USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 651 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 65 THR OG1 : rot 116:sc= -0.496 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.084 USER MOD Set 1.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot 120:sc= 0.538 USER MOD Set 2.2: A 74 GLN : amide:sc= -0.856! K(o=-0.32!,f=0.69) USER MOD Set 3.1: A 56 THR OG1 : rot -150:sc= 0.0152 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 163:sc= 0.0121 (180deg=0) USER MOD Set 4.1: A 33 MET CE :methyl -146:sc= -0.198 (180deg=-1.69) USER MOD Set 4.2: A 37 ASN : amide:sc= -2.91! K(o=-3.1!,f=-1.6) USER MOD Set 5.1: A 15 CYS SG : rot 71:sc= -2.28! USER MOD Set 5.2: A 32 CYS SG : rot -115:sc= -2.8! USER MOD Set 6.1: A 18 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.3!) USER MOD Set 6.2: A 23 TYR OH : rot 45:sc= 0 USER MOD Set 6.3: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.00728 X(o=-0.0073,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.518 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0391) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -35:sc= -0.503 USER MOD Single : A 26 ASN : amide:sc= -1.84 K(o=-1.8,f=-7!) USER MOD Single : A 27 SER OG : rot -88:sc= 0.0458 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -0.153 (180deg=-0.871) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.067 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 73 ASN : amide:sc= -2.17! C(o=-2.2!,f=-6.8!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 79 THR OG1 : rot 150:sc= -2.83! USER MOD Single : A 80 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 86 LYS NZ :NH3+ -122:sc= -1.41 (180deg=-3.71!) USER MOD Single : A 91 THR OG1 : rot 43:sc= 0.069 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.173 -1.989 -1.257 1.00 0.00 N ATOM 74 CA ALA A 7 56.662 -1.977 -1.297 1.00 0.00 C ATOM 75 C ALA A 7 57.185 -3.311 -0.759 1.00 0.00 C ATOM 76 O ALA A 7 58.373 -3.569 -0.746 1.00 0.00 O ATOM 77 CB ALA A 7 57.188 -0.822 -0.437 1.00 0.00 C ATOM 0 HA ALA A 7 57.006 -1.839 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.278 -0.813 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.807 0.123 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.854 -0.953 0.592 1.00 0.00 H new ATOM 83 N ASP A 8 56.301 -4.153 -0.304 1.00 0.00 N ATOM 84 CA ASP A 8 56.726 -5.471 0.250 1.00 0.00 C ATOM 85 C ASP A 8 57.007 -6.463 -0.880 1.00 0.00 C ATOM 86 O ASP A 8 57.709 -7.438 -0.697 1.00 0.00 O ATOM 87 CB ASP A 8 55.618 -6.029 1.144 1.00 0.00 C ATOM 88 CG ASP A 8 55.520 -5.190 2.420 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.484 -4.513 2.736 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.483 -5.243 3.061 1.00 0.00 O ATOM 0 H ASP A 8 55.295 -3.985 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 8 57.638 -5.328 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.666 -6.015 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.828 -7.069 1.395 1.00 0.00 H new ATOM 95 N ASN A 9 56.460 -6.238 -2.046 1.00 0.00 N ATOM 96 CA ASN A 9 56.700 -7.192 -3.172 1.00 0.00 C ATOM 97 C ASN A 9 57.959 -6.779 -3.927 1.00 0.00 C ATOM 98 O ASN A 9 58.349 -7.413 -4.888 1.00 0.00 O ATOM 99 CB ASN A 9 55.508 -7.174 -4.126 1.00 0.00 C ATOM 100 CG ASN A 9 54.303 -7.837 -3.457 1.00 0.00 C ATOM 101 OD1 ASN A 9 53.313 -7.190 -3.181 1.00 0.00 O ATOM 102 ND2 ASN A 9 54.347 -9.114 -3.184 1.00 0.00 N ATOM 0 H ASN A 9 55.862 -5.442 -2.268 1.00 0.00 H new ATOM 0 HA ASN A 9 56.826 -8.198 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.265 -6.147 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.759 -7.699 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 9 53.550 -9.568 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.179 -9.657 -3.416 1.00 0.00 H new ATOM 109 N VAL A 10 58.598 -5.722 -3.500 1.00 0.00 N ATOM 110 CA VAL A 10 59.840 -5.255 -4.186 1.00 0.00 C ATOM 111 C VAL A 10 61.036 -5.442 -3.254 1.00 0.00 C ATOM 112 O VAL A 10 61.037 -4.979 -2.131 1.00 0.00 O ATOM 113 CB VAL A 10 59.714 -3.768 -4.506 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.932 -3.318 -5.310 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.455 -3.508 -5.322 1.00 0.00 C ATOM 0 H VAL A 10 58.311 -5.158 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 10 59.980 -5.829 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 10 59.656 -3.210 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.844 -2.256 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.837 -3.489 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.986 -3.887 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.378 -2.443 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.504 -4.070 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.581 -3.825 -4.753 1.00 0.00 H new ATOM 125 N ASP A 11 62.065 -6.094 -3.717 1.00 0.00 N ATOM 126 CA ASP A 11 63.268 -6.278 -2.861 1.00 0.00 C ATOM 127 C ASP A 11 64.073 -4.968 -2.893 1.00 0.00 C ATOM 128 O ASP A 11 64.313 -4.430 -3.955 1.00 0.00 O ATOM 129 CB ASP A 11 64.120 -7.419 -3.422 1.00 0.00 C ATOM 130 CG ASP A 11 65.284 -7.707 -2.473 1.00 0.00 C ATOM 131 OD1 ASP A 11 65.979 -6.769 -2.117 1.00 0.00 O ATOM 132 OD2 ASP A 11 65.461 -8.860 -2.118 1.00 0.00 O ATOM 0 H ASP A 11 62.125 -6.506 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 11 62.980 -6.522 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 11 63.510 -8.314 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.500 -7.152 -4.408 1.00 0.00 H new ATOM 137 N PRO A 12 64.478 -4.433 -1.762 1.00 0.00 N ATOM 138 CA PRO A 12 65.244 -3.153 -1.730 1.00 0.00 C ATOM 139 C PRO A 12 66.693 -3.345 -2.186 1.00 0.00 C ATOM 140 O PRO A 12 67.416 -2.396 -2.414 1.00 0.00 O ATOM 141 CB PRO A 12 65.172 -2.738 -0.257 1.00 0.00 C ATOM 142 CG PRO A 12 65.092 -4.028 0.489 1.00 0.00 C ATOM 143 CD PRO A 12 64.271 -4.969 -0.399 1.00 0.00 C ATOM 0 HA PRO A 12 64.837 -2.402 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.050 -2.163 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.301 -2.112 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.086 -4.434 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.616 -3.890 1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.616 -6.000 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.217 -4.963 -0.122 1.00 0.00 H new ATOM 151 N SER A 13 67.119 -4.570 -2.324 1.00 0.00 N ATOM 152 CA SER A 13 68.516 -4.830 -2.769 1.00 0.00 C ATOM 153 C SER A 13 68.667 -4.430 -4.238 1.00 0.00 C ATOM 154 O SER A 13 69.733 -4.053 -4.681 1.00 0.00 O ATOM 155 CB SER A 13 68.825 -6.319 -2.613 1.00 0.00 C ATOM 156 OG SER A 13 68.071 -7.056 -3.568 1.00 0.00 O ATOM 0 H SER A 13 66.558 -5.404 -2.147 1.00 0.00 H new ATOM 0 HA SER A 13 69.208 -4.246 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 13 69.891 -6.498 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.579 -6.650 -1.604 1.00 0.00 H new ATOM 0 HG SER A 13 68.267 -8.011 -3.473 1.00 0.00 H new ATOM 162 N GLN A 14 67.609 -4.516 -5.000 1.00 0.00 N ATOM 163 CA GLN A 14 67.693 -4.150 -6.446 1.00 0.00 C ATOM 164 C GLN A 14 67.375 -2.661 -6.616 1.00 0.00 C ATOM 165 O GLN A 14 67.711 -2.057 -7.615 1.00 0.00 O ATOM 166 CB GLN A 14 66.676 -4.985 -7.232 1.00 0.00 C ATOM 167 CG GLN A 14 66.771 -4.652 -8.724 1.00 0.00 C ATOM 168 CD GLN A 14 65.811 -5.548 -9.508 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.258 -6.485 -8.966 1.00 0.00 O ATOM 170 NE2 GLN A 14 65.590 -5.302 -10.772 1.00 0.00 N ATOM 0 H GLN A 14 66.689 -4.824 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 14 68.698 -4.347 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.865 -6.047 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.668 -4.783 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 14 66.524 -3.603 -8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.792 -4.799 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 14 66.054 -4.516 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 14 64.954 -5.896 -11.304 1.00 0.00 H new ATOM 179 N CYS A 15 66.730 -2.063 -5.652 1.00 0.00 N ATOM 180 CA CYS A 15 66.393 -0.614 -5.770 1.00 0.00 C ATOM 181 C CYS A 15 67.675 0.220 -5.757 1.00 0.00 C ATOM 182 O CYS A 15 67.761 1.244 -6.404 1.00 0.00 O ATOM 183 CB CYS A 15 65.491 -0.190 -4.610 1.00 0.00 C ATOM 184 SG CYS A 15 65.036 1.550 -4.812 1.00 0.00 S ATOM 0 H CYS A 15 66.422 -2.513 -4.790 1.00 0.00 H new ATOM 0 HA CYS A 15 65.866 -0.449 -6.710 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.596 -0.811 -4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.007 -0.335 -3.661 1.00 0.00 H new ATOM 0 HG CYS A 15 64.208 1.669 -5.807 1.00 0.00 H new ATOM 189 N ILE A 16 68.673 -0.215 -5.029 1.00 0.00 N ATOM 190 CA ILE A 16 69.965 0.540 -4.968 1.00 0.00 C ATOM 191 C ILE A 16 71.077 -0.362 -5.491 1.00 0.00 C ATOM 192 O ILE A 16 71.188 -1.508 -5.102 1.00 0.00 O ATOM 193 CB ILE A 16 70.265 0.933 -3.510 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.361 -0.339 -2.615 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.141 1.846 -3.001 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.829 -0.749 -2.406 1.00 0.00 C ATOM 0 H ILE A 16 68.649 -1.068 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 16 69.899 1.444 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 16 71.219 1.458 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.891 -0.147 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 16 69.812 -1.158 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.343 2.131 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.090 2.741 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.190 1.315 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.872 -1.639 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.288 -0.963 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.368 0.064 -1.920 1.00 0.00 H new ATOM 208 N LYS A 17 71.901 0.146 -6.374 1.00 0.00 N ATOM 209 CA LYS A 17 73.018 -0.679 -6.940 1.00 0.00 C ATOM 210 C LYS A 17 74.348 -0.090 -6.482 1.00 0.00 C ATOM 211 O LYS A 17 74.504 1.112 -6.373 1.00 0.00 O ATOM 212 CB LYS A 17 72.948 -0.654 -8.468 1.00 0.00 C ATOM 213 CG LYS A 17 71.721 -1.442 -8.936 1.00 0.00 C ATOM 214 CD LYS A 17 71.652 -1.419 -10.464 1.00 0.00 C ATOM 215 CE LYS A 17 70.426 -2.206 -10.940 1.00 0.00 C ATOM 216 NZ LYS A 17 70.692 -3.666 -10.826 1.00 0.00 N ATOM 0 H LYS A 17 71.849 1.101 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 17 72.930 -1.709 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.890 0.375 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.854 -1.087 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.778 -2.470 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 17 70.814 -1.008 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.595 -0.390 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.559 -1.852 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 17 69.555 -1.937 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.195 -1.948 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.917 -4.196 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.588 -3.894 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.757 -3.930 -9.822 1.00 0.00 H new ATOM 230 N GLN A 18 75.309 -0.931 -6.198 1.00 0.00 N ATOM 231 CA GLN A 18 76.633 -0.429 -5.729 1.00 0.00 C ATOM 232 C GLN A 18 77.603 -0.331 -6.907 1.00 0.00 C ATOM 233 O GLN A 18 77.812 -1.277 -7.638 1.00 0.00 O ATOM 234 CB GLN A 18 77.193 -1.391 -4.674 1.00 0.00 C ATOM 235 CG GLN A 18 77.348 -2.794 -5.269 1.00 0.00 C ATOM 236 CD GLN A 18 77.608 -3.798 -4.143 1.00 0.00 C ATOM 237 OE1 GLN A 18 77.053 -3.681 -3.069 1.00 0.00 O ATOM 238 NE2 GLN A 18 78.434 -4.789 -4.346 1.00 0.00 N ATOM 0 H GLN A 18 75.233 -1.945 -6.271 1.00 0.00 H new ATOM 0 HA GLN A 18 76.510 0.562 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.158 -1.030 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.527 -1.425 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.447 -3.070 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.172 -2.809 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 18 78.900 -4.888 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.613 -5.464 -3.603 1.00 0.00 H new ATOM 247 N SER A 19 78.206 0.817 -7.083 1.00 0.00 N ATOM 248 CA SER A 19 79.189 1.010 -8.193 1.00 0.00 C ATOM 249 C SER A 19 80.554 1.278 -7.565 1.00 0.00 C ATOM 250 O SER A 19 80.708 2.178 -6.762 1.00 0.00 O ATOM 251 CB SER A 19 78.771 2.210 -9.045 1.00 0.00 C ATOM 252 OG SER A 19 77.601 1.880 -9.780 1.00 0.00 O ATOM 0 H SER A 19 78.057 1.639 -6.498 1.00 0.00 H new ATOM 0 HA SER A 19 79.228 0.125 -8.829 1.00 0.00 H new ATOM 0 HB2 SER A 19 78.583 3.074 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 19 79.576 2.485 -9.726 1.00 0.00 H new ATOM 0 HG SER A 19 77.330 2.648 -10.325 1.00 0.00 H new ATOM 258 N GLY A 20 81.546 0.505 -7.902 1.00 0.00 N ATOM 259 CA GLY A 20 82.884 0.732 -7.292 1.00 0.00 C ATOM 260 C GLY A 20 82.735 0.762 -5.768 1.00 0.00 C ATOM 261 O GLY A 20 82.593 -0.263 -5.132 1.00 0.00 O ATOM 0 H GLY A 20 81.490 -0.267 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.573 -0.059 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.306 1.672 -7.648 1.00 0.00 H new ATOM 265 N VAL A 21 82.764 1.935 -5.182 1.00 0.00 N ATOM 266 CA VAL A 21 82.623 2.058 -3.693 1.00 0.00 C ATOM 267 C VAL A 21 81.553 3.097 -3.375 1.00 0.00 C ATOM 268 O VAL A 21 81.632 3.792 -2.383 1.00 0.00 O ATOM 269 CB VAL A 21 83.956 2.528 -3.108 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.062 1.565 -3.537 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.268 3.944 -3.625 1.00 0.00 C ATOM 0 H VAL A 21 82.880 2.821 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 21 82.343 1.095 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 21 83.896 2.547 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.014 1.896 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.835 0.564 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.127 1.547 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.218 4.282 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.333 3.928 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 21 83.475 4.626 -3.319 1.00 0.00 H new ATOM 281 N GLN A 22 80.575 3.238 -4.228 1.00 0.00 N ATOM 282 CA GLN A 22 79.508 4.265 -3.999 1.00 0.00 C ATOM 283 C GLN A 22 78.119 3.632 -4.129 1.00 0.00 C ATOM 284 O GLN A 22 77.925 2.672 -4.848 1.00 0.00 O ATOM 285 CB GLN A 22 79.660 5.367 -5.051 1.00 0.00 C ATOM 286 CG GLN A 22 78.857 6.595 -4.627 1.00 0.00 C ATOM 287 CD GLN A 22 78.870 7.628 -5.756 1.00 0.00 C ATOM 288 OE1 GLN A 22 79.622 8.581 -5.716 1.00 0.00 O ATOM 289 NE2 GLN A 22 78.068 7.471 -6.774 1.00 0.00 N ATOM 0 H GLN A 22 80.465 2.686 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 22 79.612 4.676 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.711 5.630 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.312 5.009 -6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 22 77.831 6.309 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 22 79.282 7.026 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 22 77.437 6.671 -6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 78.073 8.149 -7.536 1.00 0.00 H new ATOM 298 N TYR A 23 77.145 4.198 -3.458 1.00 0.00 N ATOM 299 CA TYR A 23 75.739 3.686 -3.544 1.00 0.00 C ATOM 300 C TYR A 23 74.888 4.765 -4.213 1.00 0.00 C ATOM 301 O TYR A 23 75.006 5.934 -3.898 1.00 0.00 O ATOM 302 CB TYR A 23 75.184 3.420 -2.132 1.00 0.00 C ATOM 303 CG TYR A 23 75.583 2.041 -1.654 1.00 0.00 C ATOM 304 CD1 TYR A 23 74.981 0.910 -2.221 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.529 1.891 -0.634 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.327 -0.368 -1.769 1.00 0.00 C ATOM 307 CE2 TYR A 23 76.876 0.612 -0.184 1.00 0.00 C ATOM 308 CZ TYR A 23 76.274 -0.518 -0.751 1.00 0.00 C ATOM 309 OH TYR A 23 76.615 -1.779 -0.305 1.00 0.00 O ATOM 0 H TYR A 23 77.266 5.005 -2.845 1.00 0.00 H new ATOM 0 HA TYR A 23 75.717 2.757 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.560 4.174 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.098 3.508 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.250 1.025 -3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 76.991 2.762 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 23 74.862 -1.239 -2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.609 0.496 0.601 1.00 0.00 H new ATOM 0 HH TYR A 23 76.752 -2.372 -1.073 1.00 0.00 H new ATOM 319 N THR A 24 74.031 4.390 -5.127 1.00 0.00 N ATOM 320 CA THR A 24 73.166 5.401 -5.811 1.00 0.00 C ATOM 321 C THR A 24 71.734 4.880 -5.887 1.00 0.00 C ATOM 322 O THR A 24 71.493 3.694 -6.040 1.00 0.00 O ATOM 323 CB THR A 24 73.701 5.660 -7.221 1.00 0.00 C ATOM 324 OG1 THR A 24 73.847 4.425 -7.908 1.00 0.00 O ATOM 325 CG2 THR A 24 75.058 6.361 -7.123 1.00 0.00 C ATOM 0 H THR A 24 73.892 3.426 -5.431 1.00 0.00 H new ATOM 0 HA THR A 24 73.178 6.333 -5.246 1.00 0.00 H new ATOM 0 HB THR A 24 73.003 6.293 -7.769 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.188 4.592 -8.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.444 6.548 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 24 74.941 7.308 -6.596 1.00 0.00 H new ATOM 0 HG23 THR A 24 75.757 5.727 -6.578 1.00 0.00 H new ATOM 333 N TYR A 25 70.782 5.765 -5.780 1.00 0.00 N ATOM 334 CA TYR A 25 69.356 5.351 -5.842 1.00 0.00 C ATOM 335 C TYR A 25 68.969 5.160 -7.311 1.00 0.00 C ATOM 336 O TYR A 25 69.133 6.049 -8.124 1.00 0.00 O ATOM 337 CB TYR A 25 68.502 6.457 -5.216 1.00 0.00 C ATOM 338 CG TYR A 25 67.068 6.006 -5.103 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.206 6.149 -6.192 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.596 5.462 -3.903 1.00 0.00 C ATOM 341 CE1 TYR A 25 64.870 5.749 -6.086 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.259 5.058 -3.795 1.00 0.00 C ATOM 343 CZ TYR A 25 64.396 5.204 -4.887 1.00 0.00 C ATOM 344 OH TYR A 25 63.077 4.810 -4.782 1.00 0.00 O ATOM 0 H TYR A 25 70.934 6.765 -5.651 1.00 0.00 H new ATOM 0 HA TYR A 25 69.197 4.418 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 25 68.890 6.712 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.560 7.360 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.571 6.569 -7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.263 5.354 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.204 5.861 -6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.895 4.635 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 25 62.512 5.418 -5.303 1.00 0.00 H new ATOM 354 N ASN A 26 68.472 4.006 -7.667 1.00 0.00 N ATOM 355 CA ASN A 26 68.098 3.762 -9.090 1.00 0.00 C ATOM 356 C ASN A 26 66.705 4.326 -9.376 1.00 0.00 C ATOM 357 O ASN A 26 65.714 3.627 -9.287 1.00 0.00 O ATOM 358 CB ASN A 26 68.103 2.257 -9.359 1.00 0.00 C ATOM 359 CG ASN A 26 69.464 1.680 -8.969 1.00 0.00 C ATOM 360 OD1 ASN A 26 69.565 0.909 -8.036 1.00 0.00 O ATOM 361 ND2 ASN A 26 70.524 2.029 -9.647 1.00 0.00 N ATOM 0 H ASN A 26 68.309 3.222 -7.035 1.00 0.00 H new ATOM 0 HA ASN A 26 68.819 4.259 -9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 26 67.312 1.771 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.901 2.063 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 26 71.438 1.654 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 26 70.438 2.677 -10.430 1.00 0.00 H new ATOM 368 N SER A 27 66.615 5.581 -9.729 1.00 0.00 N ATOM 369 CA SER A 27 65.280 6.170 -10.030 1.00 0.00 C ATOM 370 C SER A 27 64.861 5.766 -11.443 1.00 0.00 C ATOM 371 O SER A 27 63.719 5.918 -11.829 1.00 0.00 O ATOM 372 CB SER A 27 65.343 7.696 -9.958 1.00 0.00 C ATOM 373 OG SER A 27 65.953 8.096 -8.741 1.00 0.00 O ATOM 0 H SER A 27 67.405 6.220 -9.821 1.00 0.00 H new ATOM 0 HA SER A 27 64.561 5.803 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 27 65.909 8.086 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 27 64.339 8.114 -10.026 1.00 0.00 H new ATOM 0 HG SER A 27 65.269 8.180 -8.044 1.00 0.00 H new ATOM 379 N GLY A 28 65.778 5.257 -12.220 1.00 0.00 N ATOM 380 CA GLY A 28 65.429 4.852 -13.609 1.00 0.00 C ATOM 381 C GLY A 28 64.447 3.684 -13.558 1.00 0.00 C ATOM 382 O GLY A 28 63.955 