.081 1.00 0.00 H new ATOM 0 HA LYS A 35 17.119 -3.125 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.575 -3.984 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.374 -5.007 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.846 -3.002 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.037 -1.976 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.760 -2.697 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.607 -3.559 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.632 -1.374 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.990 -0.563 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.279 -0.285 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.962 -1.528 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.606 -1.899 7.301 1.00 0.00 H new ATOM 559 N GLU A 36 17.905 -5.847 4.895 1.00 0.00 N ATOM 560 CA GLU A 36 18.061 -6.353 3.537 1.00 0.00 C ATOM 561 C GLU A 36 16.900 -5.894 2.645 1.00 0.00 C ATOM 562 O GLU A 36 17.131 -5.367 1.559 1.00 0.00 O ATOM 563 CB GLU A 36 18.201 -7.881 3.554 1.00 0.00 C ATOM 564 CG GLU A 36 18.859 -8.380 2.262 1.00 0.00 C ATOM 565 CD GLU A 36 18.908 -9.903 2.217 1.00 0.00 C ATOM 566 OE1 GLU A 36 19.643 -10.473 3.053 1.00 0.00 O ATOM 567 OE2 GLU A 36 18.215 -10.465 1.343 1.00 0.00 O ATOM 0 H GLU A 36 17.904 -6.575 5.609 1.00 0.00 H new ATOM 0 HA GLU A 36 18.975 -5.940 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.798 -8.187 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.219 -8.340 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.304 -8.006 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.870 -7.979 2.188 1.00 0.00 H new ATOM 574 N LEU A 37 15.658 -6.073 3.113 1.00 0.00 N ATOM 575 CA LEU A 37 14.454 -5.596 2.439 1.00 0.00 C ATOM 576 C LEU A 37 14.626 -4.134 2.063 1.00 0.00 C ATOM 577 O LEU A 37 14.449 -3.769 0.905 1.00 0.00 O ATOM 578 CB LEU A 37 13.217 -5.854 3.332 1.00 0.00 C ATOM 579 CG LEU A 37 11.847 -5.292 2.898 1.00 0.00 C ATOM 580 CD1 LEU A 37 10.756 -5.971 3.743 1.00 0.00 C ATOM 581 CD2 LEU A 37 11.681 -3.783 3.148 1.00 0.00 C ATOM 0 H LEU A 37 15.463 -6.563 3.986 1.00 0.00 H new ATOM 0 HA LEU A 37 14.292 -6.145 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.110 -6.933 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.437 -5.454 4.322 1.00 0.00 H new ATOM 0 HG LEU A 37 11.771 -5.481 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.778 -5.587 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.787 -7.048 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.929 -5.760 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.692 -3.466 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.790 -3.576 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.443 -3.236 2.592 1.00 0.00 H new ATOM 593 N ILE A 38 14.988 -3.290 3.023 1.00 0.00 N ATOM 594 CA ILE A 38 15.150 -1.875 2.743 1.00 0.00 C ATOM 595 C ILE A 38 16.252 -1.661 1.714 1.00 0.00 C ATOM 596 O ILE A 38 16.007 -1.049 0.681 1.00 0.00 O ATOM 597 CB ILE A 38 15.374 -1.100 4.049 1.00 0.00 C ATOM 598 CG1 ILE A 38 14.066 -1.198 4.848 1.00 0.00 C ATOM 599 CG2 ILE A 38 15.766 0.363 3.795 1.00 0.00 C ATOM 600 CD1 ILE A 38 14.120 -0.415 6.151 1.00 0.00 C ATOM 0 H ILE A 38 15.172 -3.560 3.989 1.00 0.00 H new ATOM 0 HA ILE A 38 14.237 -1.478 2.300 1.00 0.00 H new ATOM 0 HB ILE A 38 16.207 -1.531 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.243 -0.826 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.854 -2.245 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 38 15.914 0.871 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.690 0.397 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 38 14.972 0.861 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.171 -0.518 6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.925 -0.803 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.303 0.638 5.936 1.00 0.00 H new ATOM 612 N GLN A 39 17.457 -2.161 1.980 1.00 0.00 N ATOM 613 CA GLN A 39 18.597 -1.949 1.107 1.00 0.00 C ATOM 614 C GLN A 39 18.288 -2.378 -0.327 1.00 0.00 C ATOM 615 O GLN A 39 18.680 -1.684 -1.264 1.00 0.00 O ATOM 616 CB GLN A 39 19.822 -2.699 1.648 1.00 0.00 C ATOM 617 CG GLN A 39 20.338 -2.142 2.983 1.00 0.00 C ATOM 618 CD GLN A 39 21.158 -0.867 2.819 1.00 0.00 C ATOM 619 OE1 GLN A 39 22.255 -0.900 2.273 1.00 0.00 O ATOM 620 NE2 GLN A 39 20.655 0.260 3.318 1.00 0.00 N ATOM 0 H GLN A 39 17.665 -2.722 2.806 1.00 0.00 H new ATOM 0 HA GLN A 39 18.818 -0.882 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 39 19.567 -3.751 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 39 20.623 -2.652 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 39 19.491 -1.941 3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 39 20.948 -2.899 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 39 19.739 0.255 3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 39 21.186 1.129 3.252 1.00 0.00 H new ATOM 629 N LYS A 40 17.604 -3.512 -0.512 1.00 0.00 N ATOM 630 CA LYS A 40 17.319 -3.995 -1.850 1.00 0.00 C ATOM 631 C LYS A 40 16.143 -3.234 -2.458 1.00 0.00 C ATOM 632 O LYS A 40 16.264 -2.712 -3.565 1.00 0.00 O ATOM 633 CB LYS A 40 17.090 -5.511 -1.833 1.00 0.00 C ATOM 634 CG LYS A 40 16.920 -6.139 -3.231 1.00 0.00 C ATOM 635 CD LYS A 40 18.211 -6.392 -4.032 1.00 0.00 C ATOM 636 CE LYS A 40 18.913 -5.172 -4.649 1.00 0.00 C ATOM 637 NZ LYS A 40 17.973 -4.255 -5.321 1.00 0.00 N ATOM 0 H LYS A 40 17.246 -4.099 0.241 1.00 0.00 H new ATOM 0 HA LYS A 40 18.182 -3.807 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.932 -5.989 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.202 -5.727 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.397 -7.089 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.274 -5.489 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.922 -6.893 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.976 -7.088 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.446 -4.631 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.659 -5.512 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.506 -3.566 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.341 -4.800 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.408 -3.752 -4.607 1.00 0.00 H new ATOM 651 N GLU A 41 14.999 -3.197 -1.770 1.00 0.00 N ATOM 652 CA GLU A 41 13.772 -2.664 -2.341 1.00 0.00 C ATOM 653 C GLU A 41 13.823 -1.140 -2.335 1.00 0.00 C ATOM 654 O GLU A 41 13.618 -0.495 -3.360 1.00 0.00 O ATOM 655 CB GLU A 41 12.541 -3.174 -1.570 1.00 0.00 C ATOM 656 CG GLU A 41 12.469 -4.706 -1.460 1.00 0.00 C ATOM 657 CD GLU A 41 12.466 -5.407 -2.814 1.00 0.00 C ATOM 658 OE1 GLU A 41 11.550 -5.109 -3.611 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.366 -6.253 -3.015 1.00 0.00 O ATOM 0 H GLU A 41 14.903 -3.533 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 41 13.683 -3.010 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.549 -2.747 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.639 -2.812 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.318 -5.062 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.567 -4.982 -0.913 1.00 0.00 H new ATOM 666 N LEU A 42 14.106 -0.547 -1.177 1.00 0.00 N ATOM 667 CA LEU A 42 14.176 0.895 -1.034 1.00 0.00 C ATOM 668 C LEU A 42 15.618 1.288 -1.332 1.00 0.00 C ATOM 669 O LEU A 42 16.354 1.704 -0.441 1.00 0.00 O ATOM 670 CB LEU A 42 13.689 1.326 0.362 1.00 0.00 C ATOM 671 CG LEU A 42 12.375 0.656 0.811 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.890 1.291 2.118 1.00 0.00 C ATOM 673 CD2 LEU A 42 11.256 0.751 -0.232 1.00 0.00 C ATOM 0 H LEU A 42 14.292 -1.058 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 42 13.515 1.413 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 42 14.467 1.099 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.552 2.407 0.368 1.00 0.00 H new ATOM 0 HG LEU A 42 12.601 -0.401 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.961 0.814 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.646 1.155 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.717 2.356 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.361 0.259 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.036 1.799 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.574 0.262 -1.153 1.00 0.00 H new ATOM 794 N ASP A 50 22.535 4.757 5.838 1.00 0.00 N ATOM 795 CA ASP A 50 22.422 3.462 6.498 1.00 0.00 C ATOM 796 C ASP A 50 22.361 3.608 8.020 1.00 0.00 C ATOM 797 O ASP A 50 21.670 2.831 8.672 1.00 0.00 O ATOM 798 CB ASP A 50 23.556 2.511 6.089 1.00 0.00 C ATOM 799 CG ASP A 50 23.428 1.965 4.665 1.00 0.00 C ATOM 800 OD1 ASP A 50 22.443 2.318 3.977 1.00 0.00 O ATOM 801 OD2 ASP A 50 24.315 1.166 4.296 1.00 0.00 O ATOM 0 HA ASP A 50 21.483 3.021 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.507 3.035 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 23.584 1.674 6.787 1.00 0.00 H new ATOM 806 N ALA A 51 23.039 4.610 8.590 1.00 0.00 N ATOM 807 CA ALA A 51 22.904 4.944 10.007 1.00 0.00 C ATOM 808 C ALA A 51 21.432 5.179 10.372 1.00 0.00 C ATOM 809 O ALA A 51 20.908 4.602 11.327 1.00 0.00 O ATOM 810 CB ALA A 51 23.747 6.184 10.318 1.00 0.00 C ATOM 0 H ALA A 51 23.692 5.207 8.083 1.00 0.00 H new ATOM 0 HA ALA A 51 23.264 4.109 10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 51 23.648 6.436 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.793 5.979 10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 51 23.400 7.021 9.712 1.00 0.00 H new ATOM 816 N GLU A 52 20.749 6.006 9.579 1.00 0.00 N ATOM 817 CA GLU A 52 19.334 6.269 9.764 1.00 0.00 C ATOM 818 C GLU A 52 18.557 4.969 9.573 1.00 0.00 C ATOM 819 O GLU A 52 17.658 4.670 10.355 1.00 0.00 O ATOM 820 CB GLU A 52 18.849 7.369 8.806 1.00 0.00 C ATOM 821 CG GLU A 52 19.754 8.611 8.807 1.00 0.00 C ATOM 822 CD GLU A 52 20.009 9.143 10.215 1.00 0.00 C ATOM 823 OE1 GLU A 52 19.033 9.638 10.819 1.00 0.00 O ATOM 824 OE2 GLU A 52 21.171 9.033 10.663 1.00 0.00 O ATOM 0 H GLU A 52 21.166 6.508 8.795 1.00 0.00 H new ATOM 0 HA GLU A 52 19.160 6.635 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.797 6.965 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.837 7.664 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.706 8.364 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.294 9.393 8.204 1.00 0.00 H new ATOM 831 N ILE A 53 18.924 4.178 8.559 1.00 0.00 N ATOM 832 CA ILE A 53 18.301 2.877 8.354 1.00 0.00 C ATOM 833 C ILE A 53 18.430 1.994 9.598 1.00 0.00 C ATOM 834 O ILE A 53 17.447 1.361 9.954 1.00 0.00 O ATOM 835 CB ILE A 53 18.780 2.168 7.075 1.00 0.00 C ATOM 836 CG1 ILE A 53 18.561 3.019 5.810 1.00 0.00 C ATOM 837 CG2 ILE A 53 18.073 0.814 6.912 1.00 0.00 C ATOM 838 CD1 ILE A 53 17.153 3.606 5.675 1.00 0.00 C ATOM 0 H ILE A 53 19.643 4.418 7.876 1.00 0.00 H new ATOM 0 HA ILE A 53 17.239 3.064 8.196 1.00 0.00 H new ATOM 0 HB ILE A 53 19.853 2.013 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 53 19.283 3.836 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 53 18.771 2.405 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.424 0.327 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.296 0.181 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.996 0.971 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.089 4.190 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.423 2.797 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.944 4.250 6.529 1.00 0.00 H new ATOM 850 N VAL A 54 19.583 1.923 10.274 1.00 0.00 N ATOM 851 CA VAL A 54 19.672 1.095 11.479 1.00 0.00 C ATOM 852 C VAL A 54 18.900 1.688 12.663 1.00 0.00 C ATOM 853 O VAL A 54 18.338 0.929 13.450 1.00 0.00 O ATOM 854 CB VAL A 54 21.094 0.633 11.840 1.00 0.00 C ATOM 855 CG1 VAL A 54 21.546 -0.443 10.844 1.00 0.00 C ATOM 856 CG2 VAL A 54 22.122 1.758 11.943 1.00 0.00 C ATOM 0 H VAL A 54 20.441 2.412 10.017 1.00 0.00 H new ATOM 0 HA VAL A 54 19.160 0.169 11.217 1.00 0.00 H new ATOM 0 HB VAL A 54 21.041 0.219 12.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 22.554 -0.773 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.864 -1.292 10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 54 21.542 -0.030 9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.095 1.339 12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 54 22.192 2.276 10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 54 21.814 2.463 12.715 1.00 0.00 H new ATOM 866 N LYS A 55 18.811 3.015 12.795 1.00 0.00 N ATOM 867 CA LYS A 55 17.897 3.588 13.783 1.00 0.00 C ATOM 868 C LYS A 55 16.462 3.127 13.482 1.00 0.00 C ATOM 869 O LYS A 55 15.764 2.588 14.339 1.00 0.00 O ATOM 870 CB LYS A 55 18.027 5.119 13.815 1.00 0.00 C ATOM 871 CG LYS A 55 16.979 5.814 14.700 1.00 0.00 C ATOM 872 CD LYS A 55 16.967 5.291 16.144 1.00 0.00 C ATOM 873 CE LYS A 55 15.927 6.048 16.976 1.00 0.00 C ATOM 874 NZ LYS A 55 15.846 5.517 18.347 1.00 0.00 N ATOM 0 H LYS A 55 19.343 3.693 12.249 1.00 0.00 H new ATOM 0 HA LYS A 55 18.160 3.231 14.779 1.00 0.00 H new ATOM 0 HB2 LYS A 55 19.022 5.382 14.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.942 5.503 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.174 6.886 14.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.991 5.674 14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.741 4.225 16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.955 5.410 16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.185 7.106 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.951 5.973 16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.133 6.051 18.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.576 4.513 18.