USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot 149:sc= 0.604 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.588 K(o=1.2,f=-1) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.037 K(o=0.037,f=-1.5!) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 152:sc= -0.034 (180deg=-0.697) USER MOD Set 3.2: A 27 THR OG1 : rot 102:sc= 1.06 USER MOD Set 4.1: A 9 THR OG1 : rot -110:sc= 1.32 USER MOD Set 4.2: A 49 SER OG : rot 45:sc= 0.214 USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.332 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.872 K(o=0.87,f=-0.53) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 152:sc= 0.895 USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.231 F(o=-1.1,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.78! C(o=-1.8!,f=-3.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 42:sc= 0.0996 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 176:sc= -1.13 (180deg=-1.21) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0096 USER MOD Single : A 63 THR OG1 : rot 171:sc= 1.93 USER MOD Single : A 64 GLN : amide:sc= -0.0136 K(o=-0.014,f=-0.81) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 94 GLN : amide:sc= 0.404 K(o=0.4,f=-0.16) USER MOD Single : A 99 GLN : amide:sc= 0.0569 X(o=0.057,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 0.309 18.020 1.753 1.00 35.40 N ATOM 83 CA THR A 8 0.638 16.773 1.085 1.00 43.42 C ATOM 84 C THR A 8 0.501 15.577 2.032 1.00 21.42 C ATOM 85 O THR A 8 0.349 15.734 3.245 1.00 13.04 O ATOM 86 CB THR A 8 2.007 16.909 0.380 1.00 35.11 C ATOM 87 OG1 THR A 8 2.952 17.642 1.144 1.00 73.43 O ATOM 88 CG2 THR A 8 1.848 17.668 -0.944 1.00 0.32 C ATOM 0 HA THR A 8 -0.084 16.563 0.296 1.00 43.42 H new ATOM 0 HB THR A 8 2.364 15.889 0.235 1.00 35.11 H new ATOM 0 HG1 THR A 8 2.482 18.196 1.801 1.00 73.43 H new ATOM 0 HG21 THR A 8 2.819 17.757 -1.431 1.00 0.32 H new ATOM 0 HG22 THR A 8 1.164 17.124 -1.595 1.00 0.32 H new ATOM 0 HG23 THR A 8 1.448 18.663 -0.747 1.00 0.32 H new ATOM 96 N THR A 9 0.519 14.381 1.457 1.00 62.13 N ATOM 97 CA THR A 9 0.363 13.094 2.106 1.00 54.02 C ATOM 98 C THR A 9 1.535 12.212 1.734 1.00 3.22 C ATOM 99 O THR A 9 2.139 12.399 0.668 1.00 33.41 O ATOM 100 CB THR A 9 -0.920 12.405 1.615 1.00 20.30 C ATOM 101 OG1 THR A 9 -1.184 12.677 0.245 1.00 1.12 O ATOM 102 CG2 THR A 9 -2.094 12.789 2.490 1.00 61.24 C ATOM 0 H THR A 9 0.653 14.283 0.451 1.00 62.13 H new ATOM 0 HA THR A 9 0.313 13.247 3.184 1.00 54.02 H new ATOM 0 HB THR A 9 -0.768 11.329 1.695 1.00 20.30 H new ATOM 0 HG1 THR A 9 -1.966 13.263 0.173 1.00 1.12 H new ATOM 0 HG21 THR A 9 -2.995 12.293 2.129 1.00 61.24 H new ATOM 0 HG22 THR A 9 -1.898 12.482 3.517 1.00 61.24 H new ATOM 0 HG23 THR A 9 -2.236 13.869 2.455 1.00 61.24 H new ATOM 110 N THR A 10 1.766 11.181 2.542 1.00 15.03 N ATOM 111 CA THR A 10 2.825 10.229 2.323 1.00 15.42 C ATOM 112 C THR A 10 2.280 8.814 2.482 1.00 35.13 C ATOM 113 O THR A 10 1.434 8.543 3.343 1.00 13.32 O ATOM 114 CB THR A 10 3.959 10.478 3.328 1.00 11.21 C ATOM 115 OG1 THR A 10 4.155 11.847 3.628 1.00 72.55 O ATOM 116 CG2 THR A 10 5.300 9.924 2.837 1.00 75.13 C ATOM 0 H THR A 10 1.210 10.990 3.375 1.00 15.03 H new ATOM 0 HA THR A 10 3.218 10.346 1.313 1.00 15.42 H new ATOM 0 HB THR A 10 3.634 9.955 4.228 1.00 11.21 H new ATOM 0 HG1 THR A 10 4.887 11.939 4.273 1.00 72.55 H new ATOM 0 HG21 THR A 10 6.071 10.124 3.581 1.00 75.13 H new ATOM 0 HG22 THR A 10 5.215 8.848 2.683 1.00 75.13 H new ATOM 0 HG23 THR A 10 5.570 10.405 1.897 1.00 75.13 H new ATOM 124 N ILE A 11 2.819 7.902 1.685 1.00 0.40 N ATOM 125 CA ILE A 11 2.543 6.481 1.749 1.00 13.10 C ATOM 126 C ILE A 11 3.726 5.832 2.477 1.00 64.24 C ATOM 127 O ILE A 11 4.826 6.394 2.560 1.00 0.01 O ATOM 128 CB ILE A 11 2.276 5.959 0.311 1.00 3.12 C ATOM 129 CG1 ILE A 11 1.004 6.646 -0.235 1.00 75.42 C ATOM 130 CG2 ILE A 11 2.094 4.430 0.253 1.00 32.30 C ATOM 131 CD1 ILE A 11 0.756 6.489 -1.732 1.00 71.12 C ATOM 0 H ILE A 11 3.484 8.144 0.951 1.00 0.40 H new ATOM 0 HA ILE A 11 1.644 6.229 2.312 1.00 13.10 H new ATOM 0 HB ILE A 11 3.149 6.199 -0.296 1.00 3.12 H new ATOM 0 HG12 ILE A 11 0.141 6.250 0.301 1.00 75.42 H new ATOM 0 HG13 ILE A 11 1.061 7.710 -0.005 1.00 75.42 H new ATOM 0 HG21 ILE A 11 1.910 4.124 -0.777 1.00 32.30 H new ATOM 0 HG22 ILE A 11 2.996 3.942 0.621 1.00 32.30 H new ATOM 0 HG23 ILE A 11 1.246 4.141 0.874 1.00 32.30 H new ATOM 0 HD11 ILE A 11 -0.162 7.010 -2.005 1.00 71.12 H new ATOM 0 HD12 ILE A 11 1.593 6.914 -2.286 1.00 71.12 H new ATOM 0 HD13 ILE A 11 0.659 5.431 -1.976 1.00 71.12 H new ATOM 142 N ARG A 12 3.525 4.635 3.024 1.00 24.21 N ATOM 143 CA ARG A 12 4.622 3.750 3.393 1.00 52.05 C ATOM 144 C ARG A 12 4.135 2.335 3.154 1.00 22.23 C ATOM 145 O ARG A 12 3.183 1.899 3.804 1.00 55.43 O ATOM 146 CB ARG A 12 5.116 3.962 4.835 1.00 12.10 C ATOM 147 CG ARG A 12 6.508 3.332 5.067 1.00 63.51 C ATOM 148 CD ARG A 12 6.541 2.409 6.282 1.00 63.31 C ATOM 149 NE ARG A 12 6.424 3.127 7.563 1.00 52.12 N ATOM 150 CZ ARG A 12 6.165 2.533 8.736 1.00 2.43 C ATOM 151 NH1 ARG A 12 6.193 1.216 8.853 1.00 64.25 N ATOM 152 NH2 ARG A 12 5.832 3.260 9.793 1.00 74.53 N ATOM 0 H ARG A 12 2.600 4.254 3.222 1.00 24.21 H new ATOM 0 HA ARG A 12 5.497 3.969 2.782 1.00 52.05 H new ATOM 0 HB2 ARG A 12 5.161 5.030 5.050 1.00 12.10 H new ATOM 0 HB3 ARG A 12 4.400 3.526 5.532 1.00 12.10 H new ATOM 0 HG2 ARG A 12 6.800 2.769 4.180 1.00 63.51 H new ATOM 0 HG3 ARG A 12 7.244 4.125 5.198 1.00 63.51 H new ATOM 0 HD2 ARG A 12 5.729 1.687 6.203 1.00 63.31 H new ATOM 0 HD3 ARG A 12 7.473 1.843 6.274 1.00 63.31 H new ATOM 0 HE ARG A 12 6.548 4.139 7.557 1.00 52.12 H new ATOM 0 HH11 ARG A 12 6.414 0.637 8.043 1.00 64.25 H new ATOM 0 HH12 ARG A 12 5.993 0.780 9.753 1.00 64.25 H new ATOM 0 HH21 ARG A 12 5.772 4.275 9.715 1.00 74.53 H new ATOM 0 HH22 ARG A 12 5.636 2.804 10.684 1.00 74.53 H new ATOM 163 N LEU A 13 4.740 1.649 2.198 1.00 12.42 N ATOM 164 CA LEU A 13 4.571 0.210 2.047 1.00 15.01 C ATOM 165 C LEU A 13 5.506 -0.470 3.038 1.00 41.42 C ATOM 166 O LEU A 13 6.650 -0.047 3.198 1.00 2.22 O ATOM 167 CB LEU A 13 4.910 -0.217 0.606 1.00 52.12 C ATOM 168 CG LEU A 13 3.738 -0.239 -0.387 1.00 61.45 C ATOM 169 CD1 LEU A 13 2.827 -1.437 -0.126 1.00 53.05 C ATOM 170 CD2 LEU A 13 2.921 1.053 -0.366 1.00 52.25 C ATOM 0 H LEU A 13 5.360 2.070 1.506 1.00 12.42 H new ATOM 0 HA LEU A 13 3.538 -0.077 2.244 1.00 15.01 H new ATOM 0 HB2 LEU A 13 5.674 0.457 0.219 1.00 52.12 H new ATOM 0 HB3 LEU A 13 5.351 -1.213 0.638 1.00 52.12 H new ATOM 0 HG LEU A 13 4.178 -0.329 -1.380 1.00 61.45 H new ATOM 0 HD11 LEU A 13 2.005 -1.431 -0.841 1.00 53.05 H new ATOM 0 HD12 LEU A 13 3.398 -2.359 -0.237 1.00 53.05 H new ATOM 0 HD13 LEU A 13 2.428 -1.377 0.886 1.00 53.05 H new ATOM 0 HD21 LEU A 13 2.107 0.980 -1.087 1.00 52.25 H new ATOM 0 HD22 LEU A 13 2.510 1.207 0.632 1.00 52.25 H new ATOM 0 HD23 LEU A 13 3.563 1.894 -0.627 1.00 