3.231 -14.572 1.00 0.00 O ATOM 0 H GLY A 28 66.751 5.105 -11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 28 64.987 5.692 -14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.328 4.564 -14.154 1.00 0.00 H new ATOM 386 N VAL A 29 64.148 3.204 -12.377 1.00 0.00 N ATOM 387 CA VAL A 29 63.183 2.072 -12.235 1.00 0.00 C ATOM 388 C VAL A 29 61.842 2.649 -11.760 1.00 0.00 C ATOM 389 O VAL A 29 61.783 3.382 -10.793 1.00 0.00 O ATOM 390 CB VAL A 29 63.725 1.064 -11.206 1.00 0.00 C ATOM 391 CG1 VAL A 29 63.129 -0.324 -11.470 1.00 0.00 C ATOM 392 CG2 VAL A 29 65.252 0.996 -11.321 1.00 0.00 C ATOM 0 H VAL A 29 64.534 3.551 -11.499 1.00 0.00 H new ATOM 0 HA VAL A 29 63.049 1.557 -13.186 1.00 0.00 H new ATOM 0 HB VAL A 29 63.445 1.387 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 29 63.517 -1.032 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 29 62.043 -0.275 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 29 63.402 -0.653 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 65.640 0.283 -10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 29 65.527 0.676 -12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 29 65.676 1.981 -11.125 1.00 0.00 H new ATOM 402 N SER A 30 60.776 2.356 -12.447 1.00 0.00 N ATOM 403 CA SER A 30 59.452 2.917 -12.052 1.00 0.00 C ATOM 404 C SER A 30 59.068 2.489 -10.631 1.00 0.00 C ATOM 405 O SER A 30 58.517 3.265 -9.876 1.00 0.00 O ATOM 406 CB SER A 30 58.387 2.424 -13.030 1.00 0.00 C ATOM 407 OG SER A 30 58.276 1.010 -12.926 1.00 0.00 O ATOM 0 H SER A 30 60.762 1.751 -13.268 1.00 0.00 H new ATOM 0 HA SER A 30 59.518 4.005 -12.076 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.428 2.893 -12.809 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.653 2.706 -14.049 1.00 0.00 H new ATOM 0 HG SER A 30 57.592 0.689 -13.550 1.00 0.00 H new ATOM 413 N VAL A 31 59.328 1.266 -10.261 1.00 0.00 N ATOM 414 CA VAL A 31 58.942 0.812 -8.889 1.00 0.00 C ATOM 415 C VAL A 31 59.649 1.654 -7.823 1.00 0.00 C ATOM 416 O VAL A 31 59.051 2.055 -6.844 1.00 0.00 O ATOM 417 CB VAL A 31 59.332 -0.659 -8.701 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.719 -1.502 -9.822 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.858 -0.793 -8.727 1.00 0.00 C ATOM 0 H VAL A 31 59.787 0.564 -10.841 1.00 0.00 H new ATOM 0 HA VAL A 31 57.864 0.929 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 31 58.956 -1.013 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.998 -2.547 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 57.633 -1.410 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 31 59.089 -1.151 -10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 31 61.134 -1.839 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 61.238 -0.437 -9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 61.289 -0.198 -7.922 1.00 0.00 H new ATOM 429 N CYS A 32 60.917 1.909 -7.989 1.00 0.00 N ATOM 430 CA CYS A 32 61.653 2.701 -6.961 1.00 0.00 C ATOM 431 C CYS A 32 61.031 4.090 -6.806 1.00 0.00 C ATOM 432 O CYS A 32 60.853 4.577 -5.705 1.00 0.00 O ATOM 433 CB CYS A 32 63.113 2.845 -7.386 1.00 0.00 C ATOM 434 SG CYS A 32 63.907 1.221 -7.340 1.00 0.00 S ATOM 0 H CYS A 32 61.474 1.606 -8.788 1.00 0.00 H new ATOM 0 HA CYS A 32 61.591 2.181 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.172 3.264 -8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.632 3.536 -6.721 1.00 0.00 H new ATOM 0 HG CYS A 32 64.835 1.217 -6.429 1.00 0.00 H new ATOM 439 N MET A 33 60.693 4.742 -7.887 1.00 0.00 N ATOM 440 CA MET A 33 60.087 6.098 -7.758 1.00 0.00 C ATOM 441 C MET A 33 58.583 5.954 -7.519 1.00 0.00 C ATOM 442 O MET A 33 57.914 6.896 -7.143 1.00 0.00 O ATOM 443 CB MET A 33 60.327 6.897 -9.042 1.00 0.00 C ATOM 444 CG MET A 33 61.831 7.003 -9.314 1.00 0.00 C ATOM 445 SD MET A 33 62.661 7.840 -7.935 1.00 0.00 S ATOM 446 CE MET A 33 61.864 9.455 -8.113 1.00 0.00 C ATOM 0 H MET A 33 60.808 4.400 -8.841 1.00 0.00 H new ATOM 0 HA MET A 33 60.545 6.623 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.830 6.411 -9.882 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.894 7.893 -8.948 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.254 6.008 -9.452 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.003 7.553 -10.239 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.568 10.240 -7.838 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.551 9.594 -9.148 1.00 0.00 H new ATOM 0 HE3 MET A 33 60.993 9.505 -7.460 1.00 0.00 H new ATOM 456 N GLN A 34 58.048 4.779 -7.719 1.00 0.00 N ATOM 457 CA GLN A 34 56.591 4.583 -7.482 1.00 0.00 C ATOM 458 C GLN A 34 56.288 4.901 -6.018 1.00 0.00 C ATOM 459 O GLN A 34 55.360 5.619 -5.702 1.00 0.00 O ATOM 460 CB GLN A 34 56.200 3.133 -7.785 1.00 0.00 C ATOM 461 CG GLN A 34 54.690 2.971 -7.615 1.00 0.00 C ATOM 462 CD GLN A 34 54.263 1.596 -8.131 1.00 0.00 C ATOM 463 OE1 GLN A 34 55.050 0.670 -8.147 1.00 0.00 O ATOM 464 NE2 GLN A 34 53.043 1.421 -8.562 1.00 0.00 N ATOM 0 H GLN A 34 58.555 3.952 -8.034 1.00 0.00 H new ATOM 0 HA GLN A 34 56.020 5.243 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.493 2.870 -8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.728 2.454 -7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.418 3.078 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.166 3.755 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.381 2.197 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.752 0.508 -8.911 1.00 0.00 H new ATOM 473 N GLY A 35 57.074 4.370 -5.122 1.00 0.00 N ATOM 474 CA GLY A 35 56.848 4.635 -3.674 1.00 0.00 C ATOM 475 C GLY A 35 57.330 6.043 -3.327 1.00 0.00 C ATOM 476 O GLY A 35 56.664 6.786 -2.634 1.00 0.00 O ATOM 0 H GLY A 35 57.866 3.762 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.789 4.534 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.381 3.899 -3.072 1.00 0.00 H new ATOM 480 N LEU A 36 58.489 6.415 -3.799 1.00 0.00 N ATOM 481 CA LEU A 36 59.018 7.775 -3.489 1.00 0.00 C ATOM 482 C LEU A 36 58.045 8.836 -4.023 1.00 0.00 C ATOM 483 O LEU A 36 57.798 9.841 -3.387 1.00 0.00 O ATOM 484 CB LEU A 36 60.391 7.944 -4.158 1.00 0.00 C ATOM 485 CG LEU A 36 61.180 9.092 -3.486 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.955 8.556 -2.273 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.174 9.693 -4.491 1.00 0.00 C ATOM 0 H LEU A 36 59.092 5.837 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 36 59.121 7.895 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.955 7.014 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.262 8.155 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 36 60.478 9.858 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.508 9.371 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.255 8.132 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.652 7.784 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.729 10.502 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.869 8.921 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.630 10.083 -5.351 1.00 0.00 H new ATOM 499 N ASN A 37 57.495 8.617 -5.187 1.00 0.00 N ATOM 500 CA ASN A 37 56.541 9.610 -5.766 1.00 0.00 C ATOM 501 C ASN A 37 55.270 9.685 -4.917 1.00 0.00 C ATOM 502 O ASN A 37 54.721 10.747 -4.706 1.00 0.00 O ATOM 503 CB ASN A 37 56.172 9.198 -7.193 1.00 0.00 C ATOM 504 CG ASN A 37 57.376 9.390 -8.123 1.00 0.00 C ATOM 505 OD1 ASN A 37 57.401 8.856 -9.214 1.00 0.00 O ATOM 506 ND2 ASN A 37 58.379 10.134 -7.741 1.00 0.00 N ATOM 0 H ASN A 37 57.665 7.793 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 37 57.020 10.589 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.853 8.156 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.331 9.794 -7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 37 59.180 10.265 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 37 58.361 10.584 -6.826 1.00 0.00 H new ATOM 513 N GLU A 38 54.786 8.571 -4.442 1.00 0.00 N ATOM 514 CA GLU A 38 53.538 8.595 -3.625 1.00 0.00 C ATOM 515 C GLU A 38 53.842 9.120 -2.223 1.00 0.00 C ATOM 516 O GLU A 38 52.950 9.329 -1.425 1.00 0.00 O ATOM 517 CB GLU A 38 52.958 7.183 -3.528 1.00 0.00 C ATOM 518 CG GLU A 38 52.408 6.762 -4.890 1.00 0.00 C ATOM 519 CD GLU A 38 51.828 5.350 -4.793 1.00 0.00 C ATOM 520 OE1 GLU A 38 52.038 4.713 -3.774 1.00 0.00 O ATOM 521 OE2 GLU A 38 51.183 4.930 -5.738 1.00 0.00 O ATOM 0 H GLU A 38 55.198 7.648 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 38 52.813 9.253 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.728 6.484 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.166 7.155 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.638 7.461 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.200 6.790 -5.638 1.00 0.00 H new ATOM 528 N GLY A 39 55.088 9.337 -1.912 1.00 0.00 N ATOM 529 CA GLY A 39 55.433 9.853 -0.558 1.00 0.00 C ATOM 530 C GLY A 39 55.203 8.756 0.481 1.00 0.00 C ATOM 531 O GLY A 39 54.961 9.027 1.640 1.00 0.00 O ATOM 0 H GLY A 39 55.881 9.180 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.473 10.177 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.822 10.725 -0.323 1.00 0.00 H new ATOM 535 N LYS A 40 55.296 7.516 0.076 1.00 0.00 N ATOM 536 CA LYS A 40 55.105 6.390 1.034 1.00 0.00 C ATOM 537 C LYS A 40 56.492 5.889 1.395 1.00 0.00 C ATOM 538 O LYS A 40 56.673 5.030 2.234 1.00 0.00 O ATOM 539 CB LYS A 40 54.318 5.266 0.350 1.00 0.00 C ATOM 540 CG LYS A 40 52.959 5.787 -0.139 1.00 0.00 C ATOM 541 CD LYS A 40 52.024 6.047 1.050 1.00 0.00 C ATOM 542 CE LYS A 40 50.596 6.251 0.538 1.00 0.00 C ATOM 543 NZ LYS A 40 50.100 4.989 -0.084 1.00 0.00 N ATOM 0 H LYS A 40 55.497 7.235 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 40 54.555 6.710 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.889 4.874 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.169 4.441 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 40 53.098 6.707 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.506 5.061 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.057 5.207 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.354 