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.772 5.612 18.811 1.00 0.00 H new ATOM 888 N LEU A 56 16.036 3.310 12.234 1.00 0.00 N ATOM 889 CA LEU A 56 14.751 2.851 11.730 1.00 0.00 C ATOM 890 C LEU A 56 14.567 1.344 11.968 1.00 0.00 C ATOM 891 O LEU A 56 13.495 0.906 12.381 1.00 0.00 O ATOM 892 CB LEU A 56 14.656 3.290 10.262 1.00 0.00 C ATOM 893 CG LEU A 56 13.557 2.614 9.441 1.00 0.00 C ATOM 894 CD1 LEU A 56 13.058 3.588 8.365 1.00 0.00 C ATOM 895 CD2 LEU A 56 14.103 1.379 8.722 1.00 0.00 C ATOM 0 H LEU A 56 16.592 3.795 11.530 1.00 0.00 H new ATOM 0 HA LEU A 56 13.918 3.301 12.270 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.496 4.368 10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.615 3.097 9.781 1.00 0.00 H new ATOM 0 HG LEU A 56 12.754 2.326 10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.274 3.110 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.659 4.484 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.886 3.863 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.306 0.913 8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.911 1.675 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.482 0.668 9.456 1.00 0.00 H new ATOM 907 N MET A 57 15.613 0.547 11.739 1.00 0.00 N ATOM 908 CA MET A 57 15.611 -0.886 11.974 1.00 0.00 C ATOM 909 C MET A 57 15.325 -1.134 13.448 1.00 0.00 C ATOM 910 O MET A 57 14.469 -1.950 13.764 1.00 0.00 O ATOM 911 CB MET A 57 16.956 -1.501 11.567 1.00 0.00 C ATOM 912 CG MET A 57 16.982 -3.027 11.701 1.00 0.00 C ATOM 913 SD MET A 57 18.609 -3.800 11.484 1.00 0.00 S ATOM 914 CE MET A 57 19.463 -3.221 12.967 1.00 0.00 C ATOM 0 H MET A 57 16.501 0.894 11.377 1.00 0.00 H new ATOM 0 HA MET A 57 14.838 -1.359 11.368 1.00 0.00 H new ATOM 0 HB2 MET A 57 17.176 -1.229 10.535 1.00 0.00 H new ATOM 0 HB3 MET A 57 17.746 -1.074 12.185 1.00 0.00 H new ATOM 0 HG2 MET A 57 16.600 -3.295 12.686 1.00 0.00 H new ATOM 0 HG3 MET A 57 16.296 -3.451 10.967 1.00 0.00 H new ATOM 0 HE1 MET A 57 20.385 -3.787 13.100 1.00 0.00 H new ATOM 0 HE2 MET A 57 19.700 -2.162 12.861 1.00 0.00 H new ATOM 0 HE3 MET A 57 18.821 -3.364 13.836 1.00 0.00 H new ATOM 924 N ASP A 58 16.024 -0.430 14.343 1.00 0.00 N ATOM 925 CA ASP A 58 15.763 -0.519 15.771 1.00 0.00 C ATOM 926 C ASP A 58 14.293 -0.205 16.054 1.00 0.00 C ATOM 927 O ASP A 58 13.626 -0.974 16.737 1.00 0.00 O ATOM 928 CB ASP A 58 16.716 0.380 16.566 1.00 0.00 C ATOM 929 CG ASP A 58 16.512 0.193 18.065 1.00 0.00 C ATOM 930 OD1 ASP A 58 17.059 -0.799 18.593 1.00 0.00 O ATOM 931 OD2 ASP A 58 15.818 1.048 18.658 1.00 0.00 O ATOM 0 H ASP A 58 16.778 0.210 14.095 1.00 0.00 H new ATOM 0 HA ASP A 58 15.954 -1.539 16.104 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.748 0.147 16.303 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.547 1.423 16.299 1.00 0.00 H new ATOM 936 N ASP A 59 13.771 0.894 15.501 1.00 0.00 N ATOM 937 CA ASP A 59 12.365 1.258 15.677 1.00 0.00 C ATOM 938 C ASP A 59 11.429 0.122 15.250 1.00 0.00 C ATOM 939 O ASP A 59 10.539 -0.256 16.008 1.00 0.00 O ATOM 940 CB ASP A 59 12.018 2.563 14.943 1.00 0.00 C ATOM 941 CG ASP A 59 12.788 3.778 15.457 1.00 0.00 C ATOM 942 OD1 ASP A 59 12.711 4.031 16.680 1.00 0.00 O ATOM 943 OD2 ASP A 59 13.419 4.454 14.617 1.00 0.00 O ATOM 0 H ASP A 59 14.304 1.547 14.927 1.00 0.00 H new ATOM 0 HA ASP A 59 12.214 1.429 16.743 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.222 2.437 13.880 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.949 2.752 15.042 1.00 0.00 H new ATOM 948 N LEU A 60 11.621 -0.427 14.048 1.00 0.00 N ATOM 949 CA LEU A 60 10.856 -1.574 13.563 1.00 0.00 C ATOM 950 C LEU A 60 10.995 -2.758 14.534 1.00 0.00 C ATOM 951 O LEU A 60 10.005 -3.273 15.052 1.00 0.00 O ATOM 952 CB LEU A 60 11.323 -1.941 12.136 1.00 0.00 C ATOM 953 CG LEU A 60 10.652 -1.086 11.043 1.00 0.00 C ATOM 954 CD1 LEU A 60 11.518 -0.955 9.789 1.00 0.00 C ATOM 955 CD2 LEU A 60 9.334 -1.713 10.573 1.00 0.00 C ATOM 0 H LEU A 60 12.315 -0.086 13.383 1.00 0.00 H new ATOM 0 HA LEU A 60 9.798 -1.317 13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.404 -1.820 12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.108 -2.993 11.949 1.00 0.00 H new ATOM 0 HG LEU A 60 10.495 -0.112 11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.999 -0.343 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.466 -0.484 10.049 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.707 -1.944 9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.887 -1.085 9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.528 -2.705 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.649 -1.795 11.417 1.00 0.00 H new ATOM 967 N ASP A 61 12.228 -3.209 14.767 1.00 0.00 N ATOM 968 CA ASP A 61 12.522 -4.428 15.508 1.00 0.00 C ATOM 969 C ASP A 61 12.202 -4.324 16.998 1.00 0.00 C ATOM 970 O ASP A 61 12.036 -5.360 17.635 1.00 0.00 O ATOM 971 CB ASP A 61 13.941 -4.943 15.222 1.00 0.00 C ATOM 972 CG ASP A 61 15.086 -4.167 15.880 1.00 0.00 C ATOM 973 OD1 ASP A 61 14.942 -3.772 17.056 1.00 0.00 O ATOM 974 OD2 ASP A 61 16.118 -4.006 15.192 1.00 0.00 O ATOM 0 H ASP A 61 13.064 -2.725 14.438 1.00 0.00 H new ATOM 0 HA ASP A 61 11.838 -5.189 15.133 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.000 -5.982 15.546 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.097 -4.936 14.143 1.00 0.00 H new ATOM 979 N ARG A 62 12.077 -3.107 17.545 1.00 0.00 N ATOM 980 CA ARG A 62 11.666 -2.854 18.926 1.00 0.00 C ATOM 981 C ARG A 62 10.512 -3.777 19.324 1.00 0.00 C ATOM 982 O ARG A 62 10.497 -4.295 20.438 1.00 0.00 O ATOM 983 CB ARG A 62 11.300 -1.373 19.093 1.00 0.00 C ATOM 984 CG ARG A 62 11.121 -0.980 20.566 1.00 0.00 C ATOM 985 CD ARG A 62 10.990 0.542 20.697 1.00 0.00 C ATOM 986 NE ARG A 62 12.226 1.209 20.255 1.00 0.00 N ATOM 987 CZ ARG A 62 12.317 2.216 19.373 1.00 0.00 C ATOM 988 NH1 ARG A 62 11.240 2.896 18.969 1.00 0.00 N ATOM 989 NH2 ARG A 62 13.507 2.538 18.862 1.00 0.00 N ATOM 0 H ARG A 62 12.265 -2.251 17.023 1.00 0.00 H new ATOM 0 HA ARG A 62 12.496 -3.074 19.597 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.080 -0.756 18.647 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.379 -1.165 18.549 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.234 -1.465 20.974 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.973 -1.330 21.149 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.148 0.893 20.100 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.778 0.806 21.733 1.00 0.00 H new ATOM 0 HE ARG A 62 13.100 0.872 20.659 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.318 2.654 19.332 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.340 3.657 18.297 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.340 2.020 19.142 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.584 3.302 18.191 1.00 0.00 H new ATOM 1003 N ASN A 63 9.591 -3.997 18.375 1.00 0.00 N ATOM 1004 CA ASN A 63 8.548 -5.019 18.390 1.00 0.00 C ATOM 1005 C ASN A 63 8.910 -6.236 19.243 1.00 0.00 C ATOM 1006 O ASN A 63 8.161 -6.616 20.138 1.00 0.00 O ATOM 1007 CB ASN A 63 8.322 -5.433 16.930 1.00 0.00 C ATOM 1008 CG ASN A 63 7.545 -6.737 16.748 1.00 0.00 C ATOM 1009 OD1 ASN A 63 6.364 -6.731 16.420 1.00 0.00 O ATOM 1010 ND2 ASN A 63 8.213 -7.883 16.807 1.00 0.00 N ATOM 0 H ASN A 63 9.557 -3.430 17.528 1.00 0.00 H new ATOM 0 HA ASN A 63 7.646 -4.609 18.844 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.787 -4.633 16.419 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.291 -5.532 16.441 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.743 -8.759 16.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.196 -7.887 17.080 1.00 0.00 H new ATOM 1017 N LYS A 64 10.051 -6.854 18.937 1.00 0.00 N ATOM 1018 CA LYS A 64 10.589 -7.982 19.678 1.00 0.00 C ATOM 1019 C LYS A 64 12.073 -8.119 19.333 1.00 0.00 C ATOM 1020 O LYS A 64 12.479 -9.124 18.749 1.00 0.00 O ATOM 1021 CB LYS A 64 9.794 -9.266 19.379 1.00 0.00 C ATOM 1022 CG LYS A 64 10.086 -10.337 20.443 1.00 0.00 C ATOM 1023 CD LYS A 64 9.664 -11.740 19.984 1.00 0.00 C ATOM 1024 CE LYS A 64 10.840 -12.523 19.383 1.00 0.00 C ATOM 1025 NZ LYS A 64 11.456 -11.824 18.242 1.00 0.00 N ATOM 0 H LYS A 64 10.635 -6.574 18.149 1.00 0.00 H new ATOM 0 HA LYS A 64 10.493 -7.812 20.750 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.727 -9.045 19.360 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.059 -9.644 18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.151 -10.337 20.673 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.561 -10.084 21.364 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.255 -12.292 20.831 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.868 -11.656 19.244 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.593 -12.690 20.153 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.492 -13.504 19.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.222 -12.408 17.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.738 -11.657 17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.843 -10.913 18.561 1.00 0.00 H new ATOM 1039 N ASP A 65 12.845 -7.091 19.705 1.00 0.00 N ATOM 1040 CA ASP A 65 14.292 -6.888 19.567 1.00 0.00 C ATOM 1041 C ASP A 65 14.963 -7.458 18.309 1.00 0.00 C ATOM 1042 O ASP A 65 15.513 -6.716 17.503 1.00 0.00 O ATOM 1043 CB ASP A 65 15.036 -7.244 20.867 1.00 0.00 C ATOM 1044 CG ASP A 65 15.280 -8.738 21.066 1.00 0.00 C ATOM 1045 OD1 ASP A 65 14.283 -9.491 21.050 1.00 0.00 O ATOM 1046 OD2 ASP A 65 16.466 -9.105 21.213 1.00 0.00 O ATOM 0 H ASP A 65 12.419 -6.286 20.165 1.00 0.00 H new ATOM 0 HA ASP A 65 14.387 -5.816 19.395 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.996 -6.727 20.875 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.463 -6.866 21.714 1.00 0.00 H new ATOM 1051 N GLN A 66 14.964 -8.777 18.156 1.00 0.00 N ATOM 1052 CA GLN A 66 15.535 -9.482 17.022 1.00 0.00 C ATOM 1053 C GLN A 66 14.629 -9.367 15.790 1.00 0.00 C ATOM 1054 O GLN A 66 15.120 -9.530 14.670 1.00 0.00 O ATOM 1055 CB GLN A 66 15.771 -10.945 17.433 1.00 0.00 C ATOM 1056 CG GLN A 66 16.463 -11.803 16.361 1.00 0.00 C ATOM 1057 CD GLN A 66 17.842 -11.272 15.973 1.00 0.00 C ATOM 1058 OE1 GLN A 66 18.640 -10.918 16.835 1.00 0.00 O ATOM 1059 NE2 GLN A 66 18.151 -11.203 14.682 1.00 0.00 N ATOM 0 H GLN A 66 14.551 -9.405 18.846 1.00 0.00 H new ATOM 0 HA GLN A 66 16.488 -9.033 16.741 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.375 -10.962 18.340 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.812 -11.399 17.681 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.563 -12.824 16.729 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.832 -11.844 15.473 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.475 -11.502 13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 66 19.064 -10.851 14.394 1.00 0.00 H new ATOM 1068 N GLU A 67 13.317 -9.150 15.978 1.00 0.00 N ATOM 1069 CA GLU A 67 12.345 -9.219 14.892 1.00 0.00 C ATOM 1070 C GLU A 67 11.226 -8.179 14.994 1.00 0.00 C ATOM 1071 O GLU A 67 10.883 -7.732 16.090 1.00 0.00 O ATOM 1072 CB GLU A 67 11.718 -10.620 14.839 1.00 0.00 C ATOM 1073 CG GLU A 67 12.711 -11.785 14.956 1.00 0.00 C ATOM 1074 CD GLU A 67 12.014 -13.119 14.721 1.00 0.00 C ATOM 1075 OE1 GLU A 67 11.280 -13.540 15.640 1.00 0.00 O ATOM 1076 OE2 GLU A 67 12.222 -13.682 13.625 1.00 0.00 O ATOM 0 H GLU A 67 12.909 -8.923 16.885 1.00 0.00 H new ATOM 0 HA GLU A 67 12.901 -9.001 13.980 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.987 -10.704 15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.172 -10.721 13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.515 -11.657 14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.170 -11.779 15.945 1.00 0.00 H new ATOM 1083 N VAL A 68 10.626 -7.862 13.838 1.00 0.00 N ATOM 1084 CA VAL A 68 9.414 -7.068 13.678 1.00 0.00 C ATOM 1085 C VAL A 68 8.294 -7.963 13.136 1.00 0.00 C ATOM 1086 O VAL A 68 8.513 -8.684 12.160 1.00 0.00 O ATOM 1087 CB VAL A 68 9.677 -5.833 12.795 1.00 0.00 C ATOM 1088 CG1 VAL A 68 10.135 -6.161 11.369 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.431 -4.939 12.739 1.00 0.00 C ATOM 0 H VAL A 68 11.000 -8.174 12.942 1.00 0.00 H new ATOM 0 HA VAL A 68 9.093 -6.681 14.645 1.00 0.00 H new ATOM 0 HB VAL A 68 10.505 -5.309 13.272 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.297 -5.235 10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.065 -6.729 11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.369 -6.753 10.868 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.634 -4.071 12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.597 -5.503 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.176 -4.607 13.745 1.00 0.00 H new ATOM 1099 N ASN A 69 7.109 -7.947 13.762 1.00 0.00 N ATOM 1100 CA ASN A 69 5.963 -8.704 13.269 1.00 0.00 C ATOM 1101 C ASN A 69 5.238 -7.915 12.182 1.00 0.00 C ATOM 1102 O ASN A 69 5.303 -6.685 12.148 1.00 0.00 O ATOM 1103 CB ASN A 69 5.007 -9.130 14.397 1.00 0.00 C ATOM 1104 CG ASN A 69 3.780 -8.226 14.532 1.00 0.00 C ATOM 1105 OD1 ASN A 69 2.803 -8.371 13.799 1.00 0.00 O ATOM 1106 ND2 ASN A 69 3.812 -7.281 15.459 1.00 0.00 N ATOM 0 H ASN A 69 6.925 -7.415 14.612 1.00 0.00 H new ATOM 0 HA ASN A 69 6.342 -9.628 12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.677 -10.153 14.215 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.551 -9.134 15.341 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.016 -6.655 15.577 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.633 -7.179 16.056 1.00 0.00 H new ATOM 1113 N PHE A 70 4.519 -8.631 11.319 1.00 0.00 N ATOM 1114 CA PHE A 70 3.794 -8.069 10.192 1.00 0.00 C ATOM 1115 C PHE A 70 2.989 -6.810 10.536 1.00 0.00 C ATOM 1116 O PHE A 70 3.169 -5.768 9.902 1.00 0.00 O ATOM 1117 CB PHE A 70 2.919 -9.159 9.567 1.00 0.00 C ATOM 1118 CG PHE A 70 2.060 -8.645 8.438 1.00 0.00 C ATOM 1119 CD1 PHE A 70 2.675 -8.147 7.275 1.00 0.00 C ATOM 1120 CD2 PHE A 70 0.686 -8.438 8.649 1.00 0.00 C ATOM 1121 CE1 PHE A 70 1.916 -7.449 6.323 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -0.070 -7.730 7.703 1.00 0.00 C ATOM 1123 CZ PHE A 70 0.546 -7.227 6.545 1.00 0.00 C ATOM 0 H PHE A 70 4.425 -9.644 11.391 1.00 0.00 H new ATOM 0 HA PHE A 70 4.529 -7.727 9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.556 -9.962 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.279 -9.590 10.337 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.732 -8.302 7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.212 -8.824 9.539 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.384 -7.083 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.126 -7.572 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.034 -6.669 5.825 1.00 0.00 H new ATOM 1133 N GLN A 71 2.099 -6.868 11.531 1.00 0.00 N ATOM 1134 CA GLN A 71 1.244 -5.716 11.781 1.00 0.00 C ATOM 1135 C GLN A 71 2.080 -4.523 12.246 1.00 0.00 C ATOM 1136 O GLN A 71 1.807 -3.392 11.848 1.00 0.00 O ATOM 1137 CB GLN A 71 0.104 -6.032 12.755 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.917 -4.881 12.703 1.00 0.00 C ATOM 1139 CD GLN A 71 -2.100 -5.059 13.642 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -2.143 -5.979 14.452 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -3.075 -4.161 13.546 1.00 0.00 N ATOM 0 H GLN A 71 1.958 -7.666 12.150 1.00 0.00 H new ATOM 0 HA GLN A 71 0.766 -5.450 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.374 -6.974 12.486 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.492 -6.149 13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.410 -3.948 12.948 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.288 -4.784 11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.009 -3.408 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.889 -4.225 14.157 1.00 0.00 H new ATOM 1150 N GLU A 72 3.104 -4.751 13.073 1.00 0.00 N ATOM 1151 CA GLU A 72 3.962 -3.661 13.513 1.00 0.00 C ATOM 1152 C GLU A 72 4.783 -3.106 12.347 1.00 0.00 C ATOM 1153 O GLU A 72 4.997 -1.898 12.278 1.00 0.00 O ATOM 1154 CB GLU A 72 4.796 -4.059 14.733 1.00 0.00 C ATOM 1155 CG GLU A 72 3.891 -4.008 15.974 1.00 0.00 C ATOM 1156 CD GLU A 72 4.623 -4.397 17.252 1.00 0.00 C ATOM 1157 OE1 GLU A 72 5.594 -3.683 17.582 1.00 0.00 O ATOM 1158 OE2 GLU A 72 4.189 -5.387 17.879 1.00 0.00 O ATOM 0 H GLU A 72 3.352 -5.668 13.444 1.00 0.00 H new ATOM 0 HA GLU A 72 3.335 -2.837 13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.205 -5.061 14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.642 -3.382 14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.488 -3.001 16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.043 -4.677 15.828 1.00 0.00 H new ATOM 1165 N TYR A 73 5.191 -3.953 11.400 1.00 0.00 N ATOM 1166 CA TYR A 73 5.767 -3.485 10.145 1.00 0.00 C ATOM 1167 C TYR A 73 4.793 -2.525 9.444 1.00 0.00 C ATOM 1168 O TYR A 73 5.182 -1.409 9.107 1.00 0.00 O ATOM 1169 CB TYR A 73 6.199 -4.677 9.279 1.00 0.00 C ATOM 1170 CG TYR A 73 6.201 -4.448 7.778 1.00 0.00 C ATOM 1171 CD1 TYR A 73 7.367 -4.006 7.128 1.00 0.00 C ATOM 1172 CD2 TYR A 73 5.084 -4.841 7.016 1.00 0.00 C ATOM 1173 CE1 TYR A 73 7.430 -4.007 5.722 1.00 0.00 C ATOM 1174 CE2 TYR A 73 5.134 -4.800 5.613 1.00 0.00 C ATOM 1175 CZ TYR A 73 6.314 -4.402 4.965 1.00 0.00 C ATOM 1176 OH TYR A 73 6.407 -4.473 3.607 1.00 0.00 O ATOM 0 H TYR A 73 5.132 -4.968 11.482 1.00 0.00 H new ATOM 0 HA TYR A 73 6.674 -2.912 10.338 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.203 -4.975 9.582 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.538 -5.516 9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.213 -3.666 7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.185 -5.175 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.339 -3.703 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.265 -5.074 5.033 1.00 0.00 H new ATOM 0 HH TYR A 73 5.720 -5.081 3.263 1.00 0.00 H new ATOM 1186 N ILE A 74 3.527 -2.919 9.258 1.00 0.00 N ATOM 1187 CA ILE A 74 2.533 -2.032 8.645 1.00 0.00 C ATOM 1188 C ILE A 74 2.404 -0.727 9.455 1.00 0.00 C ATOM 1189 O ILE A 74 2.486 0.369 8.901 1.00 0.00 O ATOM 1190 CB ILE A 74 1.173 -2.741 8.469 1.00 0.00 C ATOM 1191 CG1 ILE A 74 1.230 -4.017 7.603 1.00 0.00 C ATOM 1192 CG2 ILE A 74 0.139 -1.764 7.888 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.470 -3.774 6.110 1.00 0.00 C ATOM 0 H ILE A 74 3.170 -3.838 9.521 1.00 0.00 H new ATOM 0 HA ILE A 74 2.879 -1.770 7.645 1.00 0.00 H new ATOM 0 HB ILE A 74 0.877 -3.065 9.467 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.023 -4.661 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.293 -4.561 7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.817 -2.274 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.016 -0.919 8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.483 -1.405 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.494 -4.729 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.665 -3.159 5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.422 -3.261 5.973 1.00 0.00 H new ATOM 1205 N THR A 75 2.220 -0.837 10.773 1.00 0.00 N ATOM 1206 CA THR A 75 2.103 0.300 11.688 1.00 0.00 C ATOM 1207 C THR A 75 3.274 1.265 11.498 1.00 0.00 C ATOM 1208 O THR A 75 3.095 2.484 11.399 1.00 0.00 O ATOM 1209 CB THR A 75 2.066 -0.206 13.140 1.00 0.00 C ATOM 1210 OG1 THR A 75 1.042 -1.166 13.295 1.00 0.00 O ATOM 1211 CG2 THR A 75 1.837 0.925 14.146 1.00 0.00 C ATOM 0 H THR A 75 2.147 -1.739 11.244 1.00 0.00 H new ATOM 0 HA THR A 75 1.178 0.834 11.469 1.00 0.00 H new ATOM 0 HB THR A 75 3.040 -0.650 13.343 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.341 -2.025 12.931 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.819 0.516 15.156 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.644 1.654 14.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.885 1.412 13.935 1.00 0.00 H new ATOM 1219 N PHE A 76 4.486 0.710 11.456 1.00 0.00 N ATOM 1220 CA PHE A 76 5.694 1.476 11.248 1.00 0.00 C ATOM 1221 C PHE A 76 5.679 2.115 9.864 1.00 0.00 C ATOM 1222 O PHE A 76 6.002 3.288 9.746 1.00 0.00 O ATOM 1223 CB PHE A 76 6.936 0.608 11.440 1.00 0.00 C ATOM 1224 CG PHE A 76 8.205 1.409 11.232 1.00 0.00 C ATOM 1225 CD1 PHE A 76 8.725 1.552 9.933 1.00 0.00 C ATOM 1226 CD2 PHE A 76 8.710 2.205 12.277 1.00 0.00 C ATOM 1227 CE1 PHE A 76 9.766 2.458 9.687 1.00 0.00 C ATOM 1228 CE2 PHE A 76 9.715 3.152 12.018 1.00 0.00 C ATOM 1229 CZ PHE A 76 10.229 3.291 10.717 1.00 0.00 C ATOM 0 H PHE A 76 4.647 -0.291 11.567 1.00 0.00 H new ATOM 0 HA PHE A 76 5.732 2.270 11.994 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.933 0.182 12.443 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.911 -0.226 10.739 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.321 0.962 9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.325 2.088 13.279 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.212 2.515 8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.092 3.772 12.817 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.980 4.039 10.510 1.00 0.00 H new ATOM 1239 N LEU A 77 5.295 1.388 8.812 1.00 0.00 N ATOM 1240 CA LEU A 77 5.134 2.005 7.499 1.00 0.00 C ATOM 1241 C LEU A 77 4.153 3.180 7.570 1.00 0.00 C ATOM 1242 O LEU A 77 4.348 4.183 6.887 1.00 0.00 O ATOM 1243 CB LEU A 77 4.757 0.972 6.429 1.00 0.00 C ATOM 1244 CG LEU A 77 5.943 0.067 6.049 1.00 0.00 C ATOM 1245 CD1 LEU A 77 5.457 -1.065 5.143 1.00 0.00 C ATOM 1246 CD2 LEU A 77 7.035 0.837 5.292 1.00 0.00 C ATOM 0 H LEU A 77 5.093 0.389 8.844 1.00 0.00 H new ATOM 0 HA LEU A 77 6.096 2.413 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.935 0.356 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.397 1.488 5.539 1.00 0.00 H new ATOM 0 HG LEU A 77 6.361 -0.320 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.299 -1.704 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.706 -1.655 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.019 -0.644 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.852 0.160 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.618 1.253 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.411 1.645 5.919 1.00 0.00 H new ATOM 1258 N GLY A 78 3.140 3.105 8.435 1.00 0.00 N ATOM 1259 CA GLY A 78 2.302 4.254 8.748 1.00 0.00 C ATOM 1260 C GLY A 78 3.138 5.427 9.273 1.00 0.00 C ATOM 1261 O GLY A 78 3.021 6.549 8.780 1.00 0.00 O ATOM 0 H GLY A 78 2.882 2.252 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.757 4.563 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.558 3.972 9.494 1.00 0.00 H new ATOM 1265 N ALA A 79 4.012 5.180 10.252 1.00 0.00 N ATOM 1266 CA ALA A 79 4.948 6.201 10.715 1.00 0.00 C ATOM 1267 C ALA A 79 5.814 6.713 9.561 1.00 0.00 C ATOM 1268 O ALA A 79 6.011 7.913 9.420 1.00 0.00 O ATOM 1269 CB ALA A 79 5.819 5.689 11.868 1.00 0.00 C ATOM 0 H ALA A 79 4.089 4.285 10.736 1.00 0.00 H new ATOM 0 HA ALA A 79 4.359 7.036 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.502 6.477 12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.183 5.402 12.705 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.392 4.824 11.535 1.00 0.00 H new ATOM 1275 N LEU A 80 6.327 5.816 8.717 1.00 0.00 N ATOM 1276 CA LEU A 80 7.165 6.167 7.582 1.00 0.00 C ATOM 1277 C LEU A 80 6.408 7.108 6.639 1.00 0.00 C ATOM 1278 O LEU A 80 6.947 8.125 6.213 1.00 0.00 O ATOM 1279 CB LEU A 80 7.647 4.890 6.876 1.00 0.00 C ATOM 1280 CG LEU A 80 8.905 5.110 6.021 1.00 0.00 C ATOM 1281 CD1 LEU A 80 10.154 5.281 6.893 1.00 0.00 C ATOM 1282 CD2 LEU A 80 9.136 3.892 5.123 1.00 0.00 C ATOM 0 H LEU A 80 6.167 4.813 8.809 1.00 0.00 H new ATOM 0 HA LEU A 80 8.050 6.703 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.853 4.125 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.847 4.509 6.242 1.00 0.00 H new ATOM 0 HG LEU A 80 8.744 6.013 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.025 5.434 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.026 6.144 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.301 4.386 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.029 4.050 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.270 3.004 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.275 3.753 4.470 1.00 0.00 H new ATOM 1294 N ALA A 81 5.141 6.802 6.350 1.00 0.00 N ATOM 1295 CA ALA A 81 4.255 7.678 5.598 1.00 0.00 C ATOM 1296 C ALA A 81 4.131 9.041 6.290 1.00 0.00 C ATOM 1297 O ALA A 81 4.271 10.087 5.655 1.00 0.00 O ATOM 1298 CB ALA A 81 2.893 7.005 5.422 1.00 0.00 C ATOM 0 H ALA A 81 4.701 5.928 6.637 1.00 0.00 H new ATOM 0 HA ALA A 81 4.676 7.856 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.232 7.663 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.018 6.067 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.457 6.804 6.401 1.00 0.00 H new ATOM 1304 N MET A 82 3.890 9.037 7.603 1.00 0.00 N ATOM 1305 CA MET A 82 3.809 10.270 8.375 1.00 0.00 C ATOM 1306 C MET A 82 5.110 11.082 8.281 1.00 0.00 C ATOM 1307 O MET A 82 5.062 12.309 8.214 1.00 0.00 O ATOM 1308 CB MET A 82 3.404 9.956 9.820 1.00 0.00 C ATOM 1309 CG MET A 82 3.024 11.225 10.592 1.00 0.00 C ATOM 1310 SD MET A 82 2.410 10.915 12.266 1.00 0.00 S ATOM 1311 CE MET A 82 2.089 12.610 12.797 1.00 0.00 C ATOM 0 H MET A 82 3.748 8.189 8.151 1.00 0.00 H new ATOM 0 HA MET A 82 3.033 10.905 7.948 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.561 9.265 9.819 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.228 9.454 10.328 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.896 11.876 10.651 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.261 11.764 10.031 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.702 12.605 13.816 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.015 13.183 12.763 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.355 13.067 12.133 1.00 0.00 H new ATOM 1321 N ILE A 83 6.260 10.402 8.272 1.00 0.00 N ATOM 1322 CA ILE A 83 7.586 11.001 8.160 1.00 0.00 C ATOM 1323 C ILE A 83 7.815 11.549 6.748 1.00 0.00 C ATOM 1324 O ILE A 83 8.349 12.647 6.612 1.00 0.00 O ATOM 1325 CB ILE A 83 8.665 9.991 8.604 1.00 0.00 C ATOM 1326 CG1 ILE A 83 8.573 9.777 10.128 1.00 0.00 C ATOM 1327 CG2 ILE A 83 10.079 10.473 8.235 1.00 0.00 C ATOM 1328 CD1 ILE A 83 9.285 8.504 10.597 1.00 0.00 C ATOM 0 H ILE A 83 6.291 9.385 8.345 1.00 0.00 H new ATOM 0 HA ILE A 83 7.658 11.855 8.833 1.00 0.00 H new ATOM 0 HB ILE A 83 8.484 9.052 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 83 9.006 10.638 10.637 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.524 9.729 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.812 9.736 8.563 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.150 10.599 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.278 11.426 8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.185 8.409 11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.836 7.637 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.341 8.560 10.334 1.00 0.00 H new ATOM 1340 N TYR A 84 7.412 10.818 5.697 1.00 0.00 N ATOM 1341 CA TYR A 84 7.396 11.353 4.334 1.00 0.00 C ATOM 1342 C TYR A 84 6.638 12.681 4.364 1.00 0.00 C ATOM 1343 O TYR A 84 7.120 13.694 3.864 1.00 0.00 O ATOM 1344 CB TYR A 84 6.715 10.391 3.343 1.00 0.00 C ATOM 1345 CG TYR A 84 7.511 9.217 2.797 1.00 0.00 C ATOM 1346 CD1 TYR A 84 8.582 8.635 3.502 1.00 0.00 C ATOM 1347 CD2 TYR A 84 7.124 8.675 1.556 1.00 0.00 C ATOM 1348 CE1 TYR A 84 9.269 7.534 2.957 1.00 0.00 C ATOM 1349 CE2 TYR A 84 7.825 7.590 1.004 1.00 0.00 C ATOM 1350 CZ TYR A 84 8.888 7.008 1.711 1.00 0.00 C ATOM 1351 OH TYR A 84 9.542 5.928 1.198 1.00 0.00 O ATOM 0 H TYR A 84 7.093 9.852 5.770 1.00 0.00 H new ATOM 0 HA TYR A 84 8.423 11.488 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.827 9.989 3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.372 10.981 2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.877 9.034 4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.283 9.096 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.092 7.092 3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.546 7.204 0.035 1.00 0.00 H new ATOM 0 HH TYR A 84 9.241 5.770 0.279 1.00 0.00 H new ATOM 1361 N ASN A 85 5.444 12.654 4.965 1.00 0.00 N ATOM 1362 CA ASN A 85 4.640 13.811 5.336 1.00 0.00 C ATOM 1363 C ASN A 85 4.010 14.521 4.141 1.00 0.00 C ATOM 1364 O ASN A 85 2.790 14.604 4.046 1.00 0.00 O ATOM 1365 CB ASN A 85 5.432 14.788 6.216 1.00 0.00 C ATOM 1366 CG ASN A 85 4.473 15.567 7.104 1.00 0.00 C ATOM 1367 OD1 ASN A 85 4.115 16.702 6.813 1.00 0.00 O ATOM 1368 ND2 ASN A 85 4.038 14.943 8.194 1.00 0.00 N ATOM 0 H ASN A 85 4.993 11.774 5.217 1.00 0.00 H new ATOM 0 HA ASN A 85 3.810 13.421 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.149 14.242 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.004 15.474 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.383 15.410 8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.359 13.998 8.403 1.00 0.00 H new ATOM 1375 N GLU A 86 4.830 14.998 3.205 1.00 0.00 N ATOM 1376 CA GLU A 86 4.374 15.629 1.973 1.00 0.00 C ATOM 1377 C GLU A 86 3.359 14.725 1.270 1.00 0.00 C ATOM 1378 O GLU A 86 2.323 15.193 0.807 1.00 0.00 O ATOM 1379 CB GLU A 86 5.569 15.936 1.060 1.00 0.00 C ATOM 1380 CG GLU A 86 6.646 16.795 1.745 1.00 0.00 C ATOM 1381 CD GLU A 86 6.078 18.088 2.324 1.00 0.00 C ATOM 1382 OE1 GLU A 86 5.584 18.901 1.513 1.00 0.00 O ATOM 1383 OE2 GLU A 86 6.138 18.232 3.563 1.00 0.00 O ATOM 0 H GLU A 86 5.846 14.955 3.286 1.00 0.00 H new ATOM 0 HA GLU A 86 3.884 16.573 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.016 14.999 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.214 16.452 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.114 16.218 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.428 17.035 1.024 1.00 0.00 H new ATOM 1390 N ALA A 87 3.639 13.418 1.261 1.00 0.00 N ATOM 1391 CA ALA A 87 2.741 12.382 0.768 1.00 0.00 C ATOM 1392 C ALA A 87 1.298 12.581 1.249 1.00 0.00 C ATOM 1393 O