52.25 H new ATOM 181 N ILE A 14 5.042 -1.539 3.677 1.00 35.13 N ATOM 182 CA ILE A 14 5.833 -2.458 4.476 1.00 4.41 C ATOM 183 C ILE A 14 5.621 -3.848 3.861 1.00 75.42 C ATOM 184 O ILE A 14 4.516 -4.168 3.407 1.00 14.30 O ATOM 185 CB ILE A 14 5.396 -2.375 5.962 1.00 0.41 C ATOM 186 CG1 ILE A 14 5.338 -0.937 6.517 1.00 41.03 C ATOM 187 CG2 ILE A 14 6.364 -3.144 6.873 1.00 23.14 C ATOM 188 CD1 ILE A 14 4.005 -0.201 6.317 1.00 54.14 C ATOM 0 H ILE A 14 4.056 -1.797 3.648 1.00 35.13 H new ATOM 0 HA ILE A 14 6.896 -2.216 4.468 1.00 4.41 H new ATOM 0 HB ILE A 14 4.395 -2.807 5.968 1.00 0.41 H new ATOM 0 HG12 ILE A 14 5.558 -0.970 7.584 1.00 41.03 H new ATOM 0 HG13 ILE A 14 6.129 -0.353 6.046 1.00 41.03 H new ATOM 0 HG21 ILE A 14 6.030 -3.066 7.907 1.00 23.14 H new ATOM 0 HG22 ILE A 14 6.387 -4.193 6.577 1.00 23.14 H new ATOM 0 HG23 ILE A 14 7.364 -2.720 6.782 1.00 23.14 H new ATOM 0 HD11 ILE A 14 4.074 0.800 6.744 1.00 54.14 H new ATOM 0 HD12 ILE A 14 3.787 -0.127 5.252 1.00 54.14 H new ATOM 0 HD13 ILE A 14 3.207 -0.753 6.813 1.00 54.14 H new ATOM 199 N ASN A 15 6.643 -4.701 3.881 1.00 61.52 N ATOM 200 CA ASN A 15 6.654 -6.035 3.292 1.00 14.54 C ATOM 201 C ASN A 15 6.887 -7.093 4.375 1.00 23.31 C ATOM 202 O ASN A 15 7.833 -7.871 4.272 1.00 52.31 O ATOM 203 CB ASN A 15 7.725 -6.087 2.183 1.00 14.22 C ATOM 204 CG ASN A 15 7.379 -7.148 1.144 1.00 55.51 C ATOM 205 OD1 ASN A 15 6.320 -7.101 0.525 1.00 1.52 O ATOM 206 ND2 ASN A 15 8.261 -8.104 0.922 1.00 2.12 N ATOM 0 H ASN A 15 7.528 -4.468 4.331 1.00 61.52 H new ATOM 0 HA ASN A 15 5.687 -6.255 2.840 1.00 14.54 H new ATOM 0 HB2 ASN A 15 7.804 -5.112 1.701 1.00 14.22 H new ATOM 0 HB3 ASN A 15 8.699 -6.305 2.622 1.00 14.22 H new ATOM 0 HD21 ASN A 15 8.069 -8.823 0.224 1.00 2.12 H new ATOM 0 HD22 ASN A 15 9.135 -8.124 1.448 1.00 2.12 H new ATOM 212 N GLN A 16 6.078 -7.099 5.447 1.00 14.34 N ATOM 213 CA GLN A 16 6.129 -8.018 6.595 1.00 12.43 C ATOM 214 C GLN A 16 5.674 -9.425 6.183 1.00 60.02 C ATOM 215 O GLN A 16 4.682 -9.969 6.672 1.00 43.33 O ATOM 216 CB GLN A 16 5.319 -7.483 7.796 1.00 22.23 C ATOM 217 CG GLN A 16 5.683 -6.043 8.175 1.00 14.22 C ATOM 218 CD GLN A 16 5.256 -5.619 9.568 1.00 50.13 C ATOM 219 OE1 GLN A 16 6.054 -5.101 10.344 1.00 34.52 O ATOM 220 NE2 GLN A 16 3.982 -5.737 9.885 1.00 2.02 N ATOM 0 H GLN A 16 5.323 -6.419 5.541 1.00 14.34 H new ATOM 0 HA GLN A 16 7.166 -8.084 6.923 1.00 12.43 H new ATOM 0 HB2 GLN A 16 4.256 -7.532 7.560 1.00 22.23 H new ATOM 0 HB3 GLN A 16 5.485 -8.132 8.656 1.00 22.23 H new ATOM 0 HG2 GLN A 16 6.763 -5.923 8.090 1.00 14.22 H new ATOM 0 HG3 GLN A 16 5.229 -5.367 7.451 1.00 14.22 H new ATOM 0 HE21 GLN A 16 3.331 -6.170 9.229 1.00 2.02 H new ATOM 0 HE22 GLN A 16 3.647 -5.396 10.786 1.00 2.02 H new ATOM 227 N THR A 17 6.428 -9.995 5.258 1.00 4.12 N ATOM 228 CA THR A 17 6.244 -11.274 4.619 1.00 4.50 C ATOM 229 C THR A 17 7.606 -11.931 4.425 1.00 61.33 C ATOM 230 O THR A 17 8.642 -11.260 4.382 1.00 72.13 O ATOM 231 CB THR A 17 5.577 -11.070 3.252 1.00 14.44 C ATOM 232 OG1 THR A 17 6.106 -9.957 2.546 1.00 75.11 O ATOM 233 CG2 THR A 17 4.079 -10.852 3.400 1.00 13.13 C ATOM 0 H THR A 17 7.262 -9.524 4.907 1.00 4.12 H new ATOM 0 HA THR A 17 5.612 -11.910 5.239 1.00 4.50 H new ATOM 0 HB THR A 17 5.781 -11.981 2.689 1.00 14.44 H new ATOM 0 HG1 THR A 17 6.017 -10.109 1.582 1.00 75.11 H new ATOM 0 HG21 THR A 17 3.633 -10.710 2.416 1.00 13.13 H new ATOM 0 HG22 THR A 17 3.630 -11.722 3.880 1.00 13.13 H new ATOM 0 HG23 THR A 17 3.899 -9.967 4.011 1.00 13.13 H new ATOM 241 N TYR A 18 7.575 -13.243 4.217 1.00 3.41 N ATOM 242 CA TYR A 18 8.768 -14.060 4.024 1.00 74.20 C ATOM 243 C TYR A 18 9.423 -13.862 2.650 1.00 41.10 C ATOM 244 O TYR A 18 10.608 -14.169 2.488 1.00 73.04 O ATOM 245 CB TYR A 18 8.427 -15.540 4.265 1.00 2.52 C ATOM 246 CG TYR A 18 7.168 -16.086 3.610 1.00 64.33 C ATOM 247 CD1 TYR A 18 7.156 -16.426 2.245 1.00 32.02 C ATOM 248 CD2 TYR A 18 5.991 -16.240 4.368 1.00 1.13 C ATOM 249 CE1 TYR A 18 5.990 -16.943 1.651 1.00 23.33 C ATOM 250 CE2 TYR A 18 4.823 -16.771 3.786 1.00 23.04 C ATOM 251 CZ TYR A 18 4.812 -17.122 2.414 1.00 13.52 C ATOM 252 OH TYR A 18 3.671 -17.505 1.776 1.00 34.03 O ATOM 0 H TYR A 18 6.707 -13.777 4.177 1.00 3.41 H new ATOM 0 HA TYR A 18 9.507 -13.730 4.755 1.00 74.20 H new ATOM 0 HB2 TYR A 18 9.271 -16.140 3.924 1.00 2.52 H new ATOM 0 HB3 TYR A 18 8.341 -15.694 5.341 1.00 2.52 H new ATOM 0 HD1 TYR A 18 8.047 -16.289 1.650 1.00 32.02 H new ATOM 0 HD2 TYR A 18 5.984 -15.948 5.408 1.00 1.13 H new ATOM 0 HE1 TYR A 18 5.994 -17.206 0.603 1.00 23.33 H new ATOM 0 HE2 TYR A 18 3.936 -16.910 4.386 1.00 23.04 H new ATOM 0 HH TYR A 18 3.901 -18.047 0.993 1.00 34.03 H new ATOM 261 N PHE A 19 8.689 -13.383 1.639 1.00 42.20 N ATOM 262 CA PHE A 19 9.223 -13.253 0.285 1.00 60.23 C ATOM 263 C PHE A 19 9.746 -11.837 0.021 1.00 60.03 C ATOM 264 O PHE A 19 9.438 -10.886 0.736 1.00 12.42 O ATOM 265 CB PHE A 19 8.183 -13.708 -0.763 1.00 35.25 C ATOM 266 CG PHE A 19 6.825 -13.070 -0.639 1.00 71.31 C ATOM 267 CD1 PHE A 19 6.720 -11.683 -0.775 1.00 14.14 C ATOM 268 CD2 PHE A 19 5.692 -13.829 -0.307 1.00 75.33 C ATOM 269 CE1 PHE A 19 5.532 -11.032 -0.418 1.00 52.51 C ATOM 270 CE2 PHE A 19 4.496 -13.176 0.015 1.00 34.13 C ATOM 271 CZ PHE A 19 4.418 -11.778 -0.027 1.00 13.32 C ATOM 0 H PHE A 19 7.720 -13.079 1.737 1.00 42.20 H new ATOM 0 HA PHE A 19 10.081 -13.918 0.191 1.00 60.23 H new ATOM 0 HB2 PHE A 19 8.577 -13.496 -1.757 1.00 35.25 H new ATOM 0 HB3 PHE A 19 8.067 -14.789 -0.690 1.00 35.25 H new ATOM 0 HD1 PHE A 19 7.555 -11.113 -1.155 1.00 14.14 H new ATOM 0 HD2 PHE A 19 5.742 -14.908 -0.300 1.00 75.33 H new ATOM 0 HE1 PHE A 19 5.478 -9.954 -0.445 1.00 52.51 H new ATOM 0 HE2 PHE A 19 3.628 -13.754 0.297 1.00 34.13 H new ATOM 0 HZ PHE A 19 3.499 -11.279 0.242 1.00 13.32 H new ATOM 280 N ASN A 20 10.451 -11.696 -1.101 1.00 33.25 N ATOM 281 CA ASN A 20 10.793 -10.426 -1.747 1.00 64.00 C ATOM 282 C ASN A 20 9.698 -10.133 -2.776 1.00 73.12 C ATOM 283 O ASN A 20 9.148 -11.070 -3.365 1.00 73.33 O ATOM 284 CB ASN A 20 12.176 -10.601 -2.400 1.00 1.51 C ATOM 285 CG ASN A 20 12.602 -9.563 -3.436 1.00 43.12 C ATOM 286 OD1 ASN A 20 13.498 -8.766 -3.194 1.00 15.52 O ATOM 287 ND2 ASN A 20 12.103 -9.656 -4.660 1.00 11.54 N ATOM 0 H ASN A 20 10.817 -12.501 -1.609 1.00 33.25 H new ATOM 0 HA ASN A 20 10.846 -9.589 -1.051 1.00 64.00 H new ATOM 0 HB2 ASN A 20 12.924 -10.611 -1.607 1.00 1.51 H new ATOM 0 HB3 ASN A 20 12.202 -11.581 -2.876 1.00 1.51 H new ATOM 0 HD21 ASN A 20 12.466 -9.062 -5.405 1.00 11.54 H new ATOM 0 HD22 ASN A 20 11.356 -10.322 -4.857 1.00 11.54 H new ATOM 293 N VAL A 21 9.363 -8.867 -3.026 1.00 14.53 N ATOM 294 CA VAL A 21 8.412 -8.486 -4.083 1.00 61.01 C ATOM 295 C VAL A 21 9.038 -7.461 -5.017 1.00 72.12 C ATOM 296 O VAL A 21 9.920 -6.725 -4.599 1.00 12.41 O ATOM 297 CB VAL A 21 7.099 -7.950 -3.499 1.00 73.01 C ATOM 298 CG1 VAL A 21 6.427 -8.962 -2.591 1.00 21.13 C ATOM 299 CG2 VAL A 21 7.268 -6.666 -2.690 1.00 14.11 C ATOM 0 H VAL A 21 9.740 -8.075 -2.506 1.00 14.53 H new ATOM 0 HA VAL A 21 8.175 -9.384 -4.653 1.00 61.01 H new ATOM 0 HB VAL A 21 6.485 -7.744 -4.376 1.00 73.01 H new ATOM 0 HG11 VAL A 21 5.501 -8.541 -2.199 1.00 21.13 H new ATOM 0 HG12 VAL A 21 6.204 -9.867 -3.157 1.00 21.13 H new ATOM 0 HG13 VAL A 21 7.093 -9.207 -1.763 1.00 21.13 H new ATOM 0 HG21 VAL A 21 6.298 -6.346 -2.308 1.00 14.11 H new ATOM 0 HG22 VAL A 21 7.944 -6.848 -1.855 1.00 14.11 H new ATOM 0 HG23 VAL A 21 7.682 -5.886 -3.328 1.00 14.11 H new ATOM 309 N LYS A 22 8.579 -7.380 -6.268 1.00 12.32 N ATOM 310 CA LYS A 22 9.335 -6.706 -7.326 1.00 35.24 C ATOM 311 C LYS A 22 8.476 -5.859 -8.234 1.00 61.34 C ATOM 312 O LYS A 22 8.787 -5.721 -9.414 1.00 61.24 O ATOM 313 CB LYS A 22 10.187 -7.741 -8.082 1.00 22.25 C ATOM 314 CG LYS A 22 9.428 -8.904 -8.758 1.00 24.11 C ATOM 315 CD LYS A 22 9.409 -10.169 -7.881 1.00 75.24 C ATOM 316 CE LYS A 22 8.484 -11.276 -8.403 1.00 72.00 C ATOM 317 NZ LYS A 22 9.044 -12.046 -9.531 1.00 53.13 N ATOM 0 H LYS A 22 7.688 -7.772 -6.573 1.00 12.32 H new ATOM 0 HA LYS A 22 10.006 -5.985 -6.859 1.00 35.24 H new ATOM 0 HB2 LYS A 22 10.758 -7.217 -8.848 1.00 22.25 H new ATOM 0 HB3 LYS A 22 10.907 -8.166 -7.382 1.00 22.25 H new ATOM 0 HG2 LYS A 22 8.405 -8.594 -8.969 1.00 24.11 H new ATOM 0 HG3 LYS A 22 9.896 -9.134 -9.715 1.00 24.11 H new ATOM 0 HD2 LYS A 22 10.423 -10.562 -7.806 1.00 75.24 H new ATOM 0 HD3 LYS A 22 9.098 -9.895 -6.873 1.00 75.24 H new ATOM 0 HE2 LYS A 22 8.258 -11.961 -7.586 1.00 72.00 H new ATOM 0 HE3 LYS A 22 7.540 -10.829 -8.715 1.00 72.00 H new ATOM 0 HZ1 LYS A 22 8.362 -12.773 -9.827 1.00 53.13 H new ATOM 0 HZ2 LYS A 22 9.235 -11.405 -10.328 1.00 53.13 H new ATOM 0 HZ3 LYS A 22 9.930 -12.502 -9.234 1.00 53.13 H new ATOM 327 N ASN A 23 7.367 -5.335 -7.716 1.00 64.41 N ATOM 328 CA ASN A 23 6.321 -4.756 -8.561 1.00 74.11 C ATOM 329 C ASN A 23 5.137 -4.320 -7.713 1.00 71.24 C ATOM 330 O ASN A 23 4.043 -4.871 -7.835 1.00 44.40 O ATOM 331 CB ASN A 23 5.856 -5.721 -9.690 1.00 71.22 C ATOM 332 CG ASN A 23 5.637 -7.206 -9.372 1.00 60.24 C ATOM 333 OD1 ASN A 23 5.625 -7.649 -8.121 1.00 20.44 O flip ATOM 334 ND2 ASN A 23 5.478 -8.001 -10.291 1.00 53.54 N flip ATOM 0 H ASN A 23 7.168 -5.299 -6.716 1.00 64.41 H new ATOM 0 HA ASN A 23 6.755 -3.884 -9.051 1.00 74.11 H new ATOM 0 HB2 ASN A 23 4.919 -5.331 -10.088 1.00 71.22 H new ATOM 0 HB3 ASN A 23 6.592 -5.664 -10.492 1.00 71.22 H new ATOM 0 HD21 ASN A 23 5.485 -7.672 -11.257 1.00 53.54 H new ATOM 0 HD22 ASN A 23 5.338 -8.991 -10.090 1.00 53.54 H new ATOM 340 N ILE A 24 5.326 -3.397 -6.768 1.00 0.45 N ATOM 341 CA ILE A 24 4.187 -2.979 -5.935 1.00 75.31 C ATOM 342 C ILE A 24 3.496 -1.785 -6.596 1.00 11.45 C ATOM 343 O ILE A 24 3.909 -0.647 -6.358 1.00 23.42 O ATOM 344 CB ILE A 24 4.589 -2.691 -4.472 1.00 43.32 C ATOM 345 CG1 ILE A 24 5.672 -3.664 -3.971 1.00 63.41 C ATOM 346 CG2 ILE A 24 3.322 -2.758 -3.602 1.00 64.43 C ATOM 347 CD1 ILE A 24 6.051 -3.460 -2.515 1.00 62.32 C ATOM 0 H ILE A 24 6.214 -2.939 -6.562 1.00 0.45 H new ATOM 0 HA ILE A 24 3.481 -3.807 -5.873 1.00 75.31 H new ATOM 0 HB ILE A 24 5.028 -1.696 -4.407 1.00 43.32 H new ATOM 0 HG12 ILE A 24 5.319 -4.687 -4.105 1.00 63.41 H new ATOM 0 HG13 ILE A 24 6.563 -3.551 -4.588 1.00 63.41 H new ATOM 0 HG21 ILE A 24 3.583 -2.557 -2.563 1.00 64.43 H new ATOM 0 HG22 ILE A 24 2.604 -2.013 -3.946 1.00 64.43 H new ATOM 0 HG23 ILE A 24 2.879 -3.751 -3.680 1.00 64.43 H new ATOM 0 HD11 ILE A 24 6.819 -4.181 -2.234 1.00 62.32 H new ATOM 0 HD12 ILE A 24 6.435 -2.449 -2.377 1.00 62.32 H new ATOM 0 HD13 ILE A 24 5.172 -3.603 -1.887 1.00 62.32 H new ATOM 358 N LYS A 25 2.460 -2.018 -7.413 1.00 1.55 N ATOM 359 CA LYS A 25 1.598 -0.931 -7.870 1.00 35.44 C ATOM 360 C LYS A 25 0.707 -0.515 -6.698 1.00 0.23 C ATOM 361 O LYS A 25 -0.052 -1.367 -6.238 1.00 20.33 O ATOM 362 CB LYS A 25 0.738 -1.359 -9.083 1.00 43.32 C ATOM 363 CG LYS A 25 1.177 -0.733 -10.422 1.00 3.23 C ATOM 364 CD LYS A 25 0.010 -0.148 -11.226 1.00 44.43 C ATOM 365 CE LYS A 25 -0.527 1.093 -10.502 1.00 4.33 C ATOM 366 NZ LYS A 25 -2.004 1.072 -10.338 1.00 2.11 N ATOM 0 H LYS A 25 2.204 -2.940 -7.765 1.00 1.55 H new ATOM 0 HA LYS A 25 2.211 -0.093 -8.200 1.00 35.44 H new ATOM 0 HB2 LYS A 25 0.773 -2.445 -9.174 1.00 43.32 H new ATOM 0 HB3 LYS A 25 -0.300 -1.088 -8.891 1.00 43.32 H new ATOM 0 HG2 LYS A 25 1.906 0.054 -10.226 1.00 3.23 H new ATOM 0 HG3 LYS A 25 1.680 -1.491 -11.023 1.00 3.23 H new ATOM 0 HD2 LYS A 25 0.341 0.116 -12.230 1.00 44.43 H new ATOM 0 HD3 LYS A 25 -0.780 -0.891 -11.336 1.00 44.43 H new ATOM 0 HE2 LYS A 25 -0.058 1.166 -9.521 1.00 4.33 H new ATOM 0 HE3 LYS A 25 -0.241 1.985 -11.059 1.00 4.33 H new ATOM 0 HZ1 LYS A 25 -2.267 1.617 -9.492 1.00 2.11 H new ATOM 0 HZ2 LYS A 25 -2.452 1.494 -11.176 1.00 2.11 H new ATOM 0 HZ3 LYS A 25 -2.327 0.089 -10.231 1.00 2.11 H new ATOM 376 N VAL A 26 0.741 0.734 -6.214 1.00 73.45 N ATOM 377 CA VAL A 26 -0.204 1.185 -5.184 1.00 0.14 C ATOM 378 C VAL A 26 -1.093 2.252 -5.826 1.00 2.41 C ATOM 379 O VAL A 26 -0.646 2.916 -6.758 1.00 31.24 O ATOM 380 CB VAL A 26 0.549 1.626 -3.911 1.00 35.54 C ATOM 381 CG1 VAL A 26 1.298 2.946 -4.071 1.00 64.55 C ATOM 382 CG2 VAL A 26 -0.373 1.743 -2.697 1.00 62.21 C ATOM 0 H VAL A 26 1.407 1.445 -6.516 1.00 73.45 H new ATOM 0 HA VAL A 26 -0.856 0.385 -4.833 1.00 0.14 H new ATOM 0 HB VAL A 26 1.276 0.831 -3.747 1.00 35.54 H new ATOM 0 HG11 VAL A 26 1.803 3.193 -3.137 1.00 64.55 H new ATOM 0 HG12 VAL A 26 2.035 2.852 -4.869 1.00 64.55 H new ATOM 0 HG13 VAL A 26 0.591 3.737 -4.321 1.00 64.55 H new ATOM 0 HG21 VAL A 26 0.207 2.056 -1.829 1.00 62.21 H new ATOM 0 HG22 VAL A 26 -1.150 2.480 -2.900 1.00 62.21 H new ATOM 0 HG23 VAL A 26 -0.834 0.776 -2.496 1.00 62.21 H new ATOM 392 N THR A 27 -2.321 2.444 -5.344 1.00 45.52 N ATOM 393 CA THR A 27 -3.256 3.449 -5.871 1.00 24.32 C ATOM 394 C THR A 27 -3.989 4.064 -4.677 1.00 11.42 C ATOM 395 O THR A 27 -4.237 3.326 -3.727 1.00 23.24 O ATOM 396 CB THR A 27 -4.240 2.756 -6.829 1.00 2.21 C ATOM 397 OG1 THR A 27 -3.573 1.866 -7.717 1.00 63.35 O ATOM 398 CG2 THR A 27 -5.089 3.744 -7.616 1.00 63.05 C ATOM 0 H THR A 27 -2.702 1.902 -4.568 1.00 45.52 H new ATOM 0 HA THR A 27 -2.739 4.233 -6.424 1.00 24.32 H new ATOM 0 HB THR A 27 -4.912 2.177 -6.196 1.00 2.21 H new ATOM 0 HG1 THR A 27 -3.688 0.944 -7.404 1.00 63.35 H new ATOM 0 HG21 THR A 27 -5.764 3.199 -8.275 1.00 63.05 H new ATOM 0 HG22 THR A 27 -5.670 4.355 -6.925 1.00 63.05 H new ATOM 0 HG23 THR A 27 -4.441 4.387 -8.212 1.00 63.05 H new ATOM 406 N TRP A 28 -4.312 5.363 -4.682 1.00 64.44 N ATOM 407 CA TRP A 28 -4.941 6.063 -3.544 1.00 51.31 C ATOM 408 C TRP A 28 -5.949 7.133 -3.976 1.00 50.25 C ATOM 409 O TRP A 28 -6.420 7.957 -3.197 1.00 25.32 O ATOM 410 CB TRP A 28 -3.836 6.667 -2.676 1.00 70.14 C ATOM 411 CG TRP A 28 -2.999 