6.928 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.943 6.544 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.573 7.061 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.064 4.944 0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.367 4.969 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.523 4.173 0.403 1.00 0.00 H new ATOM 557 N VAL A 41 57.475 6.440 0.740 1.00 0.00 N ATOM 558 CA VAL A 41 58.885 6.043 0.982 1.00 0.00 C ATOM 559 C VAL A 41 59.739 7.302 1.082 1.00 0.00 C ATOM 560 O VAL A 41 59.371 8.358 0.607 1.00 0.00 O ATOM 561 CB VAL A 41 59.369 5.209 -0.199 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.850 4.898 -0.063 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.564 3.906 -0.279 1.00 0.00 C ATOM 0 H VAL A 41 57.355 7.164 0.032 1.00 0.00 H new ATOM 0 HA VAL A 41 58.961 5.466 1.903 1.00 0.00 H new ATOM 0 HB VAL A 41 59.220 5.781 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.176 4.302 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.416 5.829 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 41 61.021 4.339 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.914 3.314 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.698 3.338 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.507 4.139 -0.411 1.00 0.00 H new ATOM 573 N ARG A 42 60.885 7.181 1.678 1.00 0.00 N ATOM 574 CA ARG A 42 61.818 8.345 1.811 1.00 0.00 C ATOM 575 C ARG A 42 63.143 7.960 1.171 1.00 0.00 C ATOM 576 O ARG A 42 64.052 8.758 1.051 1.00 0.00 O ATOM 577 CB ARG A 42 62.054 8.662 3.289 1.00 0.00 C ATOM 578 CG ARG A 42 60.722 8.970 3.976 1.00 0.00 C ATOM 579 CD ARG A 42 60.991 9.618 5.336 1.00 0.00 C ATOM 580 NE ARG A 42 61.689 10.918 5.126 1.00 0.00 N ATOM 581 CZ ARG A 42 61.994 11.672 6.145 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.683 11.299 7.356 1.00 0.00 N ATOM 583 NH2 ARG A 42 62.609 12.807 5.951 1.00 0.00 N ATOM 0 H ARG A 42 61.228 6.313 2.089 1.00 0.00 H new ATOM 0 HA ARG A 42 61.389 9.221 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.538 7.817 3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.727 9.514 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.125 9.637 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.146 8.054 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.054 9.776 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.601 8.959 5.953 1.00 0.00 H new ATOM 0 HE ARG A 42 61.929 11.219 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.199 10.414 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.924 11.892 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 62.849 13.102 5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 42 62.849 13.399 6.746 1.00 0.00 H new ATOM 597 N GLY A 43 63.252 6.726 0.767 1.00 0.00 N ATOM 598 CA GLY A 43 64.516 6.237 0.132 1.00 0.00 C ATOM 599 C GLY A 43 64.829 4.851 0.686 1.00 0.00 C ATOM 600 O GLY A 43 63.982 4.222 1.283 1.00 0.00 O ATOM 0 H GLY A 43 62.515 6.026 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.405 6.196 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.336 6.923 0.342 1.00 0.00 H new ATOM 604 N VAL A 44 66.033 4.364 0.500 1.00 0.00 N ATOM 605 CA VAL A 44 66.396 3.007 1.026 1.00 0.00 C ATOM 606 C VAL A 44 67.562 3.133 2.002 1.00 0.00 C ATOM 607 O VAL A 44 68.571 3.731 1.698 1.00 0.00 O ATOM 608 CB VAL A 44 66.822 2.112 -0.138 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.260 0.746 0.399 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.643 1.930 -1.095 1.00 0.00 C ATOM 0 H VAL A 44 66.782 4.848 0.006 1.00 0.00 H new ATOM 0 HA VAL A 44 65.534 2.575 1.534 1.00 0.00 H new ATOM 0 HB VAL A 44 67.654 2.576 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.563 0.109 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.099 0.876 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.429 0.280 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.944 1.292 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.812 1.466 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.332 2.902 -1.478 1.00 0.00 H new ATOM 620 N SER A 45 67.444 2.555 3.165 1.00 0.00 N ATOM 621 CA SER A 45 68.559 2.627 4.147 1.00 0.00 C ATOM 622 C SER A 45 69.574 1.538 3.816 1.00 0.00 C ATOM 623 O SER A 45 69.215 0.403 3.568 1.00 0.00 O ATOM 624 CB SER A 45 68.019 2.406 5.561 1.00 0.00 C ATOM 625 OG SER A 45 69.080 1.978 6.406 1.00 0.00 O ATOM 0 H SER A 45 66.623 2.036 3.477 1.00 0.00 H new ATOM 0 HA SER A 45 69.032 3.608 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.582 3.328 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.225 1.659 5.547 1.00 0.00 H new ATOM 0 HG SER A 45 68.739 1.837 7.314 1.00 0.00 H new ATOM 631 N VAL A 46 70.836 1.875 3.802 1.00 0.00 N ATOM 632 CA VAL A 46 71.892 0.865 3.483 1.00 0.00 C ATOM 633 C VAL A 46 72.981 0.915 4.550 1.00 0.00 C ATOM 634 O VAL A 46 73.449 1.970 4.929 1.00 0.00 O ATOM 635 CB VAL A 46 72.503 1.176 2.113 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.366 2.439 2.196 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.368 -0.001 1.661 1.00 0.00 C ATOM 0 H VAL A 46 71.185 2.813 3.999 1.00 0.00 H new ATOM 0 HA VAL A 46 71.448 -0.130 3.463 1.00 0.00 H new ATOM 0 HB VAL A 46 71.700 1.339 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.796 2.651 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.750 3.281 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.168 2.285 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.803 0.220 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.166 -0.165 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.753 -0.898 1.589 1.00 0.00 H new ATOM 647 N SER A 47 73.390 -0.229 5.022 1.00 0.00 N ATOM 648 CA SER A 47 74.460 -0.296 6.061 1.00 0.00 C ATOM 649 C SER A 47 75.573 -1.198 5.546 1.00 0.00 C ATOM 650 O SER A 47 75.328 -2.146 4.827 1.00 0.00 O ATOM 651 CB SER A 47 73.890 -0.883 7.349 1.00 0.00 C ATOM 652 OG SER A 47 73.796 -2.296 7.216 1.00 0.00 O ATOM 0 H SER A 47 73.024 -1.135 4.729 1.00 0.00 H new ATOM 0 HA SER A 47 74.845 0.703 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.529 -0.627 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.907 -0.458 7.553 1.00 0.00 H new ATOM 0 HG SER A 47 73.432 -2.679 8.041 1.00 0.00 H new ATOM 658 N GLY A 48 76.794 -0.906 5.896 1.00 0.00 N ATOM 659 CA GLY A 48 77.936 -1.748 5.415 1.00 0.00 C ATOM 660 C GLY A 48 78.934 -1.975 6.545 1.00 0.00 C ATOM 661 O GLY A 48 79.224 -1.084 7.317 1.00 0.00 O ATOM 0 H GLY A 48 77.055 -0.122 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.564 -2.706 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.430 -1.258 4.576 1.00 0.00 H new ATOM 665 N VAL A 49 79.473 -3.166 6.635 1.00 0.00 N ATOM 666 CA VAL A 49 80.476 -3.477 7.701 1.00 0.00 C ATOM 667 C VAL A 49 81.732 -4.049 7.054 1.00 0.00 C ATOM 668 O VAL A 49 81.671 -4.975 6.271 1.00 0.00 O ATOM 669 CB VAL A 49 79.911 -4.517 8.673 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.988 -4.886 9.699 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.692 -3.940 9.403 1.00 0.00 C ATOM 0 H VAL A 49 79.259 -3.943 6.010 1.00 0.00 H new ATOM 0 HA VAL A 49 80.709 -2.561 8.244 1.00 0.00 H new ATOM 0 HB VAL A 49 79.609 -5.404 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.591 -5.626 10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.855 -5.300 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.286 -3.994 10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.295 -4.685 10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.988 -3.051 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.925 -3.673 8.676 1.00 0.00 H new ATOM 681 N PHE A 50 82.873 -3.517 7.396 1.00 0.00 N ATOM 682 CA PHE A 50 84.151 -4.038 6.830 1.00 0.00 C ATOM 683 C PHE A 50 84.813 -4.929 7.882 1.00 0.00 C ATOM 684 O PHE A 50 85.165 -4.482 8.956 1.00 0.00 O ATOM 685 CB PHE A 50 85.068 -2.856 6.474 1.00 0.00 C ATOM 686 CG PHE A 50 84.653 -2.276 5.136 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.858 -3.024 3.971 1.00 0.00 C ATOM 688 CD2 PHE A 50 84.070 -1.000 5.053 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.484 -2.506 2.727 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.696 -0.484 3.805 1.00 0.00 C ATOM 691 CZ PHE A 50 83.903 -1.236 2.645 1.00 0.00 C ATOM 0 H PHE A 50 82.976 -2.739 8.047 1.00 0.00 H new ATOM 0 HA PHE A 50 83.964 -4.617 5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 50 85.009 -2.091 7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 50 86.106 -3.187 6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.307 -4.005 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.911 -0.418 5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 50 84.644 -3.086 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 50 83.247 0.496 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.614 -0.836 1.684 1.00 0.00 H new ATOM 701 N TYR A 51 84.974 -6.191 7.584 1.00 0.00 N ATOM 702 CA TYR A 51 85.601 -7.126 8.566 1.00 0.00 C ATOM 703 C TYR A 51 87.106 -7.180 8.313 1.00 0.00 C ATOM 704 O TYR A 51 87.553 -7.499 7.230 1.00 0.00 O ATOM 705 CB TYR A 51 84.995 -8.525 8.388 1.00 0.00 C ATOM 706 CG TYR A 51 83.645 -8.588 9.068 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.519 -8.034 8.448 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.521 -9.203 10.321 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.272 -8.092 9.080 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.275 -9.263 10.953 1.00 0.00 C ATOM 711 CZ TYR A 51 81.149 -8.707 10.332 1.00 0.00 C ATOM 712 OH TYR A 51 79.920 -8.764 10.956 1.00 0.00 O ATOM 0 H TYR A 51 84.697 -6.617 6.699 1.00 0.00 H new ATOM 0 HA TYR A 51 85.416 -6.779 9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.889 -8.754 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.661 -9.277 8.811 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.613 -7.562 7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.389 -9.631 10.799 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.404 -7.662 8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.181 -9.737 11.919 1.00 0.00 