ALA A 87 0.364 12.392 0.474 1.00 0.00 O ATOM 1394 CB ALA A 87 3.270 11.011 1.197 1.00 0.00 C ATOM 0 H ALA A 87 4.523 13.046 1.608 1.00 0.00 H new ATOM 0 HA ALA A 87 2.716 12.446 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.601 10.232 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.266 10.859 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.320 10.964 2.285 1.00 0.00 H new ATOM 1400 N LEU A 88 1.114 12.963 2.517 1.00 0.00 N ATOM 1401 CA LEU A 88 -0.201 13.198 3.103 1.00 0.00 C ATOM 1402 C LEU A 88 -0.919 14.329 2.363 1.00 0.00 C ATOM 1403 O LEU A 88 -2.120 14.254 2.125 1.00 0.00 O ATOM 1404 CB LEU A 88 -0.073 13.536 4.598 1.00 0.00 C ATOM 1405 CG LEU A 88 0.734 12.523 5.430 1.00 0.00 C ATOM 1406 CD1 LEU A 88 0.888 13.071 6.853 1.00 0.00 C ATOM 1407 CD2 LEU A 88 0.066 11.146 5.480 1.00 0.00 C ATOM 0 H LEU A 88 1.884 13.118 3.168 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.790 12.286 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.394 14.516 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.073 13.617 5.023 1.00 0.00 H new ATOM 0 HG LEU A 88 1.706 12.391 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.458 12.364 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.413 14.026 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.097 13.214 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.674 10.468 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.923 11.238 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.029 10.751 4.469 1.00 0.00 H new ATOM 1479 N SER B 3 10.167 3.196 -5.426 1.00 0.00 N ATOM 1480 CA SER B 3 8.950 3.457 -6.175 1.00 0.00 C ATOM 1481 C SER B 3 7.841 2.410 -5.984 1.00 0.00 C ATOM 1482 O SER B 3 6.710 2.802 -5.697 1.00 0.00 O ATOM 1483 CB SER B 3 9.311 3.697 -7.648 1.00 0.00 C ATOM 1484 OG SER B 3 10.620 4.243 -7.718 1.00 0.00 O ATOM 0 HA SER B 3 8.499 4.361 -5.765 1.00 0.00 H new ATOM 0 HB2 SER B 3 9.263 2.761 -8.205 1.00 0.00 H new ATOM 0 HB3 SER B 3 8.594 4.378 -8.106 1.00 0.00 H new ATOM 0 HG SER B 3 11.090 4.075 -6.875 1.00 0.00 H new ATOM 1490 N PRO B 4 8.118 1.097 -6.122 1.00 0.00 N ATOM 1491 CA PRO B 4 7.111 0.057 -5.980 1.00 0.00 C ATOM 1492 C PRO B 4 6.415 0.090 -4.622 1.00 0.00 C ATOM 1493 O PRO B 4 5.215 -0.162 -4.557 1.00 0.00 O ATOM 1494 CB PRO B 4 7.829 -1.277 -6.205 1.00 0.00 C ATOM 1495 CG PRO B 4 9.049 -0.881 -7.034 1.00 0.00 C ATOM 1496 CD PRO B 4 9.397 0.476 -6.428 1.00 0.00 C ATOM 0 HA PRO B 4 6.315 0.209 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO B 4 8.117 -1.743 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO B 4 7.197 -1.990 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO B 4 9.864 -1.597 -6.933 1.00 0.00 H new ATOM 0 HG3 PRO B 4 8.818 -0.809 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO B 4 10.004 0.362 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO B 4 9.972 1.083 -7.127 1.00 0.00 H new ATOM 1504 N LEU B 5 7.138 0.397 -3.538 1.00 0.00 N ATOM 1505 CA LEU B 5 6.503 0.538 -2.236 1.00 0.00 C ATOM 1506 C LEU B 5 5.857 1.916 -2.140 1.00 0.00 C ATOM 1507 O LEU B 5 4.705 2.028 -1.718 1.00 0.00 O ATOM 1508 CB LEU B 5 7.501 0.305 -1.094 1.00 0.00 C ATOM 1509 CG LEU B 5 6.826 0.440 0.286 1.00 0.00 C ATOM 1510 CD1 LEU B 5 5.661 -0.535 0.475 1.00 0.00 C ATOM 1511 CD2 LEU B 5 7.828 0.170 1.407 1.00 0.00 C ATOM 0 H LEU B 5 8.147 0.549 -3.542 1.00 0.00 H new ATOM 0 HA LEU B 5 5.731 -0.225 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU B 5 7.939 -0.689 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU B 5 8.318 1.022 -1.172 1.00 0.00 H new ATOM 0 HG LEU B 5 6.449 1.462 0.329 1.00 0.00 H new ATOM 0 HD11 LEU B 5 5.225 -0.394 1.464 1.00 0.00 H new ATOM 0 HD12 LEU B 5 4.903 -0.348 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU B 5 6.024 -1.558 0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 5 7.331 0.271 2.372 1.00 0.00 H new ATOM 0 HD22 LEU B 5 8.223 -0.841 1.306 1.00 0.00 H new ATOM 0 HD23 LEU B 5 8.646 0.887 1.344 1.00 0.00 H new ATOM 1523 N ASP B 6 6.598 2.960 -2.533 1.00 0.00 N ATOM 1524 CA ASP B 6 6.139 4.342 -2.438 1.00 0.00 C ATOM 1525 C ASP B 6 4.744 4.492 -3.035 1.00 0.00 C ATOM 1526 O ASP B 6 3.875 5.093 -2.412 1.00 0.00 O ATOM 1527 CB ASP B 6 7.103 5.316 -3.127 1.00 0.00 C ATOM 1528 CG ASP B 6 8.493 5.368 -2.503 1.00 0.00 C ATOM 1529 OD1 ASP B 6 8.593 5.175 -1.271 1.00 0.00 O ATOM 1530 OD2 ASP B 6 9.438 5.625 -3.278 1.00 0.00 O ATOM 0 H ASP B 6 7.534 2.864 -2.926 1.00 0.00 H new ATOM 0 HA ASP B 6 6.106 4.592 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP B 6 7.198 5.034 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP B 6 6.669 6.316 -3.104 1.00 0.00 H new ATOM 1535 N GLN B 7 4.515 3.937 -4.229 1.00 0.00 N ATOM 1536 CA GLN B 7 3.200 4.004 -4.856 1.00 0.00 C ATOM 1537 C GLN B 7 2.126 3.323 -3.998 1.00 0.00 C ATOM 1538 O GLN B 7 1.007 3.820 -3.908 1.00 0.00 O ATOM 1539 CB GLN B 7 3.255 3.497 -6.305 1.00 0.00 C ATOM 1540 CG GLN B 7 3.602 2.009 -6.450 1.00 0.00 C ATOM 1541 CD GLN B 7 2.416 1.067 -6.250 1.00 0.00 C ATOM 1542 OE1 GLN B 7 1.283 1.391 -6.587 1.00 0.00 O ATOM 1543 NE2 GLN B 7 2.665 -0.115 -5.698 1.00 0.00 N ATOM 0 H GLN B 7 5.220 3.441 -4.774 1.00 0.00 H new ATOM 0 HA GLN B 7 2.897 5.049 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN B 7 2.289 3.679 -6.776 1.00 0.00 H new ATOM 0 HB3 GLN B 7 3.992 4.083 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN B 7 4.022 1.840 -7.441 1.00 0.00 H new ATOM 0 HG3 GLN B 7 4.378 1.756 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.617 -0.361 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN B 7 1.904 -0.777 -5.546 1.00 0.00 H new ATOM 1552 N ALA B 8 2.450 2.205 -3.342 1.00 0.00 N ATOM 1553 CA ALA B 8 1.481 1.468 -2.544 1.00 0.00 C ATOM 1554 C ALA B 8 1.117 2.247 -1.284 1.00 0.00 C ATOM 1555 O ALA B 8 -0.063 2.472 -1.021 1.00 0.00 O ATOM 1556 CB ALA B 8 2.001 0.078 -2.200 1.00 0.00 C ATOM 0 H ALA B 8 3.383 1.793 -3.352 1.00 0.00 H new ATOM 0 HA ALA B 8 0.575 1.345 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.258 -0.451 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA B 8 2.191 -0.477 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.927 0.166 -1.631 1.00 0.00 H new ATOM 1562 N ILE B 9 2.114 2.684 -0.505 1.00 0.00 N ATOM 1563 CA ILE B 9 1.812 3.533 0.647 1.00 0.00 C ATOM 1564 C ILE B 9 1.081 4.793 0.161 1.00 0.00 C ATOM 1565 O ILE B 9 0.057 5.182 0.721 1.00 0.00 O ATOM 1566 CB ILE B 9 3.051 3.800 1.527 1.00 0.00 C ATOM 1567 CG1 ILE B 9 4.181 4.529 0.788 1.00 0.00 C ATOM 1568 CG2 ILE B 9 3.546 2.470 2.117 1.00 0.00 C ATOM 1569 CD1 ILE B 9 5.390 4.822 1.679 1.00 0.00 C ATOM 0 H ILE B 9 3.102 2.472 -0.645 1.00 0.00 H new ATOM 0 HA ILE B 9 1.136 3.010 1.323 1.00 0.00 H new ATOM 0 HB ILE B 9 2.745 4.474 2.327 1.00 0.00 H new ATOM 0 HG12 ILE B 9 4.501 3.925 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE B 9 3.798 5.467 0.386 1.00 0.00 H new ATOM 0 HG21 ILE B 9 4.422 2.652 2.740 1.00 0.00 H new ATOM 0 HG22 ILE B 9 2.757 2.024 2.722 1.00 0.00 H new ATOM 0 HG23 ILE B 9 3.811 1.789 1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 9 6.154 5.338 1.098 1.00 0.00 H new ATOM 0 HD12 ILE B 9 5.082 5.451 2.514 1.00 0.00 H new ATOM 0 HD13 ILE B 9 5.796 3.885 2.061 1.00 0.00 H new ATOM 1581 N GLY B 10 1.559 5.369 -0.947 1.00 0.00 N ATOM 1582 CA GLY B 10 0.910 6.437 -1.689 1.00 0.00 C ATOM 1583 C GLY B 10 -0.570 6.154 -1.928 1.00 0.00 C ATOM 1584 O GLY B 10 -1.394 7.043 -1.758 1.00 0.00 O ATOM 0 H GLY B 10 2.447 5.086 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.016 7.374 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.413 6.569 -2.647 1.00 0.00 H new ATOM 1588 N LEU B 11 -0.922 4.927 -2.312 1.00 0.00 N ATOM 1589 CA LEU B 11 -2.298 4.512 -2.540 1.00 0.00 C ATOM 1590 C LEU B 11 -3.117 4.670 -1.256 1.00 0.00 C ATOM 1591 O LEU B 11 -4.099 5.409 -1.238 1.00 0.00 O ATOM 1592 CB LEU B 11 -2.310 3.066 -3.064 1.00 0.00 C ATOM 1593 CG LEU B 11 -3.558 2.642 -3.850 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -4.856 2.870 -3.083 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -3.593 3.268 -5.245 1.00 0.00 C ATOM 0 H LEU B 11 -0.243 4.183 -2.475 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.762 5.148 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.438 2.926 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.194 2.393 -2.215 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.479 1.563 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -5.700 2.550 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.838 2.294 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.959 3.930 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.492 2.942 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.598 4.354 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.713 2.954 -5.807 1.00 0.00 H new ATOM 1607 N LEU B 12 -2.718 3.989 -0.175 1.00 0.00 N ATOM 1608 CA LEU B 12 -3.398 4.071 1.119 1.00 0.00 C ATOM 1609 C LEU B 12 -3.556 5.532 1.541 1.00 0.00 C ATOM 1610 O LEU B 12 -4.632 5.941 1.985 1.00 0.00 O ATOM 1611 CB LEU B 12 -2.609 3.304 2.196 1.00 0.00 C ATOM 1612 CG LEU B 12 -2.844 1.786 2.203 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -2.273 1.080 0.970 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -2.203 1.169 3.452 1.00 0.00 C ATOM 0 H LEU B 12 -1.912 3.364 -0.175 1.00 0.00 H new ATOM 0 HA LEU B 12 -4.384 3.618 1.016 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.545 3.493 2.052 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.874 3.704 3.175 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.925 1.643 2.198 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.473 0.011 1.038 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.742 1.481 0.071 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.197 1.245 0.922 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.372 0.092 3.453 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -1.131 1.368 3.447 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.650 1.607 4.344 1.00 0.00 H new ATOM 1626 N ILE B 13 -2.481 6.311 1.417 1.00 0.00 N ATOM 1627 CA ILE B 13 -2.473 7.719 1.785 1.00 0.00 C ATOM 1628 C ILE B 13 -3.477 8.485 0.922 1.00 0.00 C ATOM 1629 O ILE B 13 -4.319 9.208 1.445 1.00 0.00 O ATOM 1630 CB ILE B 13 -1.044 8.275 1.653 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -0.102 7.609 2.672 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -1.019 9.790 1.873 1.00 0.00 C ATOM 1633 CD1 ILE B 13 1.369 7.750 2.267 1.00 0.00 C ATOM 0 H ILE B 13 -1.588 5.976 1.056 1.00 0.00 H new ATOM 0 HA ILE B 13 -2.780 7.840 2.824 1.00 0.00 H new ATOM 0 HB ILE B 13 -0.703 8.053 0.642 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -0.253 8.058 3.654 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -0.354 6.552 2.763 1.00 0.00 H new ATOM 0 HG21 ILE B 13 0.003 10.155 1.774 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -1.652 10.276 1.130 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.391 10.019 2.872 1.00 0.00 H new ATOM 0 HD11 ILE B 13 2.000 7.266 3.013 1.00 0.00 H new ATOM 0 HD12 ILE B 13 1.526 7.277 1.297 1.00 0.00 H new ATOM 0 HD13 ILE B 13 1.629 8.807 2.202 1.00 0.00 H new ATOM 1645 N GLY B 14 -3.403 8.316 -0.396 1.00 0.00 N ATOM 1646 CA GLY B 14 -4.285 8.955 -1.354 1.00 0.00 C ATOM 1647 C GLY B 14 -5.738 8.658 -1.011 1.00 0.00 C ATOM 1648 O GLY B 14 -6.533 9.582 -0.845 1.00 0.00 O ATOM 0 H GLY B 14 -2.706 7.713 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -4.116 10.032 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.061 8.599 -2.359 1.00 0.00 H new ATOM 1652 N ILE B 15 -6.079 7.373 -0.867 1.00 0.00 N ATOM 1653 CA ILE B 15 -7.402 6.953 -0.439 1.00 0.00 C ATOM 1654 C ILE B 15 -7.776 7.717 0.830 1.00 0.00 C ATOM 1655 O ILE B 15 -8.785 8.418 0.835 1.00 0.00 O ATOM 1656 CB ILE B 15 -7.464 5.416 -0.308 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -7.737 4.824 -1.703 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -8.542 4.967 0.683 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -7.733 3.293 -1.729 1.00 0.00 C ATOM 0 H ILE B 15 -5.439 6.600 -1.046 1.00 0.00 H new ATOM 0 HA ILE B 15 -8.155 7.201 -1.186 1.00 0.00 H new ATOM 0 HB ILE B 15 -6.512 5.056 0.081 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -8.703 5.183 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -6.984 5.193 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -8.550 3.879 0.743 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -8.328 5.384 1.667 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -9.517 5.319 0.345 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -7.932 2.946 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -6.759 2.926 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -8.505 2.916 -1.058 1.00 0.00 H new ATOM 1671 N PHE B 16 -6.951 7.633 1.878 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.228 8.328 3.128 1.00 0.00 C ATOM 1673 C PHE B 16 -7.571 9.795 2.863 1.00 0.00 C ATOM 1674 O PHE B 16 -8.631 10.263 3.264 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.040 8.212 4.089 1.00 0.00 C ATOM 1676 CG PHE B 16 -6.315 8.734 5.485 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -6.880 7.888 6.454 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.037 10.074 5.811 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -7.061 8.343 7.771 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -6.264 10.545 7.113 1.00 0.00 C ATOM 1681 CZ PHE B 16 -6.740 9.670 8.104 1.00 0.00 C ATOM 0 H PHE B 16 -6.088 7.090 1.881 1.00 0.00 H new ATOM 0 HA PHE B 16 -8.090 7.855 3.598 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.743 7.165 4.157 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -5.194 8.757 3.670 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -7.176 6.885 6.186 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -5.648 10.742 5.057 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -7.446 7.674 8.526 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -6.073 11.580 7.354 1.00 0.00 H new ATOM 0 HZ PHE B 16 -6.859 10.017 9.120 1.00 0.00 H new ATOM 1691 N HIS B 17 -6.689 10.516 2.167 1.00 0.00 N ATOM 1692 CA HIS B 17 -6.818 11.949 1.955 1.00 0.00 C ATOM 1693 C HIS B 17 -7.908 12.342 0.958 1.00 0.00 C ATOM 1694 O HIS B 17 -8.320 13.495 0.963 1.00 0.00 O ATOM 1695 CB HIS B 17 -5.456 12.575 1.638 1.00 0.00 C ATOM 1696 CG HIS B 17 -4.665 12.813 2.898 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -4.784 13.912 3.719 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -3.843 