7.723 -3.315 1.00 53.42 C ATOM 412 CD1 TRP A 28 -3.234 9.055 -3.290 1.00 65.43 C ATOM 413 CD2 TRP A 28 -1.779 7.549 -4.079 1.00 4.43 C ATOM 414 NE1 TRP A 28 -2.197 9.724 -3.904 1.00 55.01 N ATOM 415 CE2 TRP A 28 -1.276 8.840 -4.413 1.00 44.02 C ATOM 416 CE3 TRP A 28 -1.045 6.422 -4.503 1.00 44.05 C ATOM 417 CZ2 TRP A 28 -0.076 9.011 -5.106 1.00 13.13 C ATOM 418 CZ3 TRP A 28 0.171 6.585 -5.191 1.00 14.30 C ATOM 419 CH2 TRP A 28 0.652 7.882 -5.473 1.00 41.03 C ATOM 0 H TRP A 28 -4.144 5.970 -5.485 1.00 64.44 H new ATOM 0 HA TRP A 28 -5.518 5.335 -2.974 1.00 51.31 H new ATOM 0 HB2 TRP A 28 -4.295 7.088 -1.782 1.00 70.14 H new ATOM 0 HB3 TRP A 28 -3.179 5.861 -2.348 1.00 70.14 H new ATOM 0 HD1 TRP A 28 -4.104 9.524 -2.854 1.00 65.43 H new ATOM 0 HE1 TRP A 28 -2.123 10.739 -3.972 1.00 55.01 H new ATOM 0 HE3 TRP A 28 -1.418 5.429 -4.299 1.00 44.05 H new ATOM 0 HZ2 TRP A 28 0.281 10.000 -5.353 1.00 13.13 H new ATOM 0 HZ3 TRP A 28 0.736 5.719 -5.503 1.00 14.30 H new ATOM 0 HH2 TRP A 28 1.598 8.000 -5.981 1.00 41.03 H new ATOM 429 N ASN A 29 -6.275 7.138 -5.252 1.00 61.13 N ATOM 430 CA ASN A 29 -7.238 8.022 -5.883 1.00 41.22 C ATOM 431 C ASN A 29 -7.676 7.397 -7.199 1.00 61.11 C ATOM 432 O ASN A 29 -7.261 6.289 -7.535 1.00 73.35 O ATOM 433 CB ASN A 29 -6.648 9.421 -6.084 1.00 54.44 C ATOM 434 CG ASN A 29 -7.641 10.442 -5.562 1.00 13.00 C ATOM 435 OD1 ASN A 29 -8.597 10.786 -6.257 1.00 13.14 O ATOM 436 ND2 ASN A 29 -7.488 10.850 -4.314 1.00 70.12 N ATOM 0 H ASN A 29 -5.852 6.489 -5.916 1.00 61.13 H new ATOM 0 HA ASN A 29 -8.109 8.144 -5.240 1.00 41.22 H new ATOM 0 HB2 ASN A 29 -5.699 9.511 -5.556 1.00 54.44 H new ATOM 0 HB3 ASN A 29 -6.443 9.597 -7.140 1.00 54.44 H new ATOM 0 HD21 ASN A 29 -8.177 11.473 -3.893 1.00 70.12 H new ATOM 0 HD22 ASN A 29 -6.681 10.541 -3.772 1.00 70.12 H new ATOM 442 N ASP A 30 -8.544 8.075 -7.935 1.00 5.40 N ATOM 443 CA ASP A 30 -9.149 7.563 -9.159 1.00 62.15 C ATOM 444 C ASP A 30 -8.230 7.799 -10.358 1.00 51.12 C ATOM 445 O ASP A 30 -8.521 8.583 -11.261 1.00 73.51 O ATOM 446 CB ASP A 30 -10.529 8.200 -9.285 1.00 11.32 C ATOM 447 CG ASP A 30 -11.358 7.776 -10.491 1.00 72.01 C ATOM 448 OD1 ASP A 30 -11.123 6.685 -11.061 1.00 5.41 O ATOM 449 OD2 ASP A 30 -12.348 8.480 -10.792 1.00 4.40 O ATOM 0 H ASP A 30 -8.855 9.016 -7.694 1.00 5.40 H new ATOM 0 HA ASP A 30 -9.279 6.481 -9.127 1.00 62.15 H new ATOM 0 HB2 ASP A 30 -11.096 7.971 -8.382 1.00 11.32 H new ATOM 0 HB3 ASP A 30 -10.405 9.282 -9.318 1.00 11.32 H new ATOM 453 N GLY A 31 -7.083 7.124 -10.368 1.00 1.12 N ATOM 454 CA GLY A 31 -6.094 7.175 -11.442 1.00 33.02 C ATOM 455 C GLY A 31 -4.687 7.466 -10.934 1.00 32.24 C ATOM 456 O GLY A 31 -3.712 7.141 -11.613 1.00 42.12 O ATOM 0 H GLY A 31 -6.807 6.507 -9.604 1.00 1.12 H new ATOM 0 HA2 GLY A 31 -6.094 6.224 -11.975 1.00 33.02 H new ATOM 0 HA3 GLY A 31 -6.383 7.943 -12.160 1.00 33.02 H new ATOM 460 N LYS A 32 -4.539 8.069 -9.750 1.00 74.35 N ATOM 461 CA LYS A 32 -3.242 8.386 -9.204 1.00 1.20 C ATOM 462 C LYS A 32 -2.715 7.138 -8.507 1.00 1.12 C ATOM 463 O LYS A 32 -3.269 6.684 -7.499 1.00 11.22 O ATOM 464 CB LYS A 32 -3.358 9.618 -8.308 1.00 55.14 C ATOM 465 CG LYS A 32 -2.058 9.956 -7.582 1.00 60.55 C ATOM 466 CD LYS A 32 -0.855 10.411 -8.430 1.00 72.14 C ATOM 467 CE LYS A 32 -0.107 9.246 -9.069 1.00 63.55 C ATOM 468 NZ LYS A 32 1.143 9.646 -9.731 1.00 60.41 N ATOM 0 H LYS A 32 -5.320 8.345 -9.155 1.00 74.35 H new ATOM 0 HA LYS A 32 -2.516 8.654 -9.972 1.00 1.20 H new ATOM 0 HB2 LYS A 32 -3.662 10.472 -8.913 1.00 55.14 H new ATOM 0 HB3 LYS A 32 -4.145 9.452 -7.573 1.00 55.14 H new ATOM 0 HG2 LYS A 32 -2.274 10.743 -6.859 1.00 60.55 H new ATOM 0 HG3 LYS A 32 -1.754 9.076 -7.015 1.00 60.55 H new ATOM 0 HD2 LYS A 32 -1.202 11.086 -9.212 1.00 72.14 H new ATOM 0 HD3 LYS A 32 -0.167 10.977 -7.802 1.00 72.14 H new ATOM 0 HE2 LYS A 32 0.118 8.504 -8.302 1.00 63.55 H new ATOM 0 HE3 LYS A 32 -0.757 8.763 -9.799 1.00 63.55 H new ATOM 0 HZ1 LYS A 32 1.601 8.808 -10.144 1.00 60.41 H new ATOM 0 HZ2 LYS A 32 0.933 10.332 -10.484 1.00 60.41 H new ATOM 0 HZ3 LYS A 32 1.781 10.081 -9.034 1.00 60.41 H new ATOM 478 N GLU A 33 -1.648 6.586 -9.073 1.00 61.24 N ATOM 479 CA GLU A 33 -0.973 5.390 -8.616 1.00 35.54 C ATOM 480 C GLU A 33 0.545 5.572 -8.655 1.00 33.31 C ATOM 481 O GLU A 33 1.051 6.604 -9.098 1.00 53.21 O ATOM 482 CB GLU A 33 -1.450 4.190 -9.448 1.00 63.25 C ATOM 483 CG GLU A 33 -1.407 4.356 -10.973 1.00 62.24 C ATOM 484 CD GLU A 33 -0.026 4.655 -11.558 1.00 63.20 C ATOM 485 OE1 GLU A 33 0.984 4.015 -11.197 1.00 52.14 O ATOM 486 OE2 GLU A 33 0.020 5.508 -12.470 1.00 23.41 O ATOM 0 H GLU A 33 -1.213 6.985 -9.905 1.00 61.24 H new ATOM 0 HA GLU A 33 -1.228 5.196 -7.574 1.00 35.54 H new ATOM 0 HB2 GLU A 33 -0.841 3.326 -9.181 1.00 63.25 H new ATOM 0 HB3 GLU A 33 -2.475 3.959 -9.158 1.00 63.25 H new ATOM 0 HG2 GLU A 33 -1.789 3.444 -11.432 1.00 62.24 H new ATOM 0 HG3 GLU A 33 -2.085 5.162 -11.254 1.00 62.24 H new ATOM 491 N GLN A 34 1.263 4.554 -8.191 1.00 32.54 N ATOM 492 CA GLN A 34 2.708 4.412 -8.237 1.00 14.24 C ATOM 493 C GLN A 34 3.053 2.987 -8.607 1.00 34.15 C ATOM 494 O GLN A 34 2.222 2.096 -8.430 1.00 62.41 O ATOM 495 CB GLN A 34 3.282 4.668 -6.837 1.00 54.30 C ATOM 496 CG GLN A 34 3.375 6.155 -6.582 1.00 21.44 C ATOM 497 CD GLN A 34 4.502 6.815 -7.354 1.00 64.24 C ATOM 498 OE1 GLN A 34 4.284 7.708 -8.169 1.00 4.21 O ATOM 499 NE2 GLN A 34 5.716 6.375 -7.111 1.00 64.14 N ATOM 0 H GLN A 34 0.817 3.754 -7.743 1.00 32.54 H new ATOM 0 HA GLN A 34 3.115 5.116 -8.963 1.00 14.24 H new ATOM 0 HB2 GLN A 34 2.648 4.200 -6.084 1.00 54.30 H new ATOM 0 HB3 GLN A 34 4.269 4.213 -6.750 1.00 54.30 H new ATOM 0 HG2 GLN A 34 2.430 6.625 -6.854 1.00 21.44 H new ATOM 0 HG3 GLN A 34 3.521 6.328 -5.516 1.00 21.44 H new ATOM 0 HE21 GLN A 34 5.862 5.632 -6.428 1.00 64.14 H new ATOM 0 HE22 GLN A 34 6.513 6.777 -7.606 1.00 64.14 H new ATOM 506 N THR A 35 4.325 2.766 -8.926 1.00 62.13 N ATOM 507 CA THR A 35 4.988 1.503 -8.675 1.00 20.33 C ATOM 508 C THR A 35 6.366 1.787 -8.087 1.00 42.10 C ATOM 509 O THR A 35 6.933 2.874 -8.242 1.00 13.03 O ATOM 510 CB THR A 35 5.007 0.635 -9.942 1.00 41.34 C ATOM 511 OG1 THR A 35 5.651 -0.620 -9.783 1.00 23.14 O ATOM 512 CG2 THR A 35 5.553 1.378 -11.160 1.00 62.10 C ATOM 0 H THR A 35 4.922 3.465 -9.368 1.00 62.13 H new ATOM 0 HA THR A 35 4.439 0.912 -7.941 1.00 20.33 H new ATOM 0 HB THR A 35 3.955 0.415 -10.126 1.00 41.34 H new ATOM 0 HG1 THR A 35 5.621 -1.113 -10.630 1.00 23.14 H new ATOM 0 HG21 THR A 35 5.543 0.715 -12.025 1.00 62.10 H new ATOM 0 HG22 THR A 35 4.931 2.250 -11.363 1.00 62.10 H new ATOM 0 HG23 THR A 35 6.575 1.700 -10.962 1.00 62.10 H new ATOM 520 N VAL A 36 6.921 0.778 -7.436 1.00 64.11 N ATOM 521 CA VAL A 36 8.283 0.704 -6.990 1.00 63.31 C ATOM 522 C VAL A 36 9.036 -0.313 -7.837 1.00 0.12 C ATOM 523 O VAL A 36 8.426 -1.010 -8.656 1.00 11.42 O ATOM 524 CB VAL A 36 8.277 0.343 -5.507 1.00 