H new ATOM 0 HH TYR A 51 80.011 -9.225 11.816 1.00 0.00 H new ATOM 722 N TYR A 52 87.891 -6.864 9.313 1.00 0.00 N ATOM 723 CA TYR A 52 89.375 -6.884 9.153 1.00 0.00 C ATOM 724 C TYR A 52 89.953 -8.112 9.851 1.00 0.00 C ATOM 725 O TYR A 52 89.581 -8.445 10.960 1.00 0.00 O ATOM 726 CB TYR A 52 89.969 -5.620 9.777 1.00 0.00 C ATOM 727 CG TYR A 52 89.482 -4.409 9.018 1.00 0.00 C ATOM 728 CD1 TYR A 52 90.126 -4.018 7.839 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.388 -3.676 9.495 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.678 -2.895 7.136 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.940 -2.551 8.791 1.00 0.00 C ATOM 732 CZ TYR A 52 88.585 -2.161 7.612 1.00 0.00 C ATOM 733 OH TYR A 52 88.143 -1.052 6.918 1.00 0.00 O ATOM 0 H TYR A 52 87.563 -6.591 10.240 1.00 0.00 H new ATOM 0 HA TYR A 52 89.623 -6.922 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.678 -5.547 10.825 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.058 -5.665 9.751 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.969 -4.584 7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.890 -3.978 10.405 1.00 0.00 H new ATOM 0 HE1 TYR A 52 90.175 -2.594 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.097 -1.985 9.158 1.00 0.00 H new ATOM 0 HH TYR A 52 87.375 -0.659 7.384 1.00 0.00 H new ATOM 743 N ASN A 53 90.869 -8.779 9.206 1.00 0.00 N ATOM 744 CA ASN A 53 91.495 -9.984 9.812 1.00 0.00 C ATOM 745 C ASN A 53 92.118 -9.592 11.148 1.00 0.00 C ATOM 746 O ASN A 53 92.506 -10.429 11.940 1.00 0.00 O ATOM 747 CB ASN A 53 92.586 -10.497 8.874 1.00 0.00 C ATOM 748 CG ASN A 53 91.942 -11.072 7.611 1.00 0.00 C ATOM 749 OD1 ASN A 53 90.843 -11.589 7.656 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.579 -10.992 6.475 1.00 0.00 N ATOM 0 H ASN A 53 91.213 -8.537 8.277 1.00 0.00 H new ATOM 0 HA ASN A 53 90.748 -10.763 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.266 -9.687 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.180 -11.263 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.155 -11.363 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.501 -10.558 6.437 1.00 0.00 H new ATOM 757 N ASP A 54 92.211 -8.316 11.402 1.00 0.00 N ATOM 758 CA ASP A 54 92.802 -7.846 12.683 1.00 0.00 C ATOM 759 C ASP A 54 91.793 -8.084 13.808 1.00 0.00 C ATOM 760 O ASP A 54 92.035 -7.759 14.954 1.00 0.00 O ATOM 761 CB ASP A 54 93.112 -6.351 12.576 1.00 0.00 C ATOM 762 CG ASP A 54 93.990 -5.927 13.755 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.480 -5.884 14.862 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.158 -5.655 13.531 1.00 0.00 O ATOM 0 H ASP A 54 91.901 -7.576 10.773 1.00 0.00 H new ATOM 0 HA ASP A 54 93.723 -8.390 12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.621 -6.141 11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.186 -5.776 12.573 1.00 0.00 H new ATOM 769 N GLY A 55 90.667 -8.666 13.489 1.00 0.00 N ATOM 770 CA GLY A 55 89.643 -8.945 14.538 1.00 0.00 C ATOM 771 C GLY A 55 88.868 -7.670 14.869 1.00 0.00 C ATOM 772 O GLY A 55 88.277 -7.559 15.926 1.00 0.00 O ATOM 0 H GLY A 55 90.412 -8.960 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 55 88.956 -9.717 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 55 90.127 -9.329 15.436 1.00 0.00 H new ATOM 776 N THR A 56 88.866 -6.704 13.979 1.00 0.00 N ATOM 777 CA THR A 56 88.127 -5.422 14.245 1.00 0.00 C ATOM 778 C THR A 56 87.067 -5.198 13.178 1.00 0.00 C ATOM 779 O THR A 56 87.234 -5.569 12.041 1.00 0.00 O ATOM 780 CB THR A 56 89.115 -4.251 14.241 1.00 0.00 C ATOM 781 OG1 THR A 56 90.024 -4.400 13.159 1.00 0.00 O ATOM 782 CG2 THR A 56 89.882 -4.233 15.563 1.00 0.00 C ATOM 0 H THR A 56 89.344 -6.746 13.079 1.00 0.00 H new ATOM 0 HA THR A 56 87.642 -5.487 15.219 1.00 0.00 H new ATOM 0 HB THR A 56 88.572 -3.313 14.125 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.884 -3.994 13.396 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.586 -3.401 15.564 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.181 -4.116 16.389 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.427 -5.170 15.680 1.00 0.00 H new ATOM 790 N THR A 57 85.967 -4.591 13.549 1.00 0.00 N ATOM 791 CA THR A 57 84.867 -4.333 12.565 1.00 0.00 C ATOM 792 C THR A 57 84.435 -2.871 12.634 1.00 0.00 C ATOM 793 O THR A 57 84.327 -2.287 13.694 1.00 0.00 O ATOM 794 CB THR A 57 83.661 -5.217 12.901 1.00 0.00 C ATOM 795 OG1 THR A 57 83.158 -4.858 14.180 1.00 0.00 O ATOM 796 CG2 THR A 57 84.086 -6.687 12.914 1.00 0.00 C ATOM 0 H THR A 57 85.782 -4.261 14.496 1.00 0.00 H new ATOM 0 HA THR A 57 85.232 -4.560 11.563 1.00 0.00 H new ATOM 0 HB THR A 57 82.886 -5.074 12.148 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.385 -5.420 14.397 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.226 -7.312 13.153 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.473 -6.962 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 57 84.862 -6.835 13.665 1.00 0.00 H new ATOM 804 N SER A 58 84.154 -2.293 11.498 1.00 0.00 N ATOM 805 CA SER A 58 83.683 -0.877 11.438 1.00 0.00 C ATOM 806 C SER A 58 82.275 -0.910 10.860 1.00 0.00 C ATOM 807 O SER A 58 82.002 -1.690 9.972 1.00 0.00 O ATOM 808 CB SER A 58 84.596 -0.067 10.516 1.00 0.00 C ATOM 809 OG SER A 58 84.061 1.240 10.361 1.00 0.00 O ATOM 0 H SER A 58 84.232 -2.751 10.590 1.00 0.00 H new ATOM 0 HA SER A 58 83.696 -0.416 12.425 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.601 -0.014 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.680 -0.556 9.546 1.00 0.00 H new ATOM 0 HG SER A 58 84.710 1.900 10.683 1.00 0.00 H new ATOM 815 N ASN A 59 81.370 -0.102 11.350 1.00 0.00 N ATOM 816 CA ASN A 59 79.972 -0.129 10.809 1.00 0.00 C ATOM 817 C ASN A 59 79.525 1.289 10.466 1.00 0.00 C ATOM 818 O ASN A 59 79.401 2.134 11.333 1.00 0.00 O ATOM 819 CB ASN A 59 79.042 -0.700 11.883 1.00 0.00 C ATOM 820 CG ASN A 59 79.625 -2.010 12.423 1.00 0.00 C ATOM 821 OD1 ASN A 59 80.075 -2.846 11.666 1.00 0.00 O ATOM 822 ND2 ASN A 59 79.638 -2.223 13.710 1.00 0.00 N ATOM 0 H ASN A 59 81.534 0.573 12.097 1.00 0.00 H new ATOM 0 HA ASN A 59 79.938 -0.745 9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.922 0.018 12.694 1.00 0.00 H new ATOM 0 HB3 ASN A 59 78.051 -0.876 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 59 80.026 -3.091 14.079 1.00 0.00 H new ATOM 0 HD22 ASN A 59 79.260 -1.521 14.347 1.00 0.00 H new ATOM 829 N PHE A 60 79.260 1.550 9.206 1.00 0.00 N ATOM 830 CA PHE A 60 78.790 2.907 8.784 1.00 0.00 C ATOM 831 C PHE A 60 77.382 2.768 8.217 1.00 0.00 C ATOM 832 O PHE A 60 77.139 2.003 7.306 1.00 0.00 O ATOM 833 CB PHE A 60 79.718 3.465 7.709 1.00 0.00 C ATOM 834 CG PHE A 60 79.444 4.936 7.501 1.00 0.00 C ATOM 835 CD1 PHE A 60 78.390 5.343 6.676 1.00 0.00 C ATOM 836 CD2 PHE A 60 80.252 5.893 8.128 1.00 0.00 C ATOM 837 CE1 PHE A 60 78.144 6.707 6.476 1.00 0.00 C ATOM 838 CE2 PHE A 60 80.005 7.256 7.929 1.00 0.00 C ATOM 839 CZ PHE A 60 78.951 7.663 7.103 1.00 0.00 C ATOM 0 H PHE A 60 79.351 0.874 8.447 1.00 0.00 H new ATOM 0 HA PHE A 60 78.792 3.586 9.637 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.757 3.318 8.003 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.572 2.924 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.766 4.605 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.066 5.579 8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.331 7.021 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.628 7.994 8.413 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.760 8.715 6.949 1.00 0.00 H new ATOM 849 N LYS A 61 76.462 3.504 8.759 1.00 0.00 N ATOM 850 CA LYS A 61 75.052 3.451 8.292 1.00 0.00 C ATOM 851 C LYS A 61 74.704 4.798 7.675 1.00 0.00 C ATOM 852 O LYS A 61 75.170 5.834 8.104 1.00 0.00 O ATOM 853 CB LYS A 61 74.125 3.171 9.476 1.00 0.00 C ATOM 854 CG LYS A 61 72.675 3.090 8.991 1.00 0.00 C ATOM 855 CD LYS A 61 71.778 2.628 10.145 1.00 0.00 C ATOM 856 CE LYS A 61 70.304 2.705 9.728 1.00 0.00 C ATOM 857 NZ LYS A 61 69.444 2.689 10.946 1.00 0.00 N ATOM 0 H LYS A 61 76.630 4.157 9.525 1.00 0.00 H new ATOM 0 HA LYS A 61 74.929 2.656 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.409 2.236 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.225 3.959 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.346 4.064 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.598 2.395 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.032 1.606 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.949 3.252 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.124 3.614 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.053 1.864 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.444 2.741 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 69.609 1.810 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.678 3.505 11.547 1.00 0.00 H new ATOM 871 N GLY A 62 73.888 4.786 6.678 1.00 0.00 N ATOM 872 CA GLY A 62 73.492 6.062 6.016 1.00 0.00 C ATOM 873 C GLY A 62 72.250 5.819 5.162 1.00 0.00 C ATOM 874 O GLY A 62 71.862 4.693 4.935 1.00 0.00 O ATOM 0 H GLY A 62 73.469 3.945 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.289 6.827 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.308 6.432 5.396 1.00 0.00 H new ATOM 878 N VAL A 63 71.621 6.868 4.693 1.00 0.00 N ATOM 879 CA VAL A 63 70.391 6.708 3.852 1.00 0.00 C ATOM 880 C VAL A 63 70.705 7.115 2.412 1.00 0.00 C ATOM 881 O VAL A 63 71.213 8.189 2.156 1.00 0.00 O ATOM 882 CB VAL A 63 69.284 7.606 4.408 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.992 7.393 3.614 1.00 0.00 C ATOM 884 CG2 VAL A 63 69.042 7.255 5.876 1.00 0.00 C ATOM 0 H VAL A 63 71.907 7.833 4.856 1.00 0.00 H new ATOM 0 HA VAL A 63 70.063 5.669 3.871 1.00 0.00 H new ATOM 0 HB VAL A 63 69.588 8.649 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.208 8.035 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.164 7.641 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.683 6.351 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.254 7.892 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.740 6.211 