11.918 3.528 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -4.041 13.683 4.813 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -3.459 12.473 4.753 1.00 0.00 N ATOM 0 H HIS B 17 -5.859 10.112 1.733 1.00 0.00 H new ATOM 0 HA HIS B 17 -7.167 12.371 2.897 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -4.896 11.919 0.972 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -5.599 13.518 1.111 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -5.337 14.748 3.530 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -3.544 10.953 3.146 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -3.926 14.378 5.632 1.00 0.00 H new ATOM 1708 N LYS B 18 -8.420 11.436 0.120 1.00 0.00 N ATOM 1709 CA LYS B 18 -9.625 11.761 -0.641 1.00 0.00 C ATOM 1710 C LYS B 18 -10.767 12.024 0.344 1.00 0.00 C ATOM 1711 O LYS B 18 -11.455 13.041 0.270 1.00 0.00 O ATOM 1712 CB LYS B 18 -9.991 10.627 -1.608 1.00 0.00 C ATOM 1713 CG LYS B 18 -9.049 10.586 -2.815 1.00 0.00 C ATOM 1714 CD LYS B 18 -9.329 9.336 -3.656 1.00 0.00 C ATOM 1715 CE LYS B 18 -8.334 9.236 -4.817 1.00 0.00 C ATOM 1716 NZ LYS B 18 -8.576 8.030 -5.628 1.00 0.00 N ATOM 0 H LYS B 18 -8.035 10.506 -0.044 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.444 12.651 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.951 9.673 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.017 10.758 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -9.184 11.481 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.012 10.583 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -9.258 8.446 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.347 9.372 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -8.416 10.122 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -7.317 9.216 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -7.887 7.991 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -8.474 7.184 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -9.539 8.063 -6.020 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.961 11.094 1.277 1.00 0.00 N ATOM 1731 CA TYR B 19 -12.012 11.162 2.278 1.00 0.00 C ATOM 1732 C TYR B 19 -11.667 12.250 3.301 1.00 0.00 C ATOM 1733 O TYR B 19 -12.414 13.221 3.444 1.00 0.00 O ATOM 1734 CB TYR B 19 -12.236 9.745 2.813 1.00 0.00 C ATOM 1735 CG TYR B 19 -12.895 8.871 1.761 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -12.090 8.149 0.864 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -14.272 8.997 1.497 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -12.619 7.659 -0.337 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -14.818 8.456 0.320 1.00 0.00 C ATOM 1740 CZ TYR B 19 -13.985 7.816 -0.613 1.00 0.00 C ATOM 1741 OH TYR B 19 -14.503 7.318 -1.767 1.00 0.00 O ATOM 0 H TYR B 19 -10.380 10.260 1.356 1.00 0.00 H new ATOM 0 HA TYR B 19 -12.978 11.478 1.883 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -11.282 9.308 3.110 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -12.861 9.783 3.705 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -11.052 7.970 1.103 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -14.911 9.511 2.200 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -11.977 7.162 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -15.879 8.532 0.133 1.00 0.00 H new ATOM 0 HH TYR B 19 -14.013 6.509 -2.023 1.00 0.00 H new ATOM 1751 N SER B 20 -10.498 12.161 3.940 1.00 0.00 N ATOM 1752 CA SER B 20 -9.905 13.232 4.735 1.00 0.00 C ATOM 1753 C SER B 20 -9.345 14.305 3.795 1.00 0.00 C ATOM 1754 O SER B 20 -8.147 14.584 3.789 1.00 0.00 O ATOM 1755 CB SER B 20 -8.805 12.668 5.639 1.00 0.00 C ATOM 1756 OG SER B 20 -9.345 11.705 6.515 1.00 0.00 O ATOM 0 H SER B 20 -9.925 11.318 3.916 1.00 0.00 H new ATOM 0 HA SER B 20 -10.666 13.683 5.372 1.00 0.00 H new ATOM 0 HB2 SER B 20 -8.019 12.219 5.032 1.00 0.00 H new ATOM 0 HB3 SER B 20 -8.345 13.474 6.211 1.00 0.00 H new ATOM 0 HG SER B 20 -9.530 12.120 7.383 1.00 0.00 H new ATOM 1762 N GLY B 21 -10.249 14.877 3.004 1.00 0.00 N ATOM 1763 CA GLY B 21 -10.072 15.922 2.011 1.00 0.00 C ATOM 1764 C GLY B 21 -11.480 16.421 1.717 1.00 0.00 C ATOM 1765 O GLY B 21 -11.774 17.602 1.883 1.00 0.00 O ATOM 0 H GLY B 21 -11.225 14.586 3.052 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -9.439 16.724 2.390 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -9.593 15.536 1.111 1.00 0.00 H new ATOM 1847 N HIS B 27 -5.705 14.843 9.166 1.00 0.00 N ATOM 1848 CA HIS B 27 -4.956 13.606 9.379 1.00 0.00 C ATOM 1849 C HIS B 27 -5.800 12.605 10.178 1.00 0.00 C ATOM 1850 O HIS B 27 -5.279 11.646 10.753 1.00 0.00 O ATOM 1851 CB HIS B 27 -3.623 13.925 10.065 1.00 0.00 C ATOM 1852 CG HIS B 27 -2.767 14.860 9.251 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.388 16.136 9.601 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -2.279 14.614 7.996 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.676 16.639 8.579 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.577 15.748 7.578 1.00 0.00 N ATOM 0 HA HIS B 27 -4.731 13.138 8.421 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -3.817 14.371 11.040 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -3.077 12.998 10.241 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -2.413 13.705 7.429 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -1.241 17.627 8.564 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -1.088 15.874 6.692 1.00 0.00 H new ATOM 1864 N THR B 28 -7.114 12.833 10.198 1.00 0.00 N ATOM 1865 CA THR B 28 -8.113 12.031 10.871 1.00 0.00 C ATOM 1866 C THR B 28 -9.270 11.841 9.898 1.00 0.00 C ATOM 1867 O THR B 28 -9.511 12.712 9.062 1.00 0.00 O ATOM 1868 CB THR B 28 -8.561 12.719 12.170 1.00 0.00 C ATOM 1869 OG1 THR B 28 -9.085 14.004 11.900 1.00 0.00 O ATOM 1870 CG2 THR B 28 -7.409 12.877 13.163 1.00 0.00 C ATOM 0 H THR B 28 -7.524 13.632 9.714 1.00 0.00 H new ATOM 0 HA THR B 28 -7.713 11.058 11.157 1.00 0.00 H new ATOM 0 HB THR B 28 -9.326 12.079 12.609 1.00 0.00 H new ATOM 0 HG1 THR B 28 -10.055 13.943 11.778 1.00 0.00 H new ATOM 0 HG21 THR B 28 -7.772 13.368 14.066 1.00 0.00 H new ATOM 0 HG22 THR B 28 -7.012 11.895 13.419 1.00 0.00 H new ATOM 0 HG23 THR B 28 -6.621 13.481 12.713 1.00 0.00 H new ATOM 1878 N LEU B 29 -9.955 10.702 9.978 1.00 0.00 N ATOM 1879 CA LEU B 29 -11.034 10.338 9.071 1.00 0.00 C ATOM 1880 C LEU B 29 -12.225 9.918 9.927 1.00 0.00 C ATOM 1881 O LEU B 29 -12.063 9.091 10.823 1.00 0.00 O ATOM 1882 CB LEU B 29 -10.517 9.226 8.150 1.00 0.00 C ATOM 1883 CG LEU B 29 -11.198 9.153 6.778 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -10.256 8.411 5.828 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -12.527 8.407 6.830 1.00 0.00 C ATOM 0 H LEU B 29 -9.770 9.995 10.690 1.00 0.00 H new ATOM 0 HA LEU B 29 -11.360 11.159 8.432 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.446 9.367 8.001 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -10.645 8.268 8.654 1.00 0.00 H new ATOM 0 HG LEU B 29 -11.404 10.169 6.441 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -10.714 8.343 4.841 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.313 8.953 5.754 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -10.069 7.408 6.211 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -12.970 8.383 5.834 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -12.359 7.388 7.177 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -13.204 8.917 7.516 1.00 0.00 H new ATOM 1897 N SER B 30 -13.398 10.526 9.720 1.00 0.00 N ATOM 1898 CA SER B 30 -14.512 10.349 10.639 1.00 0.00 C ATOM 1899 C SER B 30 -15.238 9.025 10.420 1.00 0.00 C ATOM 1900 O SER B 30 -15.122 8.406 9.366 1.00 0.00 O ATOM 1901 CB SER B 30 -15.468 11.543 10.561 1.00 0.00 C ATOM 1902 OG SER B 30 -16.090 11.598 9.295 1.00 0.00 O ATOM 0 H SER B 30 -13.594 11.139 8.929 1.00 0.00 H new ATOM 0 HA SER B 30 -14.103 10.308 11.649 1.00 0.00 H new ATOM 0 HB2 SER B 30 -16.225 11.462 11.341 1.00 0.00 H new ATOM 0 HB3 SER B 30 -14.920 12.467 10.744 1.00 0.00 H new ATOM 0 HG SER B 30 -16.699 12.365 9.263 1.00 0.00 H new ATOM 1908 N LYS B 31 -15.992 8.589 11.430 1.00 0.00 N ATOM 1909 CA LYS B 31 -16.646 7.292 11.459 1.00 0.00 C ATOM 1910 C LYS B 31 -17.516 7.053 10.215 1.00 0.00 C ATOM 1911 O LYS B 31 -17.378 6.047 9.522 1.00 0.00 O ATOM 1912 CB LYS B 31 -17.394 7.165 12.800 1.00 0.00 C ATOM 1913 CG LYS B 31 -18.578 8.132 12.960 1.00 0.00 C ATOM 1914 CD LYS B 31 -18.996 8.367 14.419 1.00 0.00 C ATOM 1915 CE LYS B 31 -19.374 7.102 15.201 1.00 0.00 C ATOM 1916 NZ LYS B 31 -18.197 6.415 15.767 1.00 0.00 N ATOM 0 H LYS B 31 -16.165 9.145 12.267 1.00 0.00 H new ATOM 0 HA LYS B 31 -15.909 6.490 11.409 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -17.759 6.143 12.903 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -16.689 7.336 13.613 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -18.317 9.089 12.508 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -19.431 7.741 12.406 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -18.178 8.866 14.939 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -19.845 9.050 14.432 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -20.058 7.368 16.007 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -19.908 6.417 14.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.483 5.870 16.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.796 5.771 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.482 7.119 16.039 1.00 0.00 H new ATOM 1930 N LYS B 32 -18.403 7.993 9.893 1.00 0.00 N ATOM 1931 CA LYS B 32 -19.288 7.845 8.742 1.00 0.00 C ATOM 1932 C LYS B 32 -18.496 7.996 7.437 1.00 0.00 C ATOM 1933 O LYS B 32 -18.690 7.226 6.495 1.00 0.00 O ATOM 1934 CB LYS B 32 -20.473 8.812 8.869 1.00 0.00 C ATOM 1935 CG LYS B 32 -21.326 8.958 7.598 1.00 0.00 C ATOM 1936 CD LYS B 32 -21.952 7.634 7.141 1.00 0.00 C ATOM 1937 CE LYS B 32 -22.730 7.841 5.837 1.00 0.00 C ATOM 1938 NZ LYS B 32 -23.297 6.574 5.343 1.00 0.00 N ATOM 0 H LYS B 32 -18.527 8.862 10.412 1.00 0.00 H new ATOM 0 HA LYS B 32 -19.712 6.841 8.717 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -21.114 8.474 9.683 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -20.093 9.794 9.150 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -22.118 9.684 7.780 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -20.706 9.357 6.795 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -21.173 6.886 6.994 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -22.618 7.252 7.914 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -23.532 8.561 6.000 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -22.070 8.265 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -23.817 6.748 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -22.529 5.896 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -23.946 6.183 6.056 1.00 0.00 H new ATOM 1952 N GLU B 33 -17.582 8.971 7.375 1.00 0.00 N ATOM 1953 CA GLU B 33 -16.750 9.155 6.194 1.00 0.00 C ATOM 1954 C GLU B 33 -15.962 7.870 5.898 1.00 0.00 C ATOM 1955 O GLU B 33 -15.801 7.485 4.742 1.00 0.00 O ATOM 1956 CB GLU B 33 -15.841 10.376 6.392 1.00 0.00 C ATOM 1957 CG GLU B 33 -15.155 10.788 5.085 1.00 0.00 C ATOM 1958 CD GLU B 33 -16.087 11.571 4.167 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -16.120 12.811 4.317 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -16.755 10.917 3.336 1.00 0.00 O ATOM 0 H GLU B 33 -17.405 9.638 8.126 1.00 0.00 H new ATOM 0 HA GLU B 33 -17.373 9.350 5.321 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -16.430 11.210 6.773 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -15.085 10.149 7.144 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -14.278 11.394 5.312 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -14.801 9.897 4.566 1.00 0.00 H new ATOM 1967 N LEU B 34 -15.503 7.176 6.941 1.00 0.00 N ATOM 1968 CA LEU B 34 -14.862 5.881 6.808 1.00 0.00 C ATOM 1969 C LEU B 34 -15.815 4.905 6.121 1.00 0.00 C ATOM 1970 O LEU B 34 -15.429 4.254 5.151 1.00 0.00 O ATOM 1971 CB LEU B 34 -14.365 5.404 8.183 1.00 0.00 C ATOM 1972 CG LEU B 34 -13.752 3.995 8.229 1.00 0.00 C ATOM 1973 CD1 LEU B 34 -14.826 2.896 8.202 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -12.695 3.798 7.132 1.00 0.00 C ATOM 0 H LEU B 34 -15.569 7.505 7.904 1.00 0.00 H new ATOM 0 HA LEU B 34 -13.980 5.948 6.171 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -13.621 6.114 8.544 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -15.202 5.437 8.881 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.238 3.903 9.186 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -14.346 1.918 8.236 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -15.483 3.008 9.064 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -15.411 2.982 7.286 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -12.286 2.790 7.198 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.155 3.940 6.154 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -11.893 4.525 7.264 1.00 0.00 H new ATOM 1986 N LYS B 35 -17.064 4.792 6.584 1.00 0.00 N ATOM 1987 CA LYS B 35 -18.010 3.920 5.896 1.00 0.00 C ATOM 1988 C LYS B 35 -18.093 4.285 4.412 1.00 0.00 C ATOM 1989 O LYS B 35 -18.120 3.397 3.564 1.00 0.00 O ATOM 1990 CB LYS B 35 -19.414 3.963 6.498 1.00 0.00 C ATOM 1991 CG LYS B 35 -19.471 3.647 7.993 1.00 0.00 C ATOM 1992 CD LYS B 35 -20.928 3.625 8.473 1.00 0.00 C ATOM 1993 CE LYS B 35 -21.684 2.371 8.016 1.00 0.00 C ATOM 1994 NZ LYS B 35 -23.085 2.422 8.468 1.00 0.00 N ATOM 0 H LYS B 35 -17.431 5.276 7.403 1.00 0.00 H new ATOM 0 HA LYS B 35 -17.629 2.906 6.018 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -19.837 4.954 6.332 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -20.047 3.253 5.965 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.002 2.682 8.187 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.907 4.394 8.552 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -20.948 3.680 9.561 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -21.442 4.510 8.100 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -21.649 2.293 6.929 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -21.199 1.480 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -23.523 1.486 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -23.116 2.694 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -23.607 3.122 7.903 1.00 0.00 H new ATOM 2008 N GLU B 36 -18.123 5.585 4.099 1.00 0.00 N ATOM 2009 CA GLU B 36 -18.128 6.052 2.718 1.00 0.00 C ATOM 