23.35 C ATOM 525 CG1 VAL A 36 7.555 1.385 -4.638 1.00 42.10 C ATOM 526 CG2 VAL A 36 7.851 -1.083 -5.185 1.00 52.31 C ATOM 0 H VAL A 36 6.390 -0.059 -7.195 1.00 64.11 H new ATOM 0 HA VAL A 36 8.796 1.658 -7.107 1.00 63.31 H new ATOM 0 HB VAL A 36 9.331 0.374 -5.232 1.00 23.35 H new ATOM 0 HG11 VAL A 36 7.585 1.072 -3.594 1.00 42.10 H new ATOM 0 HG12 VAL A 36 8.050 2.351 -4.741 1.00 42.10 H new ATOM 0 HG13 VAL A 36 6.518 1.472 -4.961 1.00 42.10 H new ATOM 0 HG21 VAL A 36 7.881 -1.237 -4.106 1.00 52.31 H new ATOM 0 HG22 VAL A 36 6.837 -1.250 -5.547 1.00 52.31 H new ATOM 0 HG23 VAL A 36 8.530 -1.784 -5.670 1.00 52.31 H new ATOM 536 N ASN A 37 10.339 -0.398 -7.584 1.00 23.34 N ATOM 537 CA ASN A 37 11.235 -1.423 -8.075 1.00 64.23 C ATOM 538 C ASN A 37 11.034 -2.714 -7.260 1.00 22.23 C ATOM 539 O ASN A 37 10.234 -3.553 -7.664 1.00 62.44 O ATOM 540 CB ASN A 37 12.673 -0.860 -8.101 1.00 24.41 C ATOM 541 CG ASN A 37 13.203 -0.401 -6.745 1.00 15.42 C ATOM 542 OD1 ASN A 37 12.736 0.597 -6.192 1.00 44.01 O ATOM 543 ND2 ASN A 37 14.109 -1.157 -6.149 1.00 53.50 N ATOM 0 H ASN A 37 10.817 0.287 -6.999 1.00 23.34 H new ATOM 0 HA ASN A 37 11.016 -1.706 -9.104 1.00 64.23 H new ATOM 0 HB2 ASN A 37 13.341 -1.625 -8.497 1.00 24.41 H new ATOM 0 HB3 ASN A 37 12.707 -0.018 -8.793 1.00 24.41 H new ATOM 0 HD21 ASN A 37 14.436 -0.919 -5.212 1.00 53.50 H new ATOM 0 HD22 ASN A 37 14.481 -1.978 -6.626 1.00 53.50 H new ATOM 549 N THR A 38 11.677 -2.899 -6.103 1.00 60.40 N ATOM 550 CA THR A 38 11.708 -4.150 -5.355 1.00 74.44 C ATOM 551 C THR A 38 11.755 -3.881 -3.843 1.00 33.15 C ATOM 552 O THR A 38 12.253 -2.849 -3.385 1.00 73.10 O ATOM 553 CB THR A 38 12.903 -4.991 -5.851 1.00 0.24 C ATOM 554 OG1 THR A 38 12.736 -5.426 -7.189 1.00 42.50 O ATOM 555 CG2 THR A 38 13.113 -6.284 -5.077 1.00 53.53 C ATOM 0 H THR A 38 12.207 -2.154 -5.650 1.00 60.40 H new ATOM 0 HA THR A 38 10.795 -4.719 -5.529 1.00 74.44 H new ATOM 0 HB THR A 38 13.744 -4.309 -5.724 1.00 0.24 H new ATOM 0 HG1 THR A 38 13.516 -5.953 -7.462 1.00 42.50 H new ATOM 0 HG21 THR A 38 13.971 -6.818 -5.486 1.00 53.53 H new ATOM 0 HG22 THR A 38 13.295 -6.054 -4.027 1.00 53.53 H new ATOM 0 HG23 THR A 38 12.223 -6.908 -5.163 1.00 53.53 H new ATOM 563 N LEU A 39 11.240 -4.825 -3.057 1.00 62.10 N ATOM 564 CA LEU A 39 11.138 -4.799 -1.610 1.00 12.31 C ATOM 565 C LEU A 39 11.610 -6.134 -1.039 1.00 13.32 C ATOM 566 O LEU A 39 11.168 -7.188 -1.502 1.00 1.43 O ATOM 567 CB LEU A 39 9.673 -4.541 -1.198 1.00 22.02 C ATOM 568 CG LEU A 39 9.457 -3.484 -0.125 1.00 51.30 C ATOM 569 CD1 LEU A 39 10.139 -3.994 1.105 1.00 73.51 C ATOM 570 CD2 LEU A 39 10.072 -2.104 -0.351 1.00 21.24 C ATOM 0 H LEU A 39 10.858 -5.686 -3.448 1.00 62.10 H new ATOM 0 HA LEU A 39 11.766 -4.000 -1.217 1.00 12.31 H new ATOM 0 HB2 LEU A 39 9.113 -4.248 -2.086 1.00 22.02 H new ATOM 0 HB3 LEU A 39 9.245 -5.480 -0.846 1.00 22.02 H new ATOM 0 HG LEU A 39 8.377 -3.341 -0.092 1.00 51.30 H new ATOM 0 HD11 LEU A 39 10.017 -3.273 1.914 1.00 73.51 H new ATOM 0 HD12 LEU A 39 9.697 -4.946 1.398 1.00 73.51 H new ATOM 0 HD13 LEU A 39 11.200 -4.134 0.901 1.00 73.51 H new ATOM 0 HD21 LEU A 39 9.836 -1.458 0.494 1.00 21.24 H new ATOM 0 HD22 LEU A 39 11.154 -2.199 -0.444 1.00 21.24 H new ATOM 0 HD23 LEU A 39 9.666 -1.670 -1.265 1.00 21.24 H new ATOM 581 N GLY A 40 12.462 -6.072 -0.015 1.00 53.51 N ATOM 582 CA GLY A 40 12.975 -7.216 0.718 1.00 40.22 C ATOM 583 C GLY A 40 11.945 -7.843 1.664 1.00 20.13 C ATOM 584 O GLY A 40 10.823 -7.358 1.797 1.00 51.34 O ATOM 0 H GLY A 40 12.824 -5.185 0.336 1.00 53.51 H new ATOM 0 HA2 GLY A 40 13.313 -7.971 0.008 1.00 40.22 H new ATOM 0 HA3 GLY A 40 13.847 -6.908 1.295 1.00 40.22 H new ATOM 588 N SER A 41 12.309 -8.931 2.336 1.00 21.25 N ATOM 589 CA SER A 41 11.510 -9.535 3.401 1.00 12.53 C ATOM 590 C SER A 41 11.570 -8.642 4.642 1.00 74.33 C ATOM 591 O SER A 41 12.665 -8.276 5.070 1.00 1.51 O ATOM 592 CB SER A 41 12.069 -10.925 3.718 1.00 43.20 C ATOM 593 OG SER A 41 13.489 -10.880 3.787 1.00 12.41 O ATOM 0 H SER A 41 13.181 -9.427 2.154 1.00 21.25 H new ATOM 0 HA SER A 41 10.471 -9.632 3.085 1.00 12.53 H new ATOM 0 HB2 SER A 41 11.663 -11.281 4.665 1.00 43.20 H new ATOM 0 HB3 SER A 41 11.757 -11.634 2.951 1.00 43.20 H new ATOM 0 HG SER A 41 13.768 -10.075 4.271 1.00 12.41 H new ATOM 598 N HIS A 42 10.410 -8.316 5.217 1.00 54.20 N ATOM 599 CA HIS A 42 10.225 -7.400 6.344 1.00 51.40 C ATOM 600 C HIS A 42 10.733 -5.972 6.085 1.00 34.24 C ATOM 601 O HIS A 42 10.791 -5.162 7.017 1.00 74.50 O ATOM 602 CB HIS A 42 10.737 -8.031 7.651 1.00 3.12 C ATOM 603 CG HIS A 42 9.611 -8.499 8.538 1.00 4.11 C ATOM 604 ND1 HIS A 42 8.998 -7.755 9.522 1.00 21.34 N ATOM 605 CD2 HIS A 42 9.003 -9.723 8.492 1.00 52.42 C ATOM 606 CE1 HIS A 42 8.038 -8.520 10.074 1.00 0.01 C ATOM 607 NE2 HIS A 42 8.009 -9.732 9.483 1.00 54.14 N ATOM 0 H HIS A 42 9.526 -8.706 4.890 1.00 54.20 H new ATOM 0 HA HIS A 42 9.152 -7.255 6.465 1.00 51.40 H new ATOM 0 HB2 HIS A 42 11.386 -8.875 7.415 1.00 3.12 H new ATOM 0 HB3 HIS A 42 11.343 -7.303 8.190 1.00 3.12 H new ATOM 0 HD2 HIS A 42 9.243 -10.532 7.818 1.00 52.42 H new ATOM 0 HE1 HIS A 42 7.385 -8.208 10.875 1.00 0.01 H new ATOM 0 HE2 HIS A 42 7.385 -10.506 9.712 1.00 54.14 H new ATOM 614 N ASP A 43 11.062 -5.640 4.835 1.00 73.12 N ATOM 615 CA ASP A 43 11.502 -4.311 4.434 1.00 71.22 C ATOM 616 C ASP A 43 10.318 -3.354 4.344 1.00 71.42 C ATOM 617 O ASP A 43 9.159 -3.738 4.518 1.00 43.00 O ATOM 618 CB ASP A 43 12.377 -4.379 3.179 1.00 40.02 C ATOM 619 CG ASP A 43 13.885 -4.394 3.386 1.00 71.23 C ATOM 620 OD1 ASP A 43 14.485 -5.468 3.638 1.00 4.03 O ATOM 621 OD2 ASP A 43 14.474 -3.319 3.140 1.00 60.10 O ATOM 0 H ASP A 43 11.028 -6.304 4.061 1.00 73.12 H new ATOM 0 HA ASP A 43 12.149 -3.891 5.204 1.00 71.22 H new ATOM 0 HB2 ASP A 43 12.103 -5.276 2.623 1.00 40.02 H new ATOM 0 HB3 ASP A 43 12.130 -3.525 2.548 1.00 40.02 H new ATOM 625 N SER A 44 10.600 -2.090 4.043 1.00 1.35 N ATOM 626 CA SER A 44 9.590 -1.076 3.780 1.00 63.11 C ATOM 627 C SER A 44 10.119 -0.024 2.802 1.00 13.41 C ATOM 628 O SER A 44 11.304 -0.042 2.450 1.00 1.03 O ATOM 629 CB SER A 44 9.094 -0.494 5.114 1.00 42.44 C ATOM 630 OG SER A 44 10.139 -0.128 5.993 1.00 52.40 O ATOM 0 H SER A 44 11.555 -1.738 3.974 1.00 1.35 H new ATOM 0 HA SER A 44 8.726 -1.521 3.287 1.00 63.11 H new ATOM 0 HB2 SER A 44 8.476 0.381 4.912 1.00 42.44 H new ATOM 0 HB3 SER A 44 8.456 -1.228 5.607 1.00 42.44 H new ATOM 0 HG SER A 44 9.759 0.236 6.820 1.00 52.40 H new ATOM 635 N ILE A 45 9.237 0.863 2.337 1.00 43.21 N ATOM 636 CA ILE A 45 9.549 1.990 1.471 1.00 61.24 C ATOM 637 C ILE A 45 8.479 3.054 1.654 1.00 71.20 C ATOM 638 O ILE A 45 7.295 2.743 1.788 1.00 52.45 O ATOM 639 CB ILE A 45 9.665 1.523 0.003 1.00 72.52 C ATOM 640 CG1 ILE A 45 10.069 2.687 -0.916 1.00 52.43 C ATOM 641 CG2 ILE A 45 8.384 0.834 -0.518 1.00 62.12 C ATOM 642 CD1 ILE A 45 10.524 2.202 -2.290 1.00 74.22 C ATOM 0 