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.959 7.412 6.444 1.00 0.00 H new ATOM 894 N VAL A 64 70.410 6.261 1.470 1.00 0.00 N ATOM 895 CA VAL A 64 70.693 6.585 0.043 1.00 0.00 C ATOM 896 C VAL A 64 69.489 7.296 -0.575 1.00 0.00 C ATOM 897 O VAL A 64 68.404 6.750 -0.669 1.00 0.00 O ATOM 898 CB VAL A 64 70.955 5.285 -0.728 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.412 5.604 -2.155 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.045 4.485 -0.018 1.00 0.00 C ATOM 0 H VAL A 64 69.983 5.348 1.629 1.00 0.00 H new ATOM 0 HA VAL A 64 71.567 7.235 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 64 70.034 4.703 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.596 4.675 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.636 6.174 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.330 6.191 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.232 3.561 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.961 5.075 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.721 4.248 0.995 1.00 0.00 H new ATOM 910 N THR A 65 69.695 8.506 -1.020 1.00 0.00 N ATOM 911 CA THR A 65 68.609 9.295 -1.675 1.00 0.00 C ATOM 912 C THR A 65 69.170 9.792 -3.011 1.00 0.00 C ATOM 913 O THR A 65 70.360 10.003 -3.129 1.00 0.00 O ATOM 914 CB THR A 65 68.240 10.497 -0.793 1.00 0.00 C ATOM 915 OG1 THR A 65 69.304 11.434 -0.814 1.00 0.00 O ATOM 916 CG2 THR A 65 67.995 10.033 0.645 1.00 0.00 C ATOM 0 H THR A 65 70.589 8.992 -0.956 1.00 0.00 H new ATOM 0 HA THR A 65 67.715 8.689 -1.822 1.00 0.00 H new ATOM 0 HB THR A 65 67.332 10.962 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.997 12.268 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.734 10.891 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.178 9.312 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.899 9.565 1.035 1.00 0.00 H new ATOM 924 N PRO A 66 68.357 9.975 -4.020 1.00 0.00 N ATOM 925 CA PRO A 66 68.858 10.445 -5.341 1.00 0.00 C ATOM 926 C PRO A 66 69.711 11.713 -5.198 1.00 0.00 C ATOM 927 O PRO A 66 70.437 12.086 -6.099 1.00 0.00 O ATOM 928 CB PRO A 66 67.578 10.709 -6.171 1.00 0.00 C ATOM 929 CG PRO A 66 66.438 10.653 -5.193 1.00 0.00 C ATOM 930 CD PRO A 66 66.901 9.772 -4.034 1.00 0.00 C ATOM 0 HA PRO A 66 69.510 9.714 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.624 11.681 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.458 9.961 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 66 66.180 11.652 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.545 10.239 -5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.443 10.073 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.642 8.726 -4.195 1.00 0.00 H new ATOM 938 N SER A 67 69.623 12.379 -4.071 1.00 0.00 N ATOM 939 CA SER A 67 70.417 13.631 -3.855 1.00 0.00 C ATOM 940 C SER A 67 71.553 13.387 -2.849 1.00 0.00 C ATOM 941 O SER A 67 72.440 14.205 -2.712 1.00 0.00 O ATOM 942 CB SER A 67 69.489 14.717 -3.309 1.00 0.00 C ATOM 943 OG SER A 67 69.086 14.370 -1.990 1.00 0.00 O ATOM 0 H SER A 67 69.031 12.107 -3.286 1.00 0.00 H new ATOM 0 HA SER A 67 70.852 13.942 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 67 70.000 15.680 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.616 14.823 -3.953 1.00 0.00 H new ATOM 0 HG SER A 67 68.492 15.065 -1.636 1.00 0.00 H new ATOM 949 N THR A 68 71.532 12.281 -2.135 1.00 0.00 N ATOM 950 CA THR A 68 72.616 12.007 -1.128 1.00 0.00 C ATOM 951 C THR A 68 73.148 10.568 -1.283 1.00 0.00 C ATOM 952 O THR A 68 72.486 9.626 -0.891 1.00 0.00 O ATOM 953 CB THR A 68 72.031 12.156 0.280 1.00 0.00 C ATOM 954 OG1 THR A 68 71.448 13.445 0.416 1.00 0.00 O ATOM 955 CG2 THR A 68 73.143 11.985 1.317 1.00 0.00 C ATOM 0 H THR A 68 70.815 11.559 -2.205 1.00 0.00 H new ATOM 0 HA THR A 68 73.432 12.712 -1.289 1.00 0.00 H new ATOM 0 HB THR A 68 71.268 11.394 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 68 71.072 13.541 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.726 12.091 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.589 10.996 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.907 12.746 1.160 1.00 0.00 H new ATOM 963 N PRO A 69 74.341 10.382 -1.814 1.00 0.00 N ATOM 964 CA PRO A 69 74.942 9.027 -1.965 1.00 0.00 C ATOM 965 C PRO A 69 75.731 8.609 -0.714 1.00 0.00 C ATOM 966 O PRO A 69 76.096 9.436 0.100 1.00 0.00 O ATOM 967 CB PRO A 69 75.878 9.206 -3.159 1.00 0.00 C ATOM 968 CG PRO A 69 76.364 10.621 -3.051 1.00 0.00 C ATOM 969 CD PRO A 69 75.248 11.420 -2.346 1.00 0.00 C ATOM 0 HA PRO A 69 74.194 8.246 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.706 8.499 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.356 9.037 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.293 10.669 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.572 11.035 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.649 12.046 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.732 12.082 -3.041 1.00 0.00 H new ATOM 977 N VAL A 70 76.008 7.334 -0.564 1.00 0.00 N ATOM 978 CA VAL A 70 76.788 6.845 0.623 1.00 0.00 C ATOM 979 C VAL A 70 78.062 6.160 0.117 1.00 0.00 C ATOM 980 O VAL A 70 78.012 5.314 -0.754 1.00 0.00 O ATOM 981 CB VAL A 70 75.936 5.843 1.407 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.720 5.338 2.619 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.653 6.532 1.884 1.00 0.00 C ATOM 0 H VAL A 70 75.725 6.604 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 70 77.050 7.678 1.276 1.00 0.00 H new ATOM 0 HB VAL A 70 75.684 5.001 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.111 4.625 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.635 4.849 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.974 6.179 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.044 5.821 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.910 7.374 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.091 6.892 1.022 1.00 0.00 H new ATOM 993 N ASN A 71 79.211 6.538 0.632 1.00 0.00 N ATOM 994 CA ASN A 71 80.499 5.930 0.155 1.00 0.00 C ATOM 995 C ASN A 71 81.053 4.926 1.174 1.00 0.00 C ATOM 996 O ASN A 71 81.218 5.243 2.335 1.00 0.00 O ATOM 997 CB ASN A 71 81.527 7.049 -0.030 1.00 0.00 C ATOM 998 CG ASN A 71 81.681 7.827 1.278 1.00 0.00 C ATOM 999 OD1 ASN A 71 82.402 7.410 2.165 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.032 8.948 1.438 1.00 0.00 N ATOM 0 H ASN A 71 79.313 7.242 1.363 1.00 0.00 H new ATOM 0 HA ASN A 71 80.308 5.406 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.487 6.629 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 71 81.209 7.720 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.129 9.474 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 71 80.428 9.298 0.695 1.00 0.00 H new ATOM 1007 N THR A 72 81.379 3.732 0.751 1.00 0.00 N ATOM 1008 CA THR A 72 81.968 2.732 1.696 1.00 0.00 C ATOM 1009 C THR A 72 83.488 2.899 1.665 1.00 0.00 C ATOM 1010 O THR A 72 84.221 2.200 2.338 1.00 0.00 O ATOM 1011 CB THR A 72 81.607 1.309 1.239 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.614 0.827 0.360 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.266 1.322 0.508 1.00 0.00 C ATOM 0 H THR A 72 81.263 3.405 -0.208 1.00 0.00 H new ATOM 0 HA THR A 72 81.580 2.889 2.703 1.00 0.00 H new ATOM 0 HB THR A 72 81.536 0.660 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.387 -0.081 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.017 0.311 0.187 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.490 1.692 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.333 1.973 -0.364 1.00 0.00 H new ATOM 1021 N ASN A 73 83.959 3.825 0.872 1.00 0.00 N ATOM 1022 CA ASN A 73 85.422 4.059 0.760 1.00 0.00 C ATOM 1023 C ASN A 73 85.939 4.627 2.075 1.00 0.00 C ATOM 1024 O ASN A 73 86.471 5.718 2.131 1.00 0.00 O ATOM 1025 CB ASN A 73 85.686 5.064 -0.362 1.00 0.00 C ATOM 1026 CG ASN A 73 87.191 5.283 -0.515 1.00 0.00 C ATOM 1027 OD1 ASN A 73 87.953 5.000 0.388 1.00 0.00 O ATOM 1028 ND2 ASN A 73 87.654 5.784 -1.627 1.00 0.00 N ATOM 0 H ASN A 73 83.382 4.434 0.292 1.00 0.00 H new ATOM 0 HA ASN A 73 85.930 3.120 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.265 4.697 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.192 6.010 -0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 73 88.656 5.938 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.014 6.021 -2.385 1.00 0.00 H new ATOM 1035 N GLN A 74 85.784 3.890 3.130 1.00 0.00 N ATOM 1036 CA GLN A 74 86.264 4.376 4.451 1.00 0.00 C ATOM 1037 C GLN A 74 87.798 4.408 4.449 1.00 0.00 C ATOM 1038 O GLN A 74 88.400 5.260 3.825 1.00 0.00 O ATOM 1039 CB GLN A 74 85.748 3.443 5.550 1.00 0.00 C ATOM 1040 CG GLN A 74 86.067 4.036 6.925 1.00 0.00 C ATOM 1041 CD GLN A 74 85.543 3.098 8.014 1.00 0.00 C ATOM 1042 OE1 GLN A 74 85.938 3.194 9.159 1.00 0.00 O ATOM 1043 NE2 GLN A 74 84.661 2.188 7.702 1.00 0.00 N ATOM 0 H GLN A 74 85.345 2.969 3.138 1.00 0.00 H new ATOM 0 HA GLN A 74 85.890 5.382 4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 74 84.672 3.302 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 74 86.209 2.460 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 74 87.143 4.173 7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 74 85.608 5.020 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 74 84.329 2.107 6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 74 84.303 1.557 8.419 1.00 0.00 H new ATOM 1052 N ASP A 75 88.441 3.489 5.133 1.00 0.00 N ATOM 1053 CA ASP A 75 89.939 3.473 5.161 1.00 0.00 C ATOM 1054 C ASP A 75 90.462 2.363 4.243 1.00 0.00 C ATOM 1055 O ASP A 75 90.589 1.223 4.647 1.00 0.00 O ATOM 1056 CB ASP A 75 90.409 3.204 6.593 1.00 0.00 C ATOM 1057 CG ASP A 75 91.935 3.289 6.656 1.00 0.00 C ATOM 1058 OD1 ASP A 75 92.553 3.264 5.605 1.00 0.00 O ATOM 1059 OD2 ASP A 75 92.459 3.374 7.755 1.00 0.00 O ATOM 0 H ASP A 75 87.992 2.749 5.673 1.00 0.00 H new ATOM 0 HA ASP A 75 90.319 4.435 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.966 3.930 7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 75 90.076 2.218 6.917 1.00 0.00 H new ATOM 1064 N ILE A 76 90.780 2.682 