2010 C GLU B 36 -16.895 5.531 1.962 1.00 0.00 C ATOM 2011 O GLU B 36 -17.034 4.953 0.884 1.00 0.00 O ATOM 2012 CB GLU B 36 -18.238 7.587 2.678 1.00 0.00 C ATOM 2013 CG GLU B 36 -18.810 8.092 1.346 1.00 0.00 C ATOM 2014 CD GLU B 36 -20.273 7.696 1.157 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -21.076 8.032 2.054 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -20.560 7.056 0.122 1.00 0.00 O ATOM 0 H GLU B 36 -18.144 6.333 4.792 1.00 0.00 H new ATOM 0 HA GLU B 36 -19.002 5.650 2.206 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -18.874 7.926 3.496 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -17.253 8.025 2.838 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -18.721 9.178 1.303 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -18.218 7.691 0.523 1.00 0.00 H new ATOM 2023 N LEU B 37 -15.699 5.713 2.537 1.00 0.00 N ATOM 2024 CA LEU B 37 -14.439 5.212 1.984 1.00 0.00 C ATOM 2025 C LEU B 37 -14.588 3.734 1.641 1.00 0.00 C ATOM 2026 O LEU B 37 -14.349 3.312 0.507 1.00 0.00 O ATOM 2027 CB LEU B 37 -13.292 5.501 2.984 1.00 0.00 C ATOM 2028 CG LEU B 37 -11.871 5.030 2.604 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -10.814 5.799 3.410 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -11.630 3.546 2.906 1.00 0.00 C ATOM 0 H LEU B 37 -15.580 6.221 3.414 1.00 0.00 H new ATOM 0 HA LEU B 37 -14.186 5.724 1.056 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -13.255 6.578 3.150 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -13.554 5.041 3.937 1.00 0.00 H new ATOM 0 HG LEU B 37 -11.788 5.209 1.532 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -9.819 5.453 3.129 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -10.901 6.865 3.200 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -10.971 5.625 4.475 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -10.614 3.276 2.617 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -11.764 3.365 3.973 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -12.340 2.940 2.343 1.00 0.00 H new ATOM 2042 N ILE B 38 -15.012 2.945 2.628 1.00 0.00 N ATOM 2043 CA ILE B 38 -15.166 1.514 2.462 1.00 0.00 C ATOM 2044 C ILE B 38 -16.164 1.220 1.355 1.00 0.00 C ATOM 2045 O ILE B 38 -15.797 0.576 0.384 1.00 0.00 O ATOM 2046 CB ILE B 38 -15.536 0.858 3.799 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -14.320 1.021 4.721 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -15.907 -0.627 3.655 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -14.542 0.351 6.065 1.00 0.00 C ATOM 0 H ILE B 38 -15.255 3.285 3.558 1.00 0.00 H new ATOM 0 HA ILE B 38 -14.217 1.075 2.154 1.00 0.00 H new ATOM 0 HB ILE B 38 -16.423 1.342 4.207 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -13.440 0.593 4.242 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -14.117 2.081 4.872 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -16.159 -1.036 4.634 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -16.764 -0.725 2.989 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -15.061 -1.175 3.240 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -13.660 0.488 6.690 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -15.407 0.797 6.556 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -14.719 -0.714 5.916 1.00 0.00 H new ATOM 2061 N GLN B 39 -17.409 1.678 1.466 1.00 0.00 N ATOM 2062 CA GLN B 39 -18.410 1.386 0.451 1.00 0.00 C ATOM 2063 C GLN B 39 -17.904 1.759 -0.944 1.00 0.00 C ATOM 2064 O GLN B 39 -18.145 1.013 -1.895 1.00 0.00 O ATOM 2065 CB GLN B 39 -19.733 2.091 0.782 1.00 0.00 C ATOM 2066 CG GLN B 39 -20.431 1.473 2.004 1.00 0.00 C ATOM 2067 CD GLN B 39 -20.928 0.045 1.764 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -21.176 -0.365 0.635 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -21.087 -0.729 2.833 1.00 0.00 N ATOM 0 H GLN B 39 -17.744 2.248 2.243 1.00 0.00 H new ATOM 0 HA GLN B 39 -18.596 0.312 0.449 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -19.542 3.148 0.971 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -20.398 2.036 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -19.739 1.472 2.846 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -21.276 2.101 2.286 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -20.874 -0.366 3.762 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -21.422 -1.686 2.724 1.00 0.00 H new ATOM 2078 N LYS B 40 -17.197 2.889 -1.080 1.00 0.00 N ATOM 2079 CA LYS B 40 -16.770 3.334 -2.393 1.00 0.00 C ATOM 2080 C LYS B 40 -15.635 2.483 -2.956 1.00 0.00 C ATOM 2081 O LYS B 40 -15.736 2.012 -4.089 1.00 0.00 O ATOM 2082 CB LYS B 40 -16.445 4.831 -2.363 1.00 0.00 C ATOM 2083 CG LYS B 40 -16.150 5.422 -3.752 1.00 0.00 C ATOM 2084 CD LYS B 40 -17.248 5.195 -4.802 1.00 0.00 C ATOM 2085 CE LYS B 40 -18.612 5.726 -4.343 1.00 0.00 C ATOM 2086 NZ LYS B 40 -19.619 5.604 -5.410 1.00 0.00 N ATOM 0 H LYS B 40 -16.918 3.494 -0.308 1.00 0.00 H new ATOM 0 HA LYS B 40 -17.597 3.193 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -17.283 5.368 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -15.583 4.995 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -15.986 6.494 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -15.220 4.992 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -16.964 5.686 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -17.329 4.129 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -18.942 5.174 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -18.517 6.771 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -20.531 5.971 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -19.313 6.151 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -19.725 4.604 -5.674 1.00 0.00 H new ATOM 2100 N GLU B 41 -14.541 2.306 -2.210 1.00 0.00 N ATOM 2101 CA GLU B 41 -13.465 1.452 -2.694 1.00 0.00 C ATOM 2102 C GLU B 41 -13.805 -0.010 -2.415 1.00 0.00 C ATOM 2103 O GLU B 41 -14.000 -0.819 -3.317 1.00 0.00 O ATOM 2104 CB GLU B 41 -12.112 1.867 -2.102 1.00 0.00 C ATOM 2105 CG GLU B 41 -11.640 3.217 -2.669 1.00 0.00 C ATOM 2106 CD GLU B 41 -12.286 4.411 -1.975 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -12.003 4.570 -0.772 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -13.017 5.166 -2.656 1.00 0.00 O ATOM 0 H GLU B 41 -14.383 2.730 -1.296 1.00 0.00 H new ATOM 0 HA GLU B 41 -13.370 1.573 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -12.194 1.935 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -11.368 1.100 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -10.557 3.288 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -11.866 3.257 -3.735 1.00 0.00 H new ATOM 2115 N LEU B 42 -13.886 -0.358 -1.139 1.00 0.00 N ATOM 2116 CA LEU B 42 -14.076 -1.729 -0.689 1.00 0.00 C ATOM 2117 C LEU B 42 -15.563 -2.080 -0.751 1.00 0.00 C ATOM 2118 O LEU B 42 -16.191 -2.356 0.270 1.00 0.00 O ATOM 2119 CB LEU B 42 -13.507 -1.906 0.728 1.00 0.00 C ATOM 2120 CG LEU B 42 -11.995 -1.665 0.852 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -11.591 -1.823 2.323 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -11.188 -2.650 -0.003 1.00 0.00 C ATOM 0 H LEU B 42 -13.821 0.315 -0.375 1.00 0.00 H new ATOM 0 HA LEU B 42 -13.536 -2.413 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -14.026 -1.222 1.400 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -13.728 -2.917 1.069 1.00 0.00 H new ATOM 0 HG LEU B 42 -11.778 -0.659 0.494 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -10.519 -1.655 2.426 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -12.132 -1.097 2.929 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -11.834 -2.830 2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -10.124 -2.445 0.113 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -11.399 -3.670 0.320 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -11.467 -2.536 -1.050 1.00 0.00 H new ATOM 2243 N ASP B 50 -23.976 -3.957 6.802 1.00 0.00 N ATOM 2244 CA ASP B 50 -23.891 -2.767 7.623 1.00 0.00 C ATOM 2245 C ASP B 50 -23.391 -3.055 9.021 1.00 0.00 C ATOM 2246 O ASP B 50 -22.474 -2.386 9.474 1.00 0.00 O ATOM 2247 CB ASP B 50 -25.239 -2.046 7.646 1.00 0.00 C ATOM 2248 CG ASP B 50 -25.153 -0.758 8.457 1.00 0.00 C ATOM 2249 OD1 ASP B 50 -24.815 0.273 7.838 1.00 0.00 O ATOM 2250 OD2 ASP B 50 -25.413 -0.832 9.678 1.00 0.00 O ATOM 0 HA ASP B 50 -23.149 -2.109 7.170 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -25.552 -1.819 6.627 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -25.999 -2.700 8.074 1.00 0.00 H new ATOM 2255 N ALA B 51 -23.978 -4.050 9.683 1.00 0.00 N ATOM 2256 CA ALA B 51 -23.576 -4.437 11.031 1.00 0.00 C ATOM 2257 C ALA B 51 -22.063 -4.666 11.099 1.00 0.00 C ATOM 2258 O ALA B 51 -21.381 -4.168 11.998 1.00 0.00 O ATOM 2259 CB ALA B 51 -24.342 -5.694 11.453 1.00 0.00 C ATOM 0 H ALA B 51 -24.742 -4.608 9.301 1.00 0.00 H new ATOM 0 HA ALA B 51 -23.819 -3.630 11.722 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -24.041 -5.982 12.460 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -25.413 -5.490 11.439 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -24.118 -6.506 10.761 1.00 0.00 H new ATOM 2265 N GLU B 52 -21.532 -5.395 10.116 1.00 0.00 N ATOM 2266 CA GLU B 52 -20.116 -5.698 10.050 1.00 0.00 C ATOM 2267 C GLU B 52 -19.356 -4.395 9.813 1.00 0.00 C ATOM 2268 O GLU B 52 -18.361 -4.127 10.489 1.00 0.00 O ATOM 2269 CB GLU B 52 -19.823 -6.738 8.956 1.00 0.00 C ATOM 2270 CG GLU B 52 -20.434 -8.121 9.248 1.00 0.00 C ATOM 2271 CD GLU B 52 -21.962 -8.151 9.247 1.00 0.00 C ATOM 2272 OE1 GLU B 52 -22.554 -7.458 8.389 1.00 0.00 O ATOM 2273 OE2 GLU B 52 -22.516 -8.861 10.112 1.00 0.00 O ATOM 0 H GLU B 52 -22.077 -5.788 9.348 1.00 0.00 H new ATOM 0 HA GLU B 52 -19.786 -6.140 10.990 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -20.209 -6.372 8.004 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -18.744 -6.842 8.844 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -20.069 -8.830 8.505 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -20.077 -8.464 10.219 1.00 0.00 H new ATOM 2280 N ILE B 53 -19.841 -3.572 8.875 1.00 0.00 N ATOM 2281 CA ILE B 53 -19.205 -2.292 8.600 1.00 0.00 C ATOM 2282 C ILE B 53 -19.153 -1.437 9.865 1.00 0.00 C ATOM 2283 O ILE B 53 -18.105 -0.868 10.134 1.00 0.00 O ATOM 2284 CB ILE B 53 -19.835 -1.545 7.407 1.00 0.00 C ATOM 2285 CG1 ILE B 53 -19.920 -2.394 6.127 1.00 0.00 C ATOM 2286 CG2 ILE B 53 -19.029 -0.276 7.092 1.00 0.00 C ATOM 2287 CD1 ILE B 53 -18.685 -3.259 5.857 1.00 0.00 C ATOM 0 H ILE B 53 -20.662 -3.772 8.304 1.00 0.00 H new ATOM 0 HA ILE B 53 -18.180 -2.500 8.293 1.00 0.00 H new ATOM 0 HB ILE B 53 -20.853 -1.301 7.712 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -20.794 -3.041 6.193 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -20.077 -1.731 5.276 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -19.483 0.243 6.248 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -19.027 0.379 7.963 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -18.004 -0.549 6.841 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -18.831 -3.824 4.936 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -17.808 -2.620 5.756 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -18.536 -3.950 6.687 1.00 0.00 H new ATOM 2299 N VAL B 54 -20.230 -1.326 10.650 1.00 0.00 N ATOM 2300 CA VAL B 54 -20.212 -0.474 11.833 1.00 0.00 C ATOM 2301 C VAL B 54 -19.361 -1.060 12.961 1.00 0.00 C ATOM 2302 O VAL B 54 -18.721 -0.300 13.686 1.00 0.00 O ATOM 2303 CB VAL B 54 -21.598 0.006 12.288 1.00 0.00 C ATOM 2304 CG1 VAL B 54 -22.165 0.974 11.241 1.00 0.00 C ATOM 2305 CG2 VAL B 54 -22.589 -1.112 12.615 1.00 0.00 C ATOM 0 H VAL B 54 -21.112 -1.811 10.487 1.00 0.00 H new ATOM 0 HA VAL B 54 -19.710 0.442 11.522 1.00 0.00 H new ATOM 0 HB VAL B 54 -21.455 0.519 13.239 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -23.149 1.318 11.559 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -21.498 1.829 11.137 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -22.252 0.463 10.282 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -23.539 -0.677 12.927 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -22.746 -1.730 11.731 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -22.190 -1.728 13.421 1.00 0.00 H new ATOM 2315 N LYS B 55 -19.296 -2.387 13.109 1.00 0.00 N ATOM 2316 CA LYS B 55 -18.328 -2.983 14.028 1.00 0.00 C ATOM 2317 C LYS B 55 -16.909 -2.581 13.608 1.00 0.00 C ATOM 2318 O LYS B 55 -16.147 -2.005 14.386 1.00 0.00 O ATOM 2319 CB LYS B 55 -18.525 -4.506 14.083 1.00 0.00 C ATOM 2320 CG LYS B 55 -17.426 -5.261 14.848 1.00 0.00 C ATOM 2321 CD LYS B 55 -17.168 -4.702 16.255 1.00 0.00 C ATOM 2322 CE LYS B 55 -16.153 -5.579 16.995 1.00 0.00 C ATOM 2323 NZ LYS B 55 -15.655 -4.912 18.210 1.00 0.00 N ATOM 0 H LYS B 55 -19.889 -3.054 12.615 1.00 0.00 H new ATOM 0 HA LYS B 55 -18.485 -2.608 15.039 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -19.487 -4.719 14.549 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -18.572 -4.891 13.064 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -17.706 -6.311 14.928 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -16.500 -5.220 14.274 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -16.794 -3.680 16.185 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -18.102 -4.662 16.815 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -16.617 -6.528 17.263 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -15.317 -5.808 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -15.207 -5.614 18.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -14.957 -4.187 17.