H ILE A 45 8.245 0.809 2.566 1.00 43.21 H new ATOM 0 HA ILE A 45 10.514 2.421 1.739 1.00 61.24 H new ATOM 0 HB ILE A 45 10.452 0.770 -0.016 1.00 72.52 H new ATOM 0 HG12 ILE A 45 9.224 3.366 -1.033 1.00 52.43 H new ATOM 0 HG13 ILE A 45 10.873 3.256 -0.448 1.00 52.43 H new ATOM 0 HG21 ILE A 45 8.530 0.530 -1.554 1.00 62.12 H new ATOM 0 HG22 ILE A 45 8.170 -0.044 0.091 1.00 62.12 H new ATOM 0 HG23 ILE A 45 7.547 1.530 -0.459 1.00 62.12 H new ATOM 0 HD11 ILE A 45 10.800 3.058 -2.905 1.00 74.22 H new ATOM 0 HD12 ILE A 45 11.386 1.544 -2.177 1.00 74.22 H new ATOM 0 HD13 ILE A 45 9.712 1.656 -2.771 1.00 74.22 H new ATOM 653 N ASP A 46 8.886 4.312 1.598 1.00 11.43 N ATOM 654 CA ASP A 46 8.055 5.481 1.750 1.00 13.05 C ATOM 655 C ASP A 46 8.182 6.341 0.512 1.00 71.50 C ATOM 656 O ASP A 46 9.237 6.366 -0.125 1.00 22.52 O ATOM 657 CB ASP A 46 8.476 6.301 2.964 1.00 13.33 C ATOM 658 CG ASP A 46 9.934 6.768 2.957 1.00 0.22 C ATOM 659 OD1 ASP A 46 10.819 6.009 3.401 1.00 32.42 O ATOM 660 OD2 ASP A 46 10.202 7.951 2.641 1.00 42.20 O ATOM 0 H ASP A 46 9.864 4.551 1.435 1.00 11.43 H new ATOM 0 HA ASP A 46 7.024 5.155 1.890 1.00 13.05 H new ATOM 0 HB2 ASP A 46 7.830 7.176 3.034 1.00 13.33 H new ATOM 0 HB3 ASP A 46 8.305 5.707 3.862 1.00 13.33 H new ATOM 664 N PHE A 47 7.096 7.029 0.169 1.00 63.14 N ATOM 665 CA PHE A 47 7.075 7.990 -0.924 1.00 52.10 C ATOM 666 C PHE A 47 5.924 8.980 -0.753 1.00 75.35 C ATOM 667 O PHE A 47 4.924 8.693 -0.088 1.00 3.01 O ATOM 668 CB PHE A 47 6.992 7.273 -2.285 1.00 73.34 C ATOM 669 CG PHE A 47 6.042 6.094 -2.370 1.00 2.35 C ATOM 670 CD1 PHE A 47 6.422 4.837 -1.859 1.00 21.22 C ATOM 671 CD2 PHE A 47 4.789 6.242 -2.983 1.00 52.11 C ATOM 672 CE1 PHE A 47 5.519 3.762 -1.873 1.00 0.44 C ATOM 673 CE2 PHE A 47 3.913 5.149 -3.058 1.00 60.41 C ATOM 674 CZ PHE A 47 4.254 3.923 -2.454 1.00 71.11 C ATOM 0 H PHE A 47 6.200 6.933 0.647 1.00 63.14 H new ATOM 0 HA PHE A 47 8.008 8.552 -0.900 1.00 52.10 H new ATOM 0 HB2 PHE A 47 6.698 8.004 -3.038 1.00 73.34 H new ATOM 0 HB3 PHE A 47 7.991 6.926 -2.550 1.00 73.34 H new ATOM 0 HD1 PHE A 47 7.414 4.700 -1.454 1.00 21.22 H new ATOM 0 HD2 PHE A 47 4.499 7.197 -3.397 1.00 52.11 H new ATOM 0 HE1 PHE A 47 5.798 2.814 -1.437 1.00 0.44 H new ATOM 0 HE2 PHE A 47 2.973 5.248 -3.581 1.00 60.41 H new ATOM 0 HZ PHE A 47 3.543 3.110 -2.439 1.00 71.11 H new ATOM 683 N SER A 48 6.079 10.145 -1.381 1.00 11.21 N ATOM 684 CA SER A 48 5.075 11.192 -1.503 1.00 20.12 C ATOM 685 C SER A 48 3.859 10.672 -2.286 1.00 12.23 C ATOM 686 O SER A 48 3.959 9.685 -3.020 1.00 64.52 O ATOM 687 CB SER A 48 5.757 12.368 -2.220 1.00 42.04 C ATOM 688 OG SER A 48 4.970 13.539 -2.259 1.00 55.25 O ATOM 0 H SER A 48 6.955 10.393 -1.841 1.00 11.21 H new ATOM 0 HA SER A 48 4.702 11.511 -0.530 1.00 20.12 H new ATOM 0 HB2 SER A 48 6.700 12.590 -1.720 1.00 42.04 H new ATOM 0 HB3 SER A 48 6.000 12.069 -3.240 1.00 42.04 H new ATOM 0 HG SER A 48 5.461 14.247 -2.726 1.00 55.25 H new ATOM 693 N SER A 49 2.734 11.382 -2.181 1.00 43.02 N ATOM 694 CA SER A 49 1.507 11.141 -2.916 1.00 60.51 C ATOM 695 C SER A 49 1.072 12.480 -3.538 1.00 11.03 C ATOM 696 O SER A 49 1.541 13.541 -3.111 1.00 13.32 O ATOM 697 CB SER A 49 0.439 10.529 -1.976 1.00 75.11 C ATOM 698 OG SER A 49 0.867 10.302 -0.639 1.00 11.14 O ATOM 0 H SER A 49 2.658 12.178 -1.548 1.00 43.02 H new ATOM 0 HA SER A 49 1.650 10.417 -3.718 1.00 60.51 H new ATOM 0 HB2 SER A 49 -0.426 11.191 -1.956 1.00 75.11 H new ATOM 0 HB3 SER A 49 0.106 9.582 -2.399 1.00 75.11 H new ATOM 0 HG SER A 49 1.355 11.087 -0.314 1.00 11.14 H new ATOM 703 N ASP A 50 0.131 12.476 -4.483 1.00 60.55 N ATOM 704 CA ASP A 50 -0.361 13.671 -5.186 1.00 34.54 C ATOM 705 C ASP A 50 -1.808 13.921 -4.771 1.00 35.52 C ATOM 706 O ASP A 50 -2.733 13.757 -5.561 1.00 43.03 O ATOM 707 CB ASP A 50 -0.263 13.456 -6.702 1.00 1.22 C ATOM 708 CG ASP A 50 -0.447 14.742 -7.510 1.00 64.14 C ATOM 709 OD1 ASP A 50 -0.140 15.834 -6.976 1.00 33.50 O ATOM 710 OD2 ASP A 50 -0.761 14.622 -8.720 1.00 1.12 O ATOM 0 H ASP A 50 -0.326 11.618 -4.793 1.00 60.55 H new ATOM 0 HA ASP A 50 0.244 14.539 -4.924 1.00 34.54 H new ATOM 0 HB2 ASP A 50 0.709 13.023 -6.938 1.00 1.22 H new ATOM 0 HB3 ASP A 50 -1.018 12.732 -7.009 1.00 1.22 H new ATOM 714 N ALA A 51 -2.032 14.142 -3.477 1.00 2.41 N ATOM 715 CA ALA A 51 -3.352 14.030 -2.881 1.00 54.35 C ATOM 716 C ALA A 51 -3.423 14.884 -1.625 1.00 43.44 C ATOM 717 O ALA A 51 -2.748 14.584 -0.633 1.00 11.10 O ATOM 718 CB ALA A 51 -3.608 12.562 -2.537 1.00 42.02 C ATOM 0 H ALA A 51 -1.300 14.404 -2.816 1.00 2.41 H new ATOM 0 HA ALA A 51 -4.111 14.381 -3.581 1.00 54.35 H new ATOM 0 HB1 ALA A 51 -4.596 12.460 -2.088 1.00 42.02 H new ATOM 0 HB2 ALA A 51 -3.559 11.962 -3.445 1.00 42.02 H new ATOM 0 HB3 ALA A 51 -2.852 12.216 -1.832 1.00 42.02 H new ATOM 724 N GLY A 52 -4.244 15.926 -1.649 1.00 52.43 N ATOM 725 CA GLY A 52 -4.649 16.609 -0.435 1.00 52.21 C ATOM 726 C GLY A 52 -5.185 15.616 0.596 1.00 51.44 C ATOM 727 O GLY A 52 -4.881 15.759 1.778 1.00 62.35 O ATOM 0 H GLY A 52 -4.643 16.316 -2.503 1.00 52.43 H new ATOM 0 HA2 GLY A 52 -3.800 17.151 -0.017 1.00 52.21 H new ATOM 0 HA3 GLY A 52 -5.416 17.348 -0.667 1.00 52.21 H new ATOM 731 N SER A 53 -5.932 14.590 0.181 1.00 5.01 N ATOM 732 CA SER A 53 -6.466 13.577 1.088 1.00 71.22 C ATOM 733 C SER A 53 -6.737 12.264 0.341 1.00 21.10 C ATOM 734 O SER A 53 -6.770 12.240 -0.889 1.00 72.11 O ATOM 735 CB SER A 53 -7.714 14.152 1.778 1.00 65.51 C ATOM 736 OG SER A 53 -8.531 14.909 0.893 1.00 31.44 O ATOM 0 H SER A 53 -6.183 14.440 -0.796 1.00 5.01 H new ATOM 0 HA SER A 53 -5.737 13.329 1.859 1.00 71.22 H new ATOM 0 HB2 SER A 53 -8.301 13.335 2.198 1.00 65.51 H new ATOM 0 HB3 SER A 53 -7.405 14.784 2.611 1.00 65.51 H new ATOM 0 HG SER A 53 -9.311 15.250 1.379 1.00 31.44 H new ATOM 741 N VAL A 54 -6.945 11.166 1.070 1.00 51.43 N ATOM 742 CA VAL A 54 -7.153 9.826 0.524 1.00 73.31 C ATOM 743 C VAL A 54 -8.348 9.215 1.259 1.00 12.41 C ATOM 744 O VAL A 54 -8.560 9.466 2.446 1.00 21.23 O ATOM 745 CB VAL A 54 -5.876 8.968 0.718 1.00 21.31 C ATOM 746 CG1 VAL A 54 -6.040 7.544 0.144 1.00 33.14 C ATOM 747 CG2 VAL A 54 -4.633 9.636 0.102 1.00 33.53 C ATOM 0 H VAL A 54 -6.974 11.187 2.089 1.00 51.43 H new ATOM 0 HA VAL A 54 -7.355 9.865 -0.546 1.00 73.31 H new ATOM 0 HB VAL A 54 -5.729 8.890 1.795 1.00 21.31 H new ATOM 0 HG11 VAL A 54 -5.121 6.980 0.303 1.00 33.14 H new ATOM 0 HG12 VAL A 54 -6.866 7.042 0.648 1.00 33.14 H new ATOM 0 HG13 VAL A 54 -6.249 7.604 -0.924 1.00 33.14 H new ATOM 0 HG21 VAL A 54 -3.762 9.001 0.261 1.00 33.53 H new ATOM 0 HG22 VAL A 54 -4.788 9.777 -0.968 1.00 33.53 H new ATOM 0 HG23 VAL A 54 -4.468 10.604 0.576 1.00 33.53 H new ATOM 757 N TYR A 55 -9.125 8.387 0.563 1.00 2.22 N ATOM 758 CA TYR A 55 -10.303 7.708 1.106 1.00 3.03 C ATOM 759 C TYR A 55 -10.500 6.302 0.522 1.00 71.13 C ATOM 760 O TYR A 55 -11.474 5.621 0.844 1.00 51.05 O ATOM 761 CB TYR