3.016 1.00 0.00 N ATOM 1065 CA ILE A 76 91.307 1.639 2.090 1.00 0.00 C ATOM 1066 C ILE A 76 92.752 1.304 2.460 1.00 0.00 C ATOM 1067 O ILE A 76 93.210 0.199 2.251 1.00 0.00 O ATOM 1068 CB ILE A 76 91.235 2.134 0.638 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.770 2.190 0.198 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.011 1.181 -0.283 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.666 2.899 -1.152 1.00 0.00 C ATOM 0 H ILE A 76 90.698 3.617 2.617 1.00 0.00 H new ATOM 0 HA ILE A 76 90.697 0.740 2.182 1.00 0.00 H new ATOM 0 HB ILE A 76 91.679 3.127 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.364 1.181 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.176 2.718 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.954 1.541 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 76 93.054 1.142 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.576 0.183 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.622 2.938 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.055 3.913 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 76 90.246 2.353 -1.896 1.00 0.00 H new ATOM 1083 N ASN A 77 93.485 2.241 3.000 1.00 0.00 N ATOM 1084 CA ASN A 77 94.895 1.933 3.358 1.00 0.00 C ATOM 1085 C ASN A 77 94.891 0.790 4.366 1.00 0.00 C ATOM 1086 O ASN A 77 95.674 -0.127 4.273 1.00 0.00 O ATOM 1087 CB ASN A 77 95.563 3.165 3.973 1.00 0.00 C ATOM 1088 CG ASN A 77 95.555 4.308 2.957 1.00 0.00 C ATOM 1089 OD1 ASN A 77 95.949 4.131 1.822 1.00 0.00 O ATOM 1090 ND2 ASN A 77 95.120 5.482 3.321 1.00 0.00 N ATOM 0 H ASN A 77 93.173 3.190 3.205 1.00 0.00 H new ATOM 0 HA ASN A 77 95.453 1.649 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.035 3.465 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 77 96.587 2.930 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 77 95.111 6.252 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 77 94.789 5.630 4.274 1.00 0.00 H new ATOM 1097 N LYS A 78 94.005 0.829 5.321 1.00 0.00 N ATOM 1098 CA LYS A 78 93.940 -0.276 6.316 1.00 0.00 C ATOM 1099 C LYS A 78 93.523 -1.560 5.598 1.00 0.00 C ATOM 1100 O LYS A 78 94.045 -2.626 5.854 1.00 0.00 O ATOM 1101 CB LYS A 78 92.893 0.062 7.380 1.00 0.00 C ATOM 1102 CG LYS A 78 92.876 -1.022 8.462 1.00 0.00 C ATOM 1103 CD LYS A 78 91.700 -0.773 9.403 1.00 0.00 C ATOM 1104 CE LYS A 78 91.671 -1.863 10.476 1.00 0.00 C ATOM 1105 NZ LYS A 78 90.633 -1.535 11.491 1.00 0.00 N ATOM 0 H LYS A 78 93.324 1.577 5.455 1.00 0.00 H new ATOM 0 HA LYS A 78 94.914 -0.408 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.117 1.030 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.908 0.143 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.789 -2.008 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.812 -1.011 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.793 0.208 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.765 -0.773 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.457 -2.830 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 78 92.648 -1.944 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.409 -2.386 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.990 -0.792 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 89.773 -1.198 11.012 1.00 0.00 H new ATOM 1119 N THR A 79 92.571 -1.461 4.710 1.00 0.00 N ATOM 1120 CA THR A 79 92.093 -2.668 3.980 1.00 0.00 C ATOM 1121 C THR A 79 93.175 -3.161 3.004 1.00 0.00 C ATOM 1122 O THR A 79 93.431 -4.334 2.898 1.00 0.00 O ATOM 1123 CB THR A 79 90.763 -2.315 3.271 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.763 -3.227 3.688 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.881 -2.360 1.737 1.00 0.00 C ATOM 0 H THR A 79 92.102 -0.591 4.458 1.00 0.00 H new ATOM 0 HA THR A 79 91.904 -3.490 4.670 1.00 0.00 H new ATOM 0 HB THR A 79 90.503 -1.293 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.888 -2.786 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.920 -2.104 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.635 -1.645 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.171 -3.363 1.424 1.00 0.00 H new ATOM 1133 N ASN A 80 93.821 -2.287 2.298 1.00 0.00 N ATOM 1134 CA ASN A 80 94.881 -2.752 1.359 1.00 0.00 C ATOM 1135 C ASN A 80 96.009 -3.411 2.158 1.00 0.00 C ATOM 1136 O ASN A 80 96.654 -4.332 1.697 1.00 0.00 O ATOM 1137 CB ASN A 80 95.431 -1.567 0.563 1.00 0.00 C ATOM 1138 CG ASN A 80 96.336 -2.080 -0.559 1.00 0.00 C ATOM 1139 OD1 ASN A 80 96.163 -3.184 -1.036 1.00 0.00 O ATOM 1140 ND2 ASN A 80 97.298 -1.320 -1.003 1.00 0.00 N ATOM 0 H ASN A 80 93.668 -1.279 2.325 1.00 0.00 H new ATOM 0 HA ASN A 80 94.457 -3.475 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 80 94.610 -0.984 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.991 -0.902 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 80 97.906 -1.652 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 80 97.442 -0.393 -0.602 1.00 0.00 H new ATOM 1147 N LYS A 81 96.255 -2.941 3.345 1.00 0.00 N ATOM 1148 CA LYS A 81 97.343 -3.525 4.177 1.00 0.00 C ATOM 1149 C LYS A 81 96.970 -4.933 4.646 1.00 0.00 C ATOM 1150 O LYS A 81 97.775 -5.842 4.595 1.00 0.00 O ATOM 1151 CB LYS A 81 97.543 -2.651 5.420 1.00 0.00 C ATOM 1152 CG LYS A 81 98.798 -3.098 6.197 1.00 0.00 C ATOM 1153 CD LYS A 81 98.665 -2.693 7.670 1.00 0.00 C ATOM 1154 CE LYS A 81 100.036 -2.745 8.349 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.892 -2.369 9.784 1.00 0.00 N ATOM 0 H LYS A 81 95.746 -2.171 3.780 1.00 0.00 H new ATOM 0 HA LYS A 81 98.251 -3.571 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.643 -1.606 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.666 -2.718 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.922 -4.178 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.688 -2.642 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.250 -1.688 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.971 -3.362 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.458 -3.746 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.727 -2.065 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.823 -2.404 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 99.506 -1.406 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 99.246 -3.035 10.254 1.00 0.00 H new ATOM 1169 N VAL A 82 95.772 -5.105 5.156 1.00 0.00 N ATOM 1170 CA VAL A 82 95.358 -6.442 5.696 1.00 0.00 C ATOM 1171 C VAL A 82 94.256 -7.087 4.834 1.00 0.00 C ATOM 1172 O VAL A 82 94.147 -8.295 4.769 1.00 0.00 O ATOM 1173 CB VAL A 82 94.873 -6.228 7.139 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.461 -5.632 7.150 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.884 -7.562 7.890 1.00 0.00 C ATOM 0 H VAL A 82 95.062 -4.376 5.222 1.00 0.00 H new ATOM 0 HA VAL A 82 96.205 -7.128 5.674 1.00 0.00 H new ATOM 0 HB VAL A 82 95.546 -5.529 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 82 93.135 -5.488 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.467 -4.672 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.775 -6.312 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 82 94.540 -7.407 8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 82 94.223 -8.268 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.898 -7.963 7.905 1.00 0.00 H new ATOM 1185 N GLY A 83 93.451 -6.307 4.162 1.00 0.00 N ATOM 1186 CA GLY A 83 92.384 -6.888 3.300 1.00 0.00 C ATOM 1187 C GLY A 83 91.109 -7.108 4.106 1.00 0.00 C ATOM 1188 O GLY A 83 91.086 -7.003 5.315 1.00 0.00 O ATOM 0 H GLY A 83 93.488 -5.288 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.181 -6.221 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.723 -7.834 2.879 1.00 0.00 H new ATOM 1192 N VAL A 84 90.047 -7.415 3.418 1.00 0.00 N ATOM 1193 CA VAL A 84 88.728 -7.657 4.083 1.00 0.00 C ATOM 1194 C VAL A 84 88.321 -9.116 3.867 1.00 0.00 C ATOM 1195 O VAL A 84 88.332 -9.612 2.758 1.00 0.00 O ATOM 1196 CB VAL A 84 87.676 -6.751 3.446 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.365 -6.854 4.229 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.178 -5.308 3.460 1.00 0.00 C ATOM 0 H VAL A 84 90.033 -7.511 2.403 1.00 0.00 H new ATOM 0 HA VAL A 84 88.806 -7.446 5.149 1.00 0.00 H new ATOM 0 HB VAL A 84 87.500 -7.063 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.617 -6.207 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 84 86.012 -7.885 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.532 -6.544 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.430 -4.658 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.355 -4.994 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.108 -5.241 2.895 1.00 0.00 H new ATOM 1208 N GLN A 85 87.959 -9.810 4.912 1.00 0.00 N ATOM 1209 CA GLN A 85 87.552 -11.236 4.748 1.00 0.00 C ATOM 1210 C GLN A 85 86.105 -11.322 4.250 1.00 0.00 C ATOM 1211 O GLN A 85 85.851 -11.756 3.144 1.00 0.00 O ATOM 1212 CB GLN A 85 87.667 -11.953 6.096 1.00 0.00 C ATOM 1213 CG GLN A 85 87.229 -13.413 5.940 1.00 0.00 C ATOM 1214 CD GLN A 85 87.523 -14.176 7.233 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.220 -13.685 8.098 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.005 -15.362 7.407 1.00 0.00 N ATOM 0 H GLN A 85 87.927 -9.454 5.867 1.00 0.00 H new ATOM 0 HA GLN A 85 88.207 -11.710 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.694 -11.908 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.045 -11.454 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.164 -13.462 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.756 -13.875 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.420 -15.774 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.186 -15.876 8.269 1.00 0.00 H new ATOM 1225 N LYS A 86 85.155 -10.928 5.068 1.00 0.00 N ATOM 1226 CA LYS A 86 83.711 -10.999 4.664 1.00 0.00 C ATOM 1227 C LYS A 86 83.092 -9.597 4.602 1.00 0.00 C ATOM 1228 O LYS A 86 83.342 -8.753 5.439 1.00 0.00 O ATOM 1229 CB LYS A 86 82.948 -11.850 5.681 1.00 0.00 C ATOM 1230 CG LYS A 86 83.210 -11.325 7.093 1.00 0.00 C ATOM 1231 CD LYS A 86 82.387 -12.132 8.108 1.00 0.00 C