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -16.449 -4.463 18.710 1.00 0.00 H new ATOM 2337 N LEU B 56 -16.557 -2.863 12.354 1.00 0.00 N ATOM 2338 CA LEU B 56 -15.264 -2.508 11.790 1.00 0.00 C ATOM 2339 C LEU B 56 -14.982 -1.005 11.956 1.00 0.00 C ATOM 2340 O LEU B 56 -13.894 -0.604 12.369 1.00 0.00 O ATOM 2341 CB LEU B 56 -15.256 -2.988 10.335 1.00 0.00 C ATOM 2342 CG LEU B 56 -14.058 -2.484 9.524 1.00 0.00 C ATOM 2343 CD1 LEU B 56 -13.563 -3.584 8.577 1.00 0.00 C ATOM 2344 CD2 LEU B 56 -14.474 -1.278 8.685 1.00 0.00 C ATOM 0 H LEU B 56 -17.170 -3.349 11.699 1.00 0.00 H new ATOM 0 HA LEU B 56 -14.447 -2.998 12.320 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.259 -4.078 10.322 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -16.175 -2.661 9.849 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.264 -2.206 10.216 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -12.711 -3.216 8.005 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -13.261 -4.455 9.158 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -14.365 -3.864 7.894 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -13.619 -0.923 8.110 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.275 -1.567 8.004 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.826 -0.482 9.341 1.00 0.00 H new ATOM 2356 N MET B 57 -15.980 -0.173 11.660 1.00 0.00 N ATOM 2357 CA MET B 57 -15.923 1.272 11.791 1.00 0.00 C ATOM 2358 C MET B 57 -15.598 1.619 13.235 1.00 0.00 C ATOM 2359 O MET B 57 -14.692 2.408 13.464 1.00 0.00 O ATOM 2360 CB MET B 57 -17.270 1.877 11.387 1.00 0.00 C ATOM 2361 CG MET B 57 -17.343 3.404 11.465 1.00 0.00 C ATOM 2362 SD MET B 57 -19.026 4.077 11.553 1.00 0.00 S ATOM 2363 CE MET B 57 -19.546 3.540 13.200 1.00 0.00 C ATOM 0 H MET B 57 -16.879 -0.504 11.311 1.00 0.00 H new ATOM 0 HA MET B 57 -15.151 1.679 11.139 1.00 0.00 H new ATOM 0 HB2 MET B 57 -17.498 1.569 10.367 1.00 0.00 H new ATOM 0 HB3 MET B 57 -18.046 1.458 12.027 1.00 0.00 H new ATOM 0 HG2 MET B 57 -16.787 3.737 12.341 1.00 0.00 H new ATOM 0 HG3 MET B 57 -16.843 3.823 10.592 1.00 0.00 H new ATOM 0 HE1 MET B 57 -20.415 4.118 13.514 1.00 0.00 H new ATOM 0 HE2 MET B 57 -19.805 2.482 13.173 1.00 0.00 H new ATOM 0 HE3 MET B 57 -18.732 3.696 13.908 1.00 0.00 H new ATOM 2373 N ASP B 58 -16.315 1.041 14.203 1.00 0.00 N ATOM 2374 CA ASP B 58 -16.013 1.245 15.611 1.00 0.00 C ATOM 2375 C ASP B 58 -14.551 0.904 15.877 1.00 0.00 C ATOM 2376 O ASP B 58 -13.839 1.679 16.504 1.00 0.00 O ATOM 2377 CB ASP B 58 -16.946 0.432 16.514 1.00 0.00 C ATOM 2378 CG ASP B 58 -16.620 0.680 17.984 1.00 0.00 C ATOM 2379 OD1 ASP B 58 -15.693 0.008 18.489 1.00 0.00 O ATOM 2380 OD2 ASP B 58 -17.302 1.539 18.582 1.00 0.00 O ATOM 0 H ASP B 58 -17.111 0.427 14.030 1.00 0.00 H new ATOM 0 HA ASP B 58 -16.180 2.295 15.851 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -17.982 0.704 16.315 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -16.846 -0.630 16.288 1.00 0.00 H new ATOM 2385 N ASP B 59 -14.091 -0.250 15.392 1.00 0.00 N ATOM 2386 CA ASP B 59 -12.722 -0.684 15.640 1.00 0.00 C ATOM 2387 C ASP B 59 -11.697 0.297 15.068 1.00 0.00 C ATOM 2388 O ASP B 59 -10.667 0.543 15.693 1.00 0.00 O ATOM 2389 CB ASP B 59 -12.487 -2.105 15.109 1.00 0.00 C ATOM 2390 CG ASP B 59 -13.460 -3.138 15.674 1.00 0.00 C ATOM 2391 OD1 ASP B 59 -13.789 -3.033 16.876 1.00 0.00 O ATOM 2392 OD2 ASP B 59 -13.849 -4.033 14.891 1.00 0.00 O ATOM 0 H ASP B 59 -14.645 -0.895 14.829 1.00 0.00 H new ATOM 0 HA ASP B 59 -12.581 -0.700 16.721 1.00 0.00 H new ATOM 0 HB2 ASP B 59 -12.570 -2.096 14.022 1.00 0.00 H new ATOM 0 HB3 ASP B 59 -11.468 -2.409 15.348 1.00 0.00 H new ATOM 2397 N LEU B 60 -11.970 0.869 13.896 1.00 0.00 N ATOM 2398 CA LEU B 60 -11.172 1.961 13.354 1.00 0.00 C ATOM 2399 C LEU B 60 -11.303 3.208 14.242 1.00 0.00 C ATOM 2400 O LEU B 60 -10.334 3.654 14.859 1.00 0.00 O ATOM 2401 CB LEU B 60 -11.605 2.220 11.894 1.00 0.00 C ATOM 2402 CG LEU B 60 -10.940 1.262 10.889 1.00 0.00 C ATOM 2403 CD1 LEU B 60 -11.799 1.056 9.642 1.00 0.00 C ATOM 2404 CD2 LEU B 60 -9.599 1.821 10.396 1.00 0.00 C ATOM 0 H LEU B 60 -12.748 0.588 13.300 1.00 0.00 H new ATOM 0 HA LEU B 60 -10.115 1.695 13.348 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -12.688 2.121 11.819 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -11.359 3.247 11.625 1.00 0.00 H new ATOM 0 HG LEU B 60 -10.808 0.322 11.424 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.292 0.373 8.960 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.762 0.634 9.929 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.956 2.014 9.146 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -9.152 1.123 9.688 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -9.763 2.781 9.906 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -8.928 1.957 11.244 1.00 0.00 H new ATOM 2416 N ASP B 61 -12.498 3.797 14.286 1.00 0.00 N ATOM 2417 CA ASP B 61 -12.748 5.094 14.895 1.00 0.00 C ATOM 2418 C ASP B 61 -12.442 5.145 16.386 1.00 0.00 C ATOM 2419 O ASP B 61 -12.107 6.221 16.873 1.00 0.00 O ATOM 2420 CB ASP B 61 -14.154 5.626 14.568 1.00 0.00 C ATOM 2421 CG ASP B 61 -15.312 4.890 15.243 1.00 0.00 C ATOM 2422 OD1 ASP B 61 -15.219 4.590 16.452 1.00 0.00 O ATOM 2423 OD2 ASP B 61 -16.317 4.668 14.535 1.00 0.00 O ATOM 0 H ASP B 61 -13.336 3.372 13.889 1.00 0.00 H new ATOM 0 HA ASP B 61 -12.031 5.773 14.434 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -14.200 6.677 14.852 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -14.298 5.581 13.489 1.00 0.00 H new ATOM 2428 N ARG B 62 -12.538 4.028 17.122 1.00 0.00 N ATOM 2429 CA ARG B 62 -12.423 4.088 18.574 1.00 0.00 C ATOM 2430 C ARG B 62 -11.110 4.750 18.986 1.00 0.00 C ATOM 2431 O ARG B 62 -11.081 5.455 19.992 1.00 0.00 O ATOM 2432 CB ARG B 62 -12.654 2.725 19.236 1.00 0.00 C ATOM 2433 CG ARG B 62 -11.607 1.668 18.866 1.00 0.00 C ATOM 2434 CD ARG B 62 -12.027 0.285 19.377 1.00 0.00 C ATOM 2435 NE ARG B 62 -12.137 0.257 20.843 1.00 0.00 N ATOM 2436 CZ ARG B 62 -13.269 0.309 21.564 1.00 0.00 C ATOM 2437 NH1 ARG B 62 -14.475 0.357 20.985 1.00 0.00 N ATOM 2438 NH2 ARG B 62 -13.183 0.319 22.898 1.00 0.00 N ATOM 0 H ARG B 62 -12.692 3.095 16.740 1.00 0.00 H new ATOM 0 HA ARG B 62 -13.227 4.722 18.949 1.00 0.00 H new ATOM 0 HB2 ARG B 62 -12.659 2.854 20.318 1.00 0.00 H new ATOM 0 HB3 ARG B 62 -13.641 2.358 18.955 1.00 0.00 H new ATOM 0 HG2 ARG B 62 -11.480 1.638 17.784 1.00 0.00 H new ATOM 0 HG3 ARG B 62 -10.642 1.941 19.292 1.00 0.00 H new ATOM 0 HD2 ARG B 62 -12.984 0.009 18.935 1.00 0.00 H new ATOM 0 HD3 ARG B 62 -11.300 -0.459 19.052 1.00 0.00 H new ATOM 0 HE ARG B 62 -11.264 0.191 21.366 1.00 0.00 H new ATOM 0 HH11 ARG B 62 -14.553 0.355 19.968 1.00 0.00 H new ATOM 0 HH12 ARG B 62 -15.316 0.396 21.561 1.00 0.00 H new ATOM 0 HH21 ARG B 62 -12.269 0.287 23.350 1.00 0.00 H new ATOM 0 HH22 ARG B 62 -14.031 0.358 23.463 1.00 0.00 H new ATOM 2517 N GLU B 67 -13.377 9.758 15.154 1.00 0.00 N ATOM 2518 CA GLU B 67 -12.500 9.613 14.002 1.00 0.00 C ATOM 2519 C GLU B 67 -11.382 8.604 14.247 1.00 0.00 C ATOM 2520 O GLU B 67 -10.978 8.380 15.384 1.00 0.00 O ATOM 2521 CB GLU B 67 -11.876 10.966 13.623 1.00 0.00 C ATOM 2522 CG GLU B 67 -12.864 12.146 13.577 1.00 0.00 C ATOM 2523 CD GLU B 67 -12.327 13.336 12.782 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -11.669 13.098 11.744 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -12.603 14.479 13.206 1.00 0.00 O ATOM 0 HA GLU B 67 -13.120 9.244 13.185 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.088 11.199 14.339 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.402 10.870 12.646 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -13.802 11.812 13.133 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.089 12.466 14.594 1.00 0.00 H new ATOM 2532 N VAL B 68 -10.856 8.037 13.159 1.00 0.00 N ATOM 2533 CA VAL B 68 -9.632 7.244 13.168 1.00 0.00 C ATOM 2534 C VAL B 68 -8.505 8.143 12.661 1.00 0.00 C ATOM 2535 O VAL B 68 -8.691 8.844 11.665 1.00 0.00 O ATOM 2536 CB VAL B 68 -9.792 5.961 12.328 1.00 0.00 C ATOM 2537 CG1 VAL B 68 -10.084 6.201 10.841 1.00 0.00 C ATOM 2538 CG2 VAL B 68 -8.547 5.077 12.466 1.00 0.00 C ATOM 0 H VAL B 68 -11.278 8.119 12.234 1.00 0.00 H new ATOM 0 HA VAL B 68 -9.397 6.902 14.176 1.00 0.00 H new ATOM 0 HB VAL B 68 -10.672 5.461 12.733 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -10.181 5.243 10.330 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -11.013 6.762 10.739 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -9.266 6.768 10.397 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -8.673 4.175 11.868 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -7.672 5.624 12.116 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -8.410 4.803 13.512 1.00 0.00 H new ATOM 2548 N ASN B 69 -7.351 8.166 13.336 1.00 0.00 N ATOM 2549 CA ASN B 69 -6.198 8.913 12.845 1.00 0.00 C ATOM 2550 C ASN B 69 -5.465 8.111 11.774 1.00 0.00 C ATOM 2551 O ASN B 69 -5.481 6.881 11.797 1.00 0.00 O ATOM 2552 CB ASN B 69 -5.251 9.346 13.976 1.00 0.00 C ATOM 2553 CG ASN B 69 -4.013 8.456 14.094 1.00 0.00 C ATOM 2554 OD1 ASN B 69 -2.998 8.698 13.447 1.00 0.00 O ATOM 2555 ND2 ASN B 69 -4.090 7.402 14.895 1.00 0.00 N ATOM 0 H ASN B 69 -7.195 7.678 14.218 1.00 0.00 H new ATOM 0 HA ASN B 69 -6.571 9.833 12.395 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -4.936 10.375 13.804 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -5.793 9.332 14.922 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -3.294 6.770 14.984 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -4.945 7.223 15.422 1.00 0.00 H new ATOM 2562 N PHE B 70 -4.785 8.823 10.876 1.00 0.00 N ATOM 2563 CA PHE B 70 -4.003 8.252 9.790 1.00 0.00 C ATOM 2564 C PHE B 70 -3.215 6.997 10.194 1.00 0.00 C ATOM 2565 O PHE B 70 -3.370 5.943 9.575 1.00 0.00 O ATOM 2566 CB PHE B 70 -3.092 9.340 9.209 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.163 8.815 8.140 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -2.703 8.313 6.942 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -0.801 8.619 8.433 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -1.891 7.587 6.056 1.00 0.00 C ATOM 2571 CE2 PHE B 70 0.012 7.906 7.540 1.00 0.00 C ATOM 2572 CZ PHE B 70 -0.537 7.370 6.362 1.00 0.00 C ATOM 0 H PHE B 70 -4.765 9.843 10.888 1.00 0.00 H new ATOM 0 HA PHE B 70 -4.696 7.905 9.023 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.707 10.137 8.791 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.502 9.781 10.012 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.742 8.486 6.704 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -0.382 9.017 9.345 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.307 7.195 5.140 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.061 7.769 7.757 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.082 6.791 5.692 1.00 0.00 H new ATOM 2582 N GLN B 71 -2.380 7.070 11.235 1.00 0.00 N ATOM 2583 CA GLN B 71 -1.551 5.918 11.562 1.00 0.00 C ATOM 2584 C GLN B 71 -2.406 4.735 12.015 1.00 0.00 C ATOM 2585 O GLN B 71 -2.094 3.598 11.671 1.00 0.00 O ATOM 2586 CB GLN B 71 -0.448 6.257 12.574 1.00 0.00 C ATOM 2587 CG GLN B 71 0.531 5.070 12.653 1.00 0.00 C ATOM 2588 CD GLN B 71 1.747 5.331 13.533 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.764 6.257 14.337 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.777 4.501 13.393 1.00 0.00 N ATOM 0 H GLN B 71 -2.265 7.882 11.841 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.038 5.621 10.647 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.079 7.162 12.270 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.882 6.455 13.554 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.001 4.198 13.034 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.869 4.823 11.647 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.731 3.741 12.715 1.00 0.00 H new ATOM 0 HE22 GLN B 71 3.613 4.625 13.964 1.00 0.00 H new ATOM 2599 N GLU B 72 -3.482 4.965 12.774 1.00 0.00 N ATOM 2600 CA GLU B 72 -4.338 3.859 13.187 1.00 0.00 C ATOM 2601 C GLU B 72 -5.130 3.306 12.005 1.00 0.00 C ATOM 2602 O GLU B 72 -5.369 2.103 11.948 1.00 0.00 O ATOM 2603 CB GLU B 72 -5.220 4.221 14.384 1.00 0.00 C ATOM 2604 CG GLU B 72 -4.406 4.146 15.689 1.00 0.00 C ATOM 2605 CD GLU B 72 -3.913 2.735 16.015 1.00 0.00 C ATOM 2606 OE1 GLU B 72 -4.709 1.791 15.826 1.00 0.00 O ATOM 2607 OE2 GLU B 72 -2.743 2.629 16.442 1.00 0.00 O ATOM 0 H GLU B 72 -3.773 5.885 13.106 1.00 0.00 H new ATOM 0 HA GLU B 72 -3.692 3.054 13.537 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -5.624 5.225 14.256 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -6.070 3.540 14.438 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -3.548 4.814 15.613 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -5.020 4.508 16.513 1.00 0.00 H new ATOM 2614 N TYR B 73 -5.498 4.150 11.040 1.00 0.00 N ATOM 2615 CA TYR B 73 -6.040 3.676 9.775 1.00 0.00 C ATOM 2616 C TYR B 73 -5.053 2.687 9.142 1.00 0.00 C ATOM 2617 O TYR B 73 -5.429 1.555 8.833 1.00 0.00 O ATOM 2618 CB TYR B 73 -6.390 4.871 8.876 1.00 0.00 C ATOM 2619 CG TYR B 73 -6.373 4.596 7.386 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -7.538 4.141 6.743 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -5.232 4.919 6.624 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -7.577 4.054 5.341 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -5.261 4.791 5.226 1.00 0.00 C ATOM 2624 CZ TYR B 73 -6.442 4.383 4.583 1.00 0.00 C ATOM 2625 OH TYR B 73 -6.500 4.331 3.224 1.00 0.00 O ATOM 0 H TYR B 73 -5.429 5.165 11.115 1.00 0.00 H new ATOM 0 HA TYR B 73 -6.973 3.133 9.928 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -7.382 5.230 9.150 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -5.689 5.679 9.086 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -8.402 3.859 7.326 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -4.335 5.265 7.116 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -8.482 3.733 4.846 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.376 5.006 4.645 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.769 4.862 2.845 1.00 0.00 H new ATOM 2635 N ILE B 74 -3.781 3.079 9.000 1.00 0.00 N ATOM 2636 CA ILE B 74 -2.749 2.178 8.485 1.00 0.00 C ATOM 2637 C ILE B 74 -2.677 0.896 9.337 1.00 0.00 C ATOM 2638 O ILE B 74 -2.734 -0.208 8.803 1.00 0.00 O ATOM 2639 CB ILE B 74 -1.382 2.889 8.386 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.376 4.124 7.462 1.00 0.00 C ATOM 2641 CG2 ILE B 74 -0.300 1.894 7.946 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.483 3.820 5.965 1.00 0.00 C ATOM 0 H ILE B 74 -3.445 4.013 9.235 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.023 1.884 7.472 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.167 3.264 9.387 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -2.205 4.773 7.745 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.458 4.685 7.638 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.660 2.406 7.879 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -0.231 1.086 8.675 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -0.560 1.482 6.971 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -1.470 4.753 5.402 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -0.641 3.200 5.659 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.415 