A 55 -11.535 8.596 0.921 1.00 70.43 C ATOM 762 CG TYR A 55 -11.601 9.319 -0.415 1.00 45.34 C ATOM 763 CD1 TYR A 55 -11.336 8.617 -1.607 1.00 72.52 C ATOM 764 CD2 TYR A 55 -11.837 10.704 -0.461 1.00 45.22 C ATOM 765 CE1 TYR A 55 -11.247 9.283 -2.836 1.00 53.21 C ATOM 766 CE2 TYR A 55 -11.835 11.371 -1.699 1.00 25.50 C ATOM 767 CZ TYR A 55 -11.542 10.669 -2.893 1.00 2.43 C ATOM 768 OH TYR A 55 -11.565 11.315 -4.090 1.00 2.11 O ATOM 0 H TYR A 55 -8.950 8.164 -0.417 1.00 2.22 H new ATOM 0 HA TYR A 55 -10.145 7.551 2.173 1.00 3.03 H new ATOM 0 HB2 TYR A 55 -12.429 7.982 1.031 1.00 70.43 H new ATOM 0 HB3 TYR A 55 -11.556 9.336 1.721 1.00 70.43 H new ATOM 0 HD1 TYR A 55 -11.199 7.546 -1.573 1.00 72.52 H new ATOM 0 HD2 TYR A 55 -12.019 11.254 0.451 1.00 45.22 H new ATOM 0 HE1 TYR A 55 -10.958 8.748 -3.728 1.00 53.21 H new ATOM 0 HE2 TYR A 55 -12.059 12.427 -1.739 1.00 25.50 H new ATOM 0 HH TYR A 55 -11.785 12.259 -3.948 1.00 2.11 H new ATOM 777 N LYS A 56 -9.605 5.853 -0.359 1.00 41.11 N ATOM 778 CA LYS A 56 -9.641 4.553 -1.013 1.00 54.15 C ATOM 779 C LYS A 56 -8.201 4.139 -1.282 1.00 34.53 C ATOM 780 O LYS A 56 -7.342 5.015 -1.376 1.00 44.24 O ATOM 781 CB LYS A 56 -10.433 4.609 -2.341 1.00 23.53 C ATOM 782 CG LYS A 56 -10.085 5.770 -3.307 1.00 21.44 C ATOM 783 CD LYS A 56 -9.539 5.411 -4.692 1.00 50.35 C ATOM 784 CE LYS A 56 -10.356 4.393 -5.505 1.00 5.42 C ATOM 785 NZ LYS A 56 -11.464 4.997 -6.278 1.00 11.20 N ATOM 0 H LYS A 56 -8.802 6.413 -0.646 1.00 41.11 H new ATOM 0 HA LYS A 56 -10.145 3.831 -0.370 1.00 54.15 H new ATOM 0 HB2 LYS A 56 -10.279 3.668 -2.869 1.00 23.53 H new ATOM 0 HB3 LYS A 56 -11.495 4.671 -2.102 1.00 23.53 H new ATOM 0 HG2 LYS A 56 -10.985 6.369 -3.447 1.00 21.44 H new ATOM 0 HG3 LYS A 56 -9.351 6.407 -2.813 1.00 21.44 H new ATOM 0 HD2 LYS A 56 -9.457 6.328 -5.276 1.00 50.35 H new ATOM 0 HD3 LYS A 56 -8.529 5.020 -4.570 1.00 50.35 H new ATOM 0 HE2 LYS A 56 -9.689 3.871 -6.191 1.00 5.42 H new ATOM 0 HE3 LYS A 56 -10.765 3.644 -4.826 1.00 5.42 H new ATOM 0 HZ1 LYS A 56 -11.969 4.253 -6.800 1.00 11.20 H new ATOM 0 HZ2 LYS A 56 -12.122 5.472 -5.628 1.00 11.20 H new ATOM 0 HZ3 LYS A 56 -11.080 5.691 -6.950 1.00 11.20 H new ATOM 795 N MET A 57 -7.935 2.851 -1.448 1.00 24.22 N ATOM 796 CA MET A 57 -6.656 2.355 -1.926 1.00 14.31 C ATOM 797 C MET A 57 -6.952 1.139 -2.789 1.00 33.14 C ATOM 798 O MET A 57 -7.909 0.412 -2.518 1.00 41.13 O ATOM 799 CB MET A 57 -5.727 2.038 -0.741 1.00 45.44 C ATOM 800 CG MET A 57 -4.383 1.399 -1.138 1.00 30.10 C ATOM 801 SD MET A 57 -2.935 1.964 -0.199 1.00 33.44 S ATOM 802 CE MET A 57 -2.764 3.669 -0.794 1.00 31.10 C ATOM 0 H MET A 57 -8.611 2.113 -1.251 1.00 24.22 H new ATOM 0 HA MET A 57 -6.128 3.100 -2.522 1.00 14.31 H new ATOM 0 HB2 MET A 57 -5.529 2.960 -0.194 1.00 45.44 H new ATOM 0 HB3 MET A 57 -6.247 1.367 -0.057 1.00 45.44 H new ATOM 0 HG2 MET A 57 -4.468 0.318 -1.024 1.00 30.10 H new ATOM 0 HG3 MET A 57 -4.207 1.595 -2.196 1.00 30.10 H new ATOM 0 HE1 MET A 57 -1.958 4.164 -0.252 1.00 31.10 H new ATOM 0 HE2 MET A 57 -2.534 3.661 -1.859 1.00 31.10 H new ATOM 0 HE3 MET A 57 -3.697 4.207 -0.629 1.00 31.10 H new ATOM 810 N ASP A 58 -6.154 0.950 -3.837 1.00 73.33 N ATOM 811 CA ASP A 58 -6.280 -0.174 -4.752 1.00 73.04 C ATOM 812 C ASP A 58 -4.872 -0.620 -5.137 1.00 24.41 C ATOM 813 O ASP A 58 -4.345 -0.326 -6.218 1.00 12.22 O ATOM 814 CB ASP A 58 -7.170 0.141 -5.972 1.00 25.32 C ATOM 815 CG ASP A 58 -8.310 1.132 -5.761 1.00 2.34 C ATOM 816 OD1 ASP A 58 -9.441 0.750 -5.382 1.00 2.44 O ATOM 817 OD2 ASP A 58 -8.116 2.293 -6.175 1.00 3.50 O ATOM 0 H ASP A 58 -5.392 1.584 -4.075 1.00 73.33 H new ATOM 0 HA ASP A 58 -6.798 -0.995 -4.256 1.00 73.04 H new ATOM 0 HB2 ASP A 58 -6.531 0.524 -6.767 1.00 25.32 H new ATOM 0 HB3 ASP A 58 -7.597 -0.796 -6.330 1.00 25.32 H new ATOM 821 N VAL A 59 -4.210 -1.276 -4.188 1.00 63.12 N ATOM 822 CA VAL A 59 -2.884 -1.853 -4.397 1.00 11.30 C ATOM 823 C VAL A 59 -3.010 -3.168 -5.141 1.00 4.43 C ATOM 824 O VAL A 59 -4.044 -3.835 -5.051 1.00 30.31 O ATOM 825 CB VAL A 59 -2.142 -1.987 -3.058 1.00 44.21 C ATOM 826 CG1 VAL A 59 -2.796 -2.835 -1.990 1.00 25.11 C ATOM 827 CG2 VAL A 59 -0.658 -2.331 -3.175 1.00 44.31 C ATOM 0 H VAL A 59 -4.579 -1.423 -3.249 1.00 63.12 H new ATOM 0 HA VAL A 59 -2.282 -1.189 -5.018 1.00 11.30 H new ATOM 0 HB VAL A 59 -2.224 -0.960 -2.703 1.00 44.21 H new ATOM 0 HG11 VAL A 59 -2.169 -2.845 -1.099 1.00 25.11 H new ATOM 0 HG12 VAL A 59 -3.772 -2.419 -1.742 1.00 25.11 H new ATOM 0 HG13 VAL A 59 -2.919 -3.853 -2.359 1.00 25.11 H new ATOM 0 HG21 VAL A 59 -0.222 -2.404 -2.179 1.00 44.31 H new ATOM 0 HG22 VAL A 59 -0.545 -3.284 -3.691 1.00 44.31 H new ATOM 0 HG23 VAL A 59 -0.147 -1.550 -3.738 1.00 44.31 H new ATOM 837 N THR A 60 -1.958 -3.536 -5.861 1.00 41.41 N ATOM 838 CA THR A 60 -1.844 -4.769 -6.606 1.00 12.51 C ATOM 839 C THR A 60 -0.346 -4.981 -6.838 1.00 50.22 C ATOM 840 O THR A 60 0.340 -4.140 -7.418 1.00 54.25 O ATOM 841 CB THR A 60 -2.754 -4.729 -7.858 1.00 44.15 C ATOM 842 OG1 THR A 60 -2.483 -5.768 -8.779 1.00 72.32 O ATOM 843 CG2 THR A 60 -2.810 -3.378 -8.565 1.00 52.55 C ATOM 0 H THR A 60 -1.126 -2.951 -5.941 1.00 41.41 H new ATOM 0 HA THR A 60 -2.214 -5.648 -6.078 1.00 12.51 H new ATOM 0 HB THR A 60 -3.750 -4.897 -7.448 1.00 44.15 H new ATOM 0 HG1 THR A 60 -3.089 -5.692 -9.546 1.00 72.32 H new ATOM 0 HG21 THR A 60 -3.471 -3.447 -9.429 1.00 52.55 H new ATOM 0 HG22 THR A 60 -3.189 -2.623 -7.877 1.00 52.55 H new ATOM 0 HG23 THR A 60 -1.810 -3.098 -8.895 1.00 52.55 H new ATOM 851 N GLY A 61 0.193 -6.060 -6.286 1.00 12.23 N ATOM 852 CA GLY A 61 1.573 -6.473 -6.451 1.00 31.15 C ATOM 853 C GLY A 61 1.670 -7.989 -6.539 1.00 43.52 C ATOM 854 O GLY A 61 0.650 -8.674 -6.534 1.00 41.34 O ATOM 0 H GLY A 61 -0.342 -6.692 -5.690 1.00 12.23 H new ATOM 0 HA2 GLY A 61 1.988 -6.023 -7.353 1.00 31.15 H new ATOM 0 HA3 GLY A 61 2.169 -6.113 -5.612 1.00 31.15 H new ATOM 858 N THR A 62 2.891 -8.520 -6.629 1.00 2.21 N ATOM 859 CA THR A 62 3.120 -9.931 -6.917 1.00 35.31 C ATOM 860 C THR A 62 4.341 -10.457 -6.146 1.00 72.00 C ATOM 861 O THR A 62 5.352 -9.752 -6.028 1.00 22.13 O ATOM 862 CB THR A 62 3.289 -10.151 -8.433 1.00 73.10 C ATOM 863 OG1 THR A 62 2.515 -9.255 -9.204 1.00 2.55 O ATOM 864 CG2 THR A 62 2.901 -11.575 -8.825 1.00 71.32 C ATOM 0 H THR A 62 3.747 -7.980 -6.504 1.00 2.21 H new ATOM 0 HA THR A 62 2.248 -10.494 -6.585 1.00 35.31 H new ATOM 0 HB THR A 62 4.343 -9.971 -8.643 1.00 73.10 H new ATOM 0 HG1 THR A 62 2.659 -9.435 -10.157 1.00 2.55 H new ATOM 0 HG21 THR A 62 3.029 -11.704 -9.900 1.00 71.32 H new ATOM 0 HG22 THR A 62 3.537 -12.284 -8.296 1.00 71.32 H new ATOM 0 HG23 THR A 62 1.859 -11.754 -8.560 1.00 71.32 H new ATOM 872 N THR A 63 4.247 -11.680 -5.619 1.00 40.24 N ATOM 873 CA THR A 63 5.285 -12.349 -4.845 1.00 72.41 C ATOM 874 C THR A 63 6.468 -12.767 -5.709 1.00 72.24 C ATOM 875 O THR A 63 6.402 -12.768 -6.943 1.00 55.43 O ATOM 