ATOM 1232 CE LYS A 86 82.793 -13.613 8.071 1.00 0.00 C ATOM 1233 NZ LYS A 86 82.007 -14.319 7.018 1.00 0.00 N ATOM 0 H LYS A 86 85.319 -10.558 6.004 1.00 0.00 H new ATOM 0 HA LYS A 86 83.645 -11.448 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 86 81.880 -11.822 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 86 83.261 -12.891 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.272 -11.402 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 86 82.945 -10.269 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.540 -11.731 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.325 -12.034 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.860 -13.703 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.615 -14.074 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 81.476 -15.103 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 81.342 -13.653 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 82.654 -14.694 6.295 1.00 0.00 H new ATOM 1247 N TYR A 87 82.267 -9.363 3.611 1.00 0.00 N ATOM 1248 CA TYR A 87 81.585 -8.036 3.460 1.00 0.00 C ATOM 1249 C TYR A 87 80.072 -8.271 3.516 1.00 0.00 C ATOM 1250 O TYR A 87 79.559 -9.158 2.862 1.00 0.00 O ATOM 1251 CB TYR A 87 81.977 -7.421 2.114 1.00 0.00 C ATOM 1252 CG TYR A 87 81.299 -6.083 1.947 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.922 -4.922 2.421 1.00 0.00 C ATOM 1254 CD2 TYR A 87 80.058 -6.001 1.307 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.301 -3.679 2.259 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.436 -4.757 1.146 1.00 0.00 C ATOM 1257 CZ TYR A 87 80.057 -3.596 1.621 1.00 0.00 C ATOM 1258 OH TYR A 87 79.445 -2.371 1.461 1.00 0.00 O ATOM 0 H TYR A 87 82.033 -10.044 2.889 1.00 0.00 H new ATOM 0 HA TYR A 87 81.882 -7.353 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 87 83.059 -7.300 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.690 -8.088 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.882 -4.986 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.580 -6.896 0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.781 -2.784 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.476 -4.693 0.655 1.00 0.00 H new ATOM 0 HH TYR A 87 78.590 -2.491 0.998 1.00 0.00 H new ATOM 1268 N ARG A 88 79.349 -7.503 4.306 1.00 0.00 N ATOM 1269 CA ARG A 88 77.864 -7.709 4.415 1.00 0.00 C ATOM 1270 C ARG A 88 77.118 -6.379 4.265 1.00 0.00 C ATOM 1271 O ARG A 88 77.454 -5.392 4.888 1.00 0.00 O ATOM 1272 CB ARG A 88 77.549 -8.305 5.788 1.00 0.00 C ATOM 1273 CG ARG A 88 78.095 -9.733 5.865 1.00 0.00 C ATOM 1274 CD ARG A 88 77.778 -10.328 7.238 1.00 0.00 C ATOM 1275 NE ARG A 88 78.310 -11.719 7.312 1.00 0.00 N ATOM 1276 CZ ARG A 88 77.955 -12.501 8.296 1.00 0.00 C ATOM 1277 NH1 ARG A 88 77.146 -12.059 9.220 1.00 0.00 N ATOM 1278 NH2 ARG A 88 78.413 -13.722 8.358 1.00 0.00 N ATOM 0 H ARG A 88 79.723 -6.745 4.878 1.00 0.00 H new ATOM 0 HA ARG A 88 77.541 -8.382 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.993 -7.692 6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.472 -8.307 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.652 -10.346 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.172 -9.731 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.222 -9.715 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.701 -10.330 7.406 1.00 0.00 H new ATOM 0 HE ARG A 88 78.951 -12.059 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.792 -11.104 9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 88 76.868 -12.669 9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 88 79.048 -14.066 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 88 78.136 -14.332 9.127 1.00 0.00 H new ATOM 1292 N ALA A 89 76.093 -6.364 3.446 1.00 0.00 N ATOM 1293 CA ALA A 89 75.281 -5.119 3.236 1.00 0.00 C ATOM 1294 C ALA A 89 73.808 -5.407 3.554 1.00 0.00 C ATOM 1295 O ALA A 89 73.274 -6.431 3.172 1.00 0.00 O ATOM 1296 CB ALA A 89 75.400 -4.671 1.779 1.00 0.00 C ATOM 0 H ALA A 89 75.779 -7.171 2.907 1.00 0.00 H new ATOM 0 HA ALA A 89 75.652 -4.333 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.810 -3.767 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.445 -4.466 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.030 -5.460 1.124 1.00 0.00 H new ATOM 1302 N LEU A 90 73.151 -4.506 4.245 1.00 0.00 N ATOM 1303 CA LEU A 90 71.703 -4.704 4.593 1.00 0.00 C ATOM 1304 C LEU A 90 70.883 -3.600 3.928 1.00 0.00 C ATOM 1305 O LEU A 90 71.235 -2.438 3.980 1.00 0.00 O ATOM 1306 CB LEU A 90 71.531 -4.616 6.111 1.00 0.00 C ATOM 1307 CG LEU A 90 70.067 -4.871 6.513 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.684 -6.337 6.245 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.906 -4.564 8.006 1.00 0.00 C ATOM 0 H LEU A 90 73.557 -3.635 4.586 1.00 0.00 H new ATOM 0 HA LEU A 90 71.366 -5.680 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.178 -5.346 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.842 -3.631 6.460 1.00 0.00 H new ATOM 0 HG LEU A 90 69.413 -4.229 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.646 -6.501 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.804 -6.556 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.331 -6.994 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.873 -4.741 8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.566 -5.211 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.165 -3.522 8.193 1.00 0.00 H new ATOM 1321 N THR A 91 69.797 -3.959 3.295 1.00 0.00 N ATOM 1322 CA THR A 91 68.938 -2.939 2.601 1.00 0.00 C ATOM 1323 C THR A 91 67.469 -3.087 3.024 1.00 0.00 C ATOM 1324 O THR A 91 66.861 -4.127 2.867 1.00 0.00 O ATOM 1325 CB THR A 91 69.054 -3.137 1.085 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.978 -4.523 0.781 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.388 -2.574 0.594 1.00 0.00 C ATOM 0 H THR A 91 69.462 -4.920 3.225 1.00 0.00 H new ATOM 0 HA THR A 91 69.279 -1.942 2.879 1.00 0.00 H new ATOM 0 HB THR A 91 68.238 -2.613 0.587 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.267 -4.936 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.468 -2.716 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.441 -1.510 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.207 -3.094 1.090 1.00 0.00 H new ATOM 1335 N GLU A 92 66.907 -2.030 3.559 1.00 0.00 N ATOM 1336 CA GLU A 92 65.475 -2.055 4.006 1.00 0.00 C ATOM 1337 C GLU A 92 64.744 -0.812 3.482 1.00 0.00 C ATOM 1338 O GLU A 92 65.339 0.224 3.274 1.00 0.00 O ATOM 1339 CB GLU A 92 65.422 -2.065 5.534 1.00 0.00 C ATOM 1340 CG GLU A 92 65.923 -3.415 6.053 1.00 0.00 C ATOM 1341 CD GLU A 92 65.875 -3.427 7.582 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.651 -2.374 8.156 1.00 0.00 O ATOM 1343 OE2 GLU A 92 66.066 -4.488 8.152 1.00 0.00 O ATOM 0 H GLU A 92 67.383 -1.140 3.707 1.00 0.00 H new ATOM 0 HA GLU A 92 64.992 -2.950 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 92 66.036 -1.259 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.402 -1.888 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 92 65.307 -4.221 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 92 66.942 -3.592 5.710 1.00 0.00 H new ATOM 1350 N TRP A 93 63.453 -0.900 3.286 1.00 0.00 N ATOM 1351 CA TRP A 93 62.685 0.287 2.799 1.00 0.00 C ATOM 1352 C TRP A 93 62.619 1.335 3.918 1.00 0.00 C ATOM 1353 O TRP A 93 62.441 1.006 5.076 1.00 0.00 O ATOM 1354 CB TRP A 93 61.259 -0.136 2.415 1.00 0.00 C ATOM 1355 CG TRP A 93 61.250 -0.792 1.067 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.091 -2.117 0.844 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.387 -0.171 -0.242 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.118 -2.346 -0.522 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.299 -1.176 -1.234 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.575 1.155 -0.657 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.394 -0.870 -2.595 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.674 1.467 -2.022 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.583 0.458 -2.989 1.00 0.00 C ATOM 0 H TRP A 93 62.898 -1.741 3.442 1.00 0.00 H new ATOM 0 HA TRP A 93 63.182 0.707 1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.864 -0.823 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.605 0.736 2.406 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.964 -2.872 1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.017 -3.266 -0.950 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.644 1.942 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.322 -1.653 -3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 61.821 2.492 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.659 0.705 -4.038 1.00 0.00 H new ATOM 1374 N VAL A 94 62.758 2.596 3.579 1.00 0.00 N ATOM 1375 CA VAL A 94 62.700 3.685 4.612 1.00 0.00 C ATOM 1376 C VAL A 94 61.445 4.529 4.390 1.00 0.00 C ATOM 1377 O VAL A 94 61.259 5.121 3.338 1.00 0.00 O ATOM 1378 CB VAL A 94 63.934 4.582 4.484 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.896 5.667 5.564 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.195 3.736 4.662 1.00 0.00 C ATOM 0 H VAL A 94 62.910 2.921 2.624 1.00 0.00 H new ATOM 0 HA VAL A 94 62.674 3.237 5.605 1.00 0.00 H new ATOM 0 HB VAL A 94 63.941 5.050 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.775 6.304 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.996 6.270 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.889 5.200 6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 94 66.076 4.372 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.184 3.270 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.226 2.963 3.895 1.00 0.00 H new ATOM 1390 N GLY A 95 60.590 4.595 5.380 1.00 0.00 N ATOM 1391 CA GLY A 95 59.337 5.398 5.257 1.00 0.00 C ATOM 1392 C GLY A 95 58.215 4.700 6.027 1.00 0.00 C ATOM 1393 O GLY A 95 58.333 4.424 7.203 1.00 0.00 O ATOM 0 H GLY A 95 60.709 4.122 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.494 6.402 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.062 5.506 4.208 1.00 0.00 H new