3.290 5.767 1.00 0.00 H new ATOM 2654 N THR B 75 -2.567 1.032 10.661 1.00 0.00 N ATOM 2655 CA THR B 75 -2.471 -0.087 11.603 1.00 0.00 C ATOM 2656 C THR B 75 -3.628 -1.070 11.411 1.00 0.00 C ATOM 2657 O THR B 75 -3.438 -2.289 11.409 1.00 0.00 O ATOM 2658 CB THR B 75 -2.470 0.446 13.044 1.00 0.00 C ATOM 2659 OG1 THR B 75 -1.442 1.399 13.204 1.00 0.00 O ATOM 2660 CG2 THR B 75 -2.274 -0.660 14.084 1.00 0.00 C ATOM 0 H THR B 75 -2.542 1.943 11.118 1.00 0.00 H new ATOM 0 HA THR B 75 -1.539 -0.618 11.410 1.00 0.00 H new ATOM 0 HB THR B 75 -3.449 0.896 13.210 1.00 0.00 H new ATOM 0 HG1 THR B 75 -1.718 2.249 12.801 1.00 0.00 H new ATOM 0 HG21 THR B 75 -2.282 -0.225 15.083 1.00 0.00 H new ATOM 0 HG22 THR B 75 -3.081 -1.387 13.998 1.00 0.00 H new ATOM 0 HG23 THR B 75 -1.319 -1.156 13.912 1.00 0.00 H new ATOM 2668 N PHE B 76 -4.840 -0.533 11.274 1.00 0.00 N ATOM 2669 CA PHE B 76 -6.039 -1.321 11.092 1.00 0.00 C ATOM 2670 C PHE B 76 -6.021 -1.995 9.726 1.00 0.00 C ATOM 2671 O PHE B 76 -6.335 -3.175 9.633 1.00 0.00 O ATOM 2672 CB PHE B 76 -7.284 -0.455 11.257 1.00 0.00 C ATOM 2673 CG PHE B 76 -8.557 -1.265 11.117 1.00 0.00 C ATOM 2674 CD1 PHE B 76 -9.108 -1.486 9.840 1.00 0.00 C ATOM 2675 CD2 PHE B 76 -9.079 -1.952 12.230 1.00 0.00 C ATOM 2676 CE1 PHE B 76 -10.191 -2.362 9.682 1.00 0.00 C ATOM 2677 CE2 PHE B 76 -10.130 -2.870 12.060 1.00 0.00 C ATOM 2678 CZ PHE B 76 -10.671 -3.091 10.782 1.00 0.00 C ATOM 0 H PHE B 76 -5.009 0.473 11.288 1.00 0.00 H new ATOM 0 HA PHE B 76 -6.068 -2.096 11.858 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.265 0.026 12.235 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.275 0.340 10.511 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -8.695 -0.979 8.980 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.672 -1.774 13.214 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -10.656 -2.476 8.714 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -10.522 -3.406 12.912 1.00 0.00 H new ATOM 0 HZ PHE B 76 -11.455 -3.821 10.646 1.00 0.00 H new ATOM 2688 N LEU B 77 -5.636 -1.288 8.661 1.00 0.00 N ATOM 2689 CA LEU B 77 -5.416 -1.948 7.378 1.00 0.00 C ATOM 2690 C LEU B 77 -4.392 -3.078 7.542 1.00 0.00 C ATOM 2691 O LEU B 77 -4.549 -4.143 6.952 1.00 0.00 O ATOM 2692 CB LEU B 77 -5.029 -0.936 6.291 1.00 0.00 C ATOM 2693 CG LEU B 77 -6.219 -0.051 5.873 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -5.749 1.058 4.932 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -7.302 -0.852 5.140 1.00 0.00 C ATOM 0 H LEU B 77 -5.474 -0.281 8.662 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.348 -2.402 7.041 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -4.219 -0.305 6.656 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -4.650 -1.469 5.419 1.00 0.00 H new ATOM 0 HG LEU B 77 -6.636 0.363 6.791 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -6.600 1.676 4.644 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -5.007 1.675 5.439 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -5.305 0.615 4.041 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -8.121 -0.188 4.864 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -6.878 -1.299 4.241 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -7.677 -1.639 5.794 1.00 0.00 H new ATOM 2707 N GLY B 78 -3.389 -2.882 8.399 1.00 0.00 N ATOM 2708 CA GLY B 78 -2.488 -3.940 8.825 1.00 0.00 C ATOM 2709 C GLY B 78 -3.253 -5.114 9.436 1.00 0.00 C ATOM 2710 O GLY B 78 -3.039 -6.256 9.039 1.00 0.00 O ATOM 0 H GLY B 78 -3.182 -1.975 8.817 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -1.905 -4.288 7.972 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -1.781 -3.546 9.555 1.00 0.00 H new ATOM 2714 N ALA B 79 -4.155 -4.857 10.388 1.00 0.00 N ATOM 2715 CA ALA B 79 -5.005 -5.903 10.952 1.00 0.00 C ATOM 2716 C ALA B 79 -5.790 -6.627 9.858 1.00 0.00 C ATOM 2717 O ALA B 79 -5.811 -7.852 9.811 1.00 0.00 O ATOM 2718 CB ALA B 79 -5.965 -5.341 12.008 1.00 0.00 C ATOM 0 H ALA B 79 -4.314 -3.930 10.783 1.00 0.00 H new ATOM 0 HA ALA B 79 -4.347 -6.622 11.440 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -6.581 -6.147 12.405 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -5.392 -4.890 12.818 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -6.605 -4.586 11.552 1.00 0.00 H new ATOM 2724 N LEU B 80 -6.431 -5.869 8.971 1.00 0.00 N ATOM 2725 CA LEU B 80 -7.219 -6.387 7.864 1.00 0.00 C ATOM 2726 C LEU B 80 -6.354 -7.318 7.009 1.00 0.00 C ATOM 2727 O LEU B 80 -6.733 -8.451 6.711 1.00 0.00 O ATOM 2728 CB LEU B 80 -7.773 -5.198 7.055 1.00 0.00 C ATOM 2729 CG LEU B 80 -9.112 -5.498 6.371 1.00 0.00 C ATOM 2730 CD1 LEU B 80 -10.264 -5.519 7.383 1.00 0.00 C ATOM 2731 CD2 LEU B 80 -9.413 -4.399 5.347 1.00 0.00 C ATOM 0 H LEU B 80 -6.414 -4.850 9.007 1.00 0.00 H new ATOM 0 HA LEU B 80 -8.063 -6.974 8.227 1.00 0.00 H new ATOM 0 HB2 LEU B 80 -7.896 -4.342 7.719 1.00 0.00 H new ATOM 0 HB3 LEU B 80 -7.043 -4.912 6.298 1.00 0.00 H new ATOM 0 HG LEU B 80 -9.031 -6.475 5.895 1.00 0.00 H new ATOM 0 HD11 LEU B 80 -11.199 -5.734 6.866 1.00 0.00 H new ATOM 0 HD12 LEU B 80 -10.077 -6.290 8.131 1.00 0.00 H new ATOM 0 HD13 LEU B 80 -10.336 -4.548 7.873 1.00 0.00 H new ATOM 0 HD21 LEU B 80 -10.364 -4.608 4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 80 -9.469 -3.435 5.853 1.00 0.00 H new ATOM 0 HD23 LEU B 80 -8.620 -4.370 4.600 1.00 0.00 H new ATOM 2743 N ALA B 81 -5.157 -6.849 6.657 1.00 0.00 N ATOM 2744 CA ALA B 81 -4.173 -7.624 5.923 1.00 0.00 C ATOM 2745 C ALA B 81 -3.815 -8.898 6.688 1.00 0.00 C ATOM 2746 O ALA B 81 -3.756 -9.976 6.105 1.00 0.00 O ATOM 2747 CB ALA B 81 -2.942 -6.763 5.650 1.00 0.00 C ATOM 0 H ALA B 81 -4.845 -5.904 6.880 1.00 0.00 H new ATOM 0 HA ALA B 81 -4.593 -7.930 4.965 1.00 0.00 H new ATOM 0 HB1 ALA B 81 -2.205 -7.347 5.099 1.00 0.00 H new ATOM 0 HB2 ALA B 81 -3.230 -5.893 5.060 1.00 0.00 H new ATOM 0 HB3 ALA B 81 -2.511 -6.434 6.596 1.00 0.00 H new ATOM 2753 N MET B 82 -3.586 -8.784 7.998 1.00 0.00 N ATOM 2754 CA MET B 82 -3.238 -9.918 8.836 1.00 0.00 C ATOM 2755 C MET B 82 -4.369 -10.953 8.847 1.00 0.00 C ATOM 2756 O MET B 82 -4.120 -12.153 8.752 1.00 0.00 O ATOM 2757 CB MET B 82 -2.850 -9.429 10.237 1.00 0.00 C ATOM 2758 CG MET B 82 -2.166 -10.535 11.051 1.00 0.00 C ATOM 2759 SD MET B 82 -1.227 -9.965 12.493 1.00 0.00 S ATOM 2760 CE MET B 82 -2.521 -9.124 13.432 1.00 0.00 C ATOM 0 H MET B 82 -3.638 -7.899 8.502 1.00 0.00 H new ATOM 0 HA MET B 82 -2.368 -10.428 8.423 1.00 0.00 H new ATOM 0 HB2 MET B 82 -2.181 -8.572 10.152 1.00 0.00 H new ATOM 0 HB3 MET B 82 -3.741 -9.087 10.763 1.00 0.00 H new ATOM 0 HG2 MET B 82 -2.927 -11.239 11.388 1.00 0.00 H new ATOM 0 HG3 MET B 82 -1.493 -11.084 10.393 1.00 0.00 H new ATOM 0 HE1 MET B 82 -2.115 -8.779 14.383 1.00 0.00 H new ATOM 0 HE2 MET B 82 -2.887 -8.270 12.863 1.00 0.00 H new ATOM 0 HE3 MET B 82 -3.343 -9.815 13.618 1.00 0.00 H new ATOM 2770 N ILE B 83 -5.617 -10.486 8.940 1.00 0.00 N ATOM 2771 CA ILE B 83 -6.804 -11.327 8.832 1.00 0.00 C ATOM 2772 C ILE B 83 -6.818 -12.007 7.460 1.00 0.00 C ATOM 2773 O ILE B 83 -7.107 -13.205 7.370 1.00 0.00 O ATOM 2774 CB ILE B 83 -8.075 -10.503 9.126 1.00 0.00 C ATOM 2775 CG1 ILE B 83 -8.103 -10.118 10.618 1.00 0.00 C ATOM 2776 CG2 ILE B 83 -9.346 -11.289 8.763 1.00 0.00 C ATOM 2777 CD1 ILE B 83 -9.085 -8.983 10.923 1.00 0.00 C ATOM 0 H ILE B 83 -5.830 -9.501 9.094 1.00 0.00 H new ATOM 0 HA ILE B 83 -6.781 -12.118 9.581 1.00 0.00 H new ATOM 0 HB ILE B 83 -8.051 -9.602 8.513 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -8.373 -10.993 11.209 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -7.102 -9.819 10.930 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -10.224 -10.682 8.982 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -9.331 -11.536 7.701 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -9.385 -12.208 9.348 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -9.060 -8.757 11.989 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -8.802 -8.095 10.357 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -10.093 -9.288 10.640 1.00 0.00 H new ATOM 2789 N TYR B 84 -6.447 -11.281 6.397 1.00 0.00 N ATOM 2790 CA TYR B 84 -6.241 -11.839 5.062 1.00 0.00 C ATOM 2791 C TYR B 84 -4.968 -12.700 4.989 1.00 0.00 C ATOM 2792 O TYR B 84 -4.123 -12.524 4.114 1.00 0.00 O ATOM 2793 CB TYR B 84 -6.227 -10.729 3.996 1.00 0.00 C ATOM 2794 CG TYR B 84 -7.400 -9.763 3.963 1.00 0.00 C ATOM 2795 CD1 TYR B 84 -8.686 -10.149 4.392 1.00 0.00 C ATOM 2796 CD2 TYR B 84 -7.214 -8.489 3.393 1.00 0.00 C ATOM 2797 CE1 TYR B 84 -9.769 -9.265 4.255 1.00 0.00 C ATOM 2798 CE2 TYR B 84 -8.300 -7.607 3.251 1.00 0.00 C ATOM 2799 CZ TYR B 84 -9.581 -8.003 3.673 1.00 0.00 C ATOM 2800 OH TYR B 84 -10.640 -7.159 3.528 1.00 0.00 O ATOM 0 H TYR B 84 -6.280 -10.276 6.445 1.00 0.00 H new ATOM 0 HA TYR B 84 -7.084 -12.497 4.852 1.00 0.00 H new ATOM 0 HB2 TYR B 84 -5.316 -10.146 4.132 1.00 0.00 H new ATOM 0 HB3 TYR B 84 -6.157 -11.205 3.018 1.00 0.00 H new ATOM 0 HD1 TYR B 84 -8.839 -11.126 4.827 1.00 0.00 H new ATOM 0 HD2 TYR B 84 -6.231 -8.187 3.063 1.00 0.00 H new ATOM 0 HE1 TYR B 84 -10.750 -9.558 4.599 1.00 0.00 H new ATOM 0 HE2 TYR B 84 -8.150 -6.629 2.819 1.00 0.00 H new ATOM 0 HH TYR B 84 -10.339 -6.326 3.109 1.00 0.00 H new ATOM 2810 N ASN B 85 -4.879 -13.708 5.859 1.00 0.00 N ATOM 2811 CA ASN B 85 -3.904 -14.789 5.861 1.00 0.00 C ATOM 2812 C ASN B 85 -3.613 -15.298 4.445 1.00 0.00 C ATOM 2813 O ASN B 85 -2.455 -15.495 4.087 1.00 0.00 O ATOM 2814 CB ASN B 85 -4.394 -15.908 6.791 1.00 0.00 C ATOM 2815 CG ASN B 85 -5.680 -16.571 6.298 1.00 0.00 C ATOM 2816 OD1 ASN B 85 -5.635 -17.645 5.710 1.00 0.00 O ATOM 2817 ND2 ASN B 85 -6.837 -15.943 6.506 1.00 0.00 N ATOM 0 H ASN B 85 -5.536 -13.792 6.635 1.00 0.00 H new ATOM 0 HA ASN B 85 -2.955 -14.411 6.241 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -3.614 -16.664 6.884 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -4.561 -15.498 7.787 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -7.708 -16.356 6.173 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -6.851 -15.050 6.998 1.00 0.00 H new ATOM 2824 N GLU B 86 -4.654 -15.467 3.625 1.00 0.00 N ATOM 2825 CA GLU B 86 -4.523 -15.838 2.221 1.00 0.00 C ATOM 2826 C GLU B 86 -3.570 -14.879 1.495 1.00 0.00 C ATOM 2827 O GLU B 86 -2.650 -15.314 0.807 1.00 0.00 O ATOM 2828 CB GLU B 86 -5.926 -15.877 1.591 1.00 0.00 C ATOM 2829 CG GLU B 86 -5.945 -16.399 0.144 1.00 0.00 C ATOM 2830 CD GLU B 86 -5.441 -15.387 -0.885 1.00 0.00 C ATOM 2831 OE1 GLU B 86 -5.829 -14.205 -0.761 1.00 0.00 O ATOM 2832 OE2 GLU B 86 -4.683 -15.816 -1.781 1.00 0.00 O ATOM 0 H GLU B 86 -5.621 -15.348 3.925 1.00 0.00 H new ATOM 0 HA GLU B 86 -4.081 -16.830 2.128 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -6.571 -16.508 2.203 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -6.350 -14.873 1.610 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -5.333 -17.299 0.084 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -6.964 -16.689 -0.114 1.00 0.00 H new ATOM 2839 N ALA B 87 -3.776 -13.571 1.658 1.00 0.00 N ATOM 2840 CA ALA B 87 -2.918 -12.564 1.057 1.00 0.00 C ATOM 2841 C ALA B 87 -1.506 -12.662 1.633 1.00 0.00 C ATOM 2842 O ALA B 87 -0.543 -12.500 0.893 1.00 0.00 O ATOM 2843 CB ALA B 87 -3.505 -11.162 1.251 1.00 0.00 C ATOM 0 H ALA B 87 -4.542 -13.187 2.210 1.00 0.00 H new ATOM 0 HA ALA B 87 -2.860 -12.749 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA B 87 -2.846 -10.425 0.793 1.00 0.00 H new ATOM 0 HB2 ALA B 87 -4.488 -11.111 0.782 1.00 0.00 H new ATOM 0 HB3 ALA B 87 -3.600 -10.952 2.316 1.00 0.00 H new ATOM 2849 N LEU B 88 -1.375 -12.940 2.937 1.00 0.00 N ATOM 2850 CA LEU B 88 -0.063 -13.162 3.543 1.00 0.00 C ATOM 2851 C LEU B 88 0.676 -14.310 2.846 1.00 0.00 C ATOM 2852 O LEU B 88 1.864 -14.187 2.559 1.00 0.00 O ATOM 2853 CB LEU B 88 -0.139 -13.420 5.053 1.00 0.00 C ATOM 2854 CG LEU B 88 -0.979 -12.430 5.873 1.00 0.00 C ATOM 2855 CD1 LEU B 88 -0.836 -12.824 7.347 1.00 0.00 C ATOM 2856 CD2 LEU B 88 -0.564 -10.970 5.683 1.00 0.00 C ATOM 0 H LEU B 88 -2.158 -13.015 3.586 1.00 0.00 H new ATOM 0 HA LEU B 88 0.498 -12.238 3.404 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -0.542 -14.421 5.209 1.00 0.00 H new ATOM 0 HB3 LEU B 88 0.876 -13.419 5.451 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.012 -12.490 5.529 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.420 -12.142 7.964 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.199 -13.842 7.488 1.00 0.00 H new ATOM 0 HD13 LEU B 88 0.213 -12.769 7.638 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.201 -10.329 6.292 1.00 0.00 H new ATOM 0 HD22 LEU B 88 0.475 -10.845 5.987 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -0.670 -10.695 4.634 1.00 0.00 H new ATOM 2868 N LYS B 89 -0.011 -15.429 2.580 1.00 0.00 N ATOM 2869 CA LYS B 89 0.580 -16.520 1.806 1.00 0.00 C ATOM 2870 C LYS B 89 0.909 -16.032 0.389 1.00 0.00 C ATOM 2871 O LYS B 89 1.969 -16.352 -0.145 1.00 0.00 O ATOM 2872 CB LYS B 89 -0.347 -17.748 1.745 1.00 0.00 C ATOM 2873 CG LYS B 89 -0.168 -18.776 2.877 1.00 0.00 C ATOM 2874 CD LYS B 89 -0.852 -18.397 4.196 1.00 0.00 C ATOM 2875 CE LYS B 89 0.061 -17.603 5.136 1.00 0.00 C ATOM 2876 NZ LYS B 89 -0.716 -16.993 6.228 1.00 0.00 N ATOM 0 H LYS B 89 -0.968 -15.599 2.888 1.00 0.00 H new ATOM 0 HA LYS B 89 1.497 -16.829 2.308 1.00 0.00 H new ATOM 0 HB2 LYS B 89 -1.380 -17.401 1.754 1.00 0.00 H new ATOM 0 HB3 LYS B 89 -0.189 -18.253 0.792 1.00 0.00 H new ATOM 0 HG2 LYS B 89 -0.559 -19.737 2.543 1.00 0.00 H new ATOM 0 HG3 LYS B 89 0.898 -18.912 3.061 1.00 0.00 H new ATOM 0 HD2 LYS B 89 -1.743 -17.808 3.981 1.00 0.00 H new ATOM 0 HD3 LYS B 89 -1.184 -19.304 4.701 1.00 0.00 H new ATOM 0 HE2 LYS B 89 0.824 -18.261 5.551 1.00 0.00 H new ATOM 0 HE3 LYS B 89 0.580 -16.826 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 89 -0.083 -16.432 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 89 -1.450 -16.375 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 89 -1.164 -17.741 6.795 1.00 0.00 H new ATOM 2890 N GLY B 90 -0.014 -15.288 -0.225 1.00 0.00 N ATOM 2891 CA GLY B 90 0.157 -14.709 -1.549 1.00 0.00 C ATOM 2892 C GLY B 90 1.492 -13.973 -1.713 1.00 0.00 C ATOM 2893 O GLY B 90 1.854 -13.201 -0.798 1.00 0.00 O ATOM 2894 OXT GLY B 90 2.119 -14.176 -2.776 1.00 0.00 O ATOM 0 H GLY B 90 -0.917 -15.070 0.197 1.00 0.00 H new ATOM 0 HA2 GLY B 90 0.090 -15.499 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -0.661 -14.015 -1.744 1.00 0.00 H new