876 CB THR A 63 4.722 -13.599 -4.132 1.00 33.12 C ATOM 877 OG1 THR A 63 4.434 -14.619 -5.072 1.00 33.22 O ATOM 878 CG2 THR A 63 3.481 -13.303 -3.302 1.00 74.22 C ATOM 0 H THR A 63 3.409 -12.252 -5.727 1.00 40.24 H new ATOM 0 HA THR A 63 5.633 -11.626 -4.107 1.00 72.41 H new ATOM 0 HB THR A 63 5.498 -13.935 -3.444 1.00 33.12 H new ATOM 0 HG1 THR A 63 4.212 -15.447 -4.598 1.00 33.22 H new ATOM 0 HG21 THR A 63 3.134 -14.220 -2.827 1.00 74.22 H new ATOM 0 HG22 THR A 63 3.723 -12.566 -2.536 1.00 74.22 H new ATOM 0 HG23 THR A 63 2.696 -12.910 -3.948 1.00 74.22 H new ATOM 886 N GLN A 64 7.518 -13.238 -5.033 1.00 61.24 N ATOM 887 CA GLN A 64 8.649 -13.956 -5.605 1.00 21.01 C ATOM 888 C GLN A 64 8.301 -15.174 -6.490 1.00 74.21 C ATOM 889 O GLN A 64 9.147 -15.635 -7.254 1.00 55.33 O ATOM 890 CB GLN A 64 9.687 -14.228 -4.528 1.00 60.42 C ATOM 891 CG GLN A 64 9.233 -15.406 -3.722 1.00 3.54 C ATOM 892 CD GLN A 64 10.015 -16.667 -4.038 1.00 11.41 C ATOM 893 OE1 GLN A 64 9.531 -17.572 -4.707 1.00 34.14 O ATOM 894 NE2 GLN A 64 11.253 -16.713 -3.592 1.00 1.21 N ATOM 0 H GLN A 64 7.603 -13.121 -4.023 1.00 61.24 H new ATOM 0 HA GLN A 64 9.096 -13.292 -6.345 1.00 21.01 H new ATOM 0 HB2 GLN A 64 10.659 -14.429 -4.980 1.00 60.42 H new ATOM 0 HB3 GLN A 64 9.808 -13.354 -3.888 1.00 60.42 H new ATOM 0 HG2 GLN A 64 9.335 -15.176 -2.661 1.00 3.54 H new ATOM 0 HG3 GLN A 64 8.174 -15.583 -3.910 1.00 3.54 H new ATOM 0 HE21 GLN A 64 11.624 -15.942 -3.037 1.00 1.21 H new ATOM 0 HE22 GLN A 64 11.841 -17.520 -3.801 1.00 1.21 H new ATOM 901 N SER A 65 7.079 -15.691 -6.360 1.00 22.22 N ATOM 902 CA SER A 65 6.570 -16.897 -7.006 1.00 24.45 C ATOM 903 C SER A 65 5.425 -16.574 -7.978 1.00 13.34 C ATOM 904 O SER A 65 4.823 -17.482 -8.557 1.00 12.11 O ATOM 905 CB SER A 65 6.103 -17.864 -5.912 1.00 73.03 C ATOM 906 OG SER A 65 6.145 -19.207 -6.352 1.00 52.23 O ATOM 0 H SER A 65 6.377 -15.251 -5.765 1.00 22.22 H new ATOM 0 HA SER A 65 7.362 -17.355 -7.598 1.00 24.45 H new ATOM 0 HB2 SER A 65 6.734 -17.749 -5.031 1.00 73.03 H new ATOM 0 HB3 SER A 65 5.086 -17.611 -5.611 1.00 73.03 H new ATOM 0 HG SER A 65 5.843 -19.797 -5.630 1.00 52.23 H new ATOM 911 N GLY A 66 5.103 -15.292 -8.175 1.00 43.52 N ATOM 912 CA GLY A 66 4.079 -14.883 -9.120 1.00 24.01 C ATOM 913 C GLY A 66 2.672 -14.886 -8.537 1.00 3.45 C ATOM 914 O GLY A 66 1.719 -14.739 -9.301 1.00 52.44 O ATOM 0 H GLY A 66 5.547 -14.517 -7.682 1.00 43.52 H new ATOM 0 HA2 GLY A 66 4.311 -13.881 -9.482 1.00 24.01 H new ATOM 0 HA3 GLY A 66 4.107 -15.548 -9.983 1.00 24.01 H new ATOM 918 N GLU A 67 2.502 -15.026 -7.219 1.00 0.31 N ATOM 919 CA GLU A 67 1.193 -14.848 -6.616 1.00 24.41 C ATOM 920 C GLU A 67 0.877 -13.375 -6.564 1.00 4.42 C ATOM 921 O GLU A 67 1.651 -12.589 -6.031 1.00 23.03 O ATOM 922 CB GLU A 67 1.092 -15.426 -5.207 1.00 62.11 C ATOM 923 CG GLU A 67 1.149 -16.941 -5.232 1.00 33.22 C ATOM 924 CD GLU A 67 2.525 -17.534 -4.944 1.00 25.25 C ATOM 925 OE1 GLU A 67 3.354 -16.902 -4.230 1.00 10.55 O ATOM 926 OE2 GLU A 67 2.757 -18.659 -5.442 1.00 14.54 O ATOM 0 H GLU A 67 3.248 -15.259 -6.563 1.00 0.31 H new ATOM 0 HA GLU A 67 0.479 -15.391 -7.235 1.00 24.41 H new ATOM 0 HB2 GLU A 67 1.905 -15.039 -4.593 1.00 62.11 H new ATOM 0 HB3 GLU A 67 0.160 -15.102 -4.744 1.00 62.11 H new ATOM 0 HG2 GLU A 67 0.441 -17.329 -4.500 1.00 33.22 H new ATOM 0 HG3 GLU A 67 0.817 -17.287 -6.211 1.00 33.22 H new ATOM 931 N LYS A 68 -0.249 -12.990 -7.130 1.00 74.05 N ATOM 932 CA LYS A 68 -0.747 -11.636 -7.028 1.00 63.34 C ATOM 933 C LYS A 68 -1.337 -11.458 -5.631 1.00 61.23 C ATOM 934 O LYS A 68 -1.892 -12.389 -5.043 1.00 25.14 O ATOM 935 CB LYS A 68 -1.759 -11.425 -8.163 1.00 3.51 C ATOM 936 CG LYS A 68 -2.309 -9.997 -8.232 1.00 43.32 C ATOM 937 CD LYS A 68 -2.801 -9.650 -9.649 1.00 62.04 C ATOM 938 CE LYS A 68 -3.951 -8.643 -9.652 1.00 65.23 C ATOM 939 NZ LYS A 68 -5.247 -9.293 -9.369 1.00 52.44 N ATOM 0 H LYS A 68 -0.846 -13.611 -7.676 1.00 74.05 H new ATOM 0 HA LYS A 68 0.030 -10.880 -7.144 1.00 63.34 H new ATOM 0 HB2 LYS A 68 -1.284 -11.669 -9.113 1.00 3.51 H new ATOM 0 HB3 LYS A 68 -2.589 -12.120 -8.033 1.00 3.51 H new ATOM 0 HG2 LYS A 68 -3.130 -9.888 -7.524 1.00 43.32 H new ATOM 0 HG3 LYS A 68 -1.533 -9.292 -7.932 1.00 43.32 H new ATOM 0 HD2 LYS A 68 -1.970 -9.246 -10.227 1.00 62.04 H new ATOM 0 HD3 LYS A 68 -3.124 -10.563 -10.149 1.00 62.04 H new ATOM 0 HE2 LYS A 68 -3.761 -7.871 -8.906 1.00 65.23 H new ATOM 0 HE3 LYS A 68 -3.997 -8.146 -10.621 1.00 65.23 H new ATOM 0 HZ1 LYS A 68 -6.003 -8.579 -9.379 1.00 52.44 H new ATOM 0 HZ2 LYS A 68 -5.440 -10.012 -10.095 1.00 52.44 H new ATOM 0 HZ3 LYS A 68 -5.211 -9.746 -8.433 1.00 52.44 H new ATOM 949 N PHE A 69 -1.235 -10.245 -5.114 1.00 61.03 N ATOM 950 CA PHE A 69 -1.908 -9.778 -3.921 1.00 44.14 C ATOM 951 C PHE A 69 -2.413 -8.372 -4.224 1.00 63.21 C ATOM 952 O PHE A 69 -1.793 -7.643 -5.000 1.00 34.34 O ATOM 953 CB PHE A 69 -0.925 -9.808 -2.748 1.00 14.53 C ATOM 954 CG PHE A 69 0.337 -8.971 -2.913 1.00 51.25 C ATOM 955 CD1 PHE A 69 0.300 -7.583 -2.673 1.00 22.22 C ATOM 956 CD2 PHE A 69 1.553 -9.584 -3.280 1.00 32.23 C ATOM 957 CE1 PHE A 69 1.468 -6.810 -2.783 1.00 32.23 C ATOM 958 CE2 PHE A 69 2.729 -8.816 -3.348 1.00 11.14 C ATOM 959 CZ PHE A 69 2.691 -7.433 -3.087 1.00 63.35 C ATOM 0 H PHE A 69 -0.650 -9.526 -5.539 1.00 61.03 H new ATOM 0 HA PHE A 69 -2.752 -10.409 -3.642 1.00 44.14 H new ATOM 0 HB2 PHE A 69 -1.447 -9.469 -1.853 1.00 14.53 H new ATOM 0 HB3 PHE A 69 -0.631 -10.843 -2.573 1.00 14.53 H new ATOM 0 HD1 PHE A 69 -0.633 -7.110 -2.403 1.00 22.22 H new ATOM 0 HD2 PHE A 69 1.581 -10.639 -3.508 1.00 32.23 H new ATOM 0 HE1 PHE A 69 1.426 -5.741 -2.635 1.00 32.23 H new ATOM 0 HE2 PHE A 69 3.666 -9.289 -3.602 1.00 11.14 H new ATOM 0 HZ PHE A 69 3.600 -6.851 -3.120 1.00 63.35 H new ATOM 968 N THR A 70 -3.519 -7.960 -3.624 1.00 50.31 N ATOM 969 CA THR A 70 -4.112 -6.647 -3.819 1.00 23.04 C ATOM 970 C THR A 70 -4.764 -6.258 -2.510 1.00 61.42 C ATOM 971 O THR A 70 -5.001 -7.083 -1.625 1.00 5.43 O ATOM 972 CB THR A 70 -5.189 -6.719 -4.935 1.00 12.50 C ATOM 973 OG1 THR A 70 -6.245 -7.558 -4.549 1.00 70.32 O ATOM 974 CG2 THR A 70 -4.750 -7.268 -6.292 1.00 74.05 C ATOM 0 H THR A 70 -4.042 -8.544 -2.972 1.00 50.31 H new ATOM 0 HA THR A 70 -3.357 -5.918 -4.114 1.00 23.04 H new ATOM 0 HB THR A 70 -5.452 -5.668 -5.057 1.00 12.50 H new ATOM 0 HG1 THR A 70 -7.079 -7.242 -4.954 1.00 70.32 H new ATOM 0 HG21 THR A 70 -5.597 -7.263 -6.978 1.00 74.05 H new ATOM 0 HG22 THR A 70 -3.953 -6.644 -6.696 1.00 74.05 H new ATOM 0 HG23 THR A 70 -4.387 -8.289 -6.171 1.00 74.05 H new ATOM 982 N GLY A 71 -5.068 -4.976 -2.415 1.00 3.31 N ATOM 983 CA GLY A 71 -5.707 -4.395 -1.251 1.00 21.42 C ATOM 984 C GLY A 71 -6.720 -3.409 -1.769 1.00 64.25 C ATOM 985 O GLY A 71 -6.361 -2.289 -2.135 1.00 25.01 O ATOM 0 H GLY A 71 -4.875 -4.301 -3.155 1.00 3.31 H new ATOM 0 HA2 GLY A 71 -6.188 -5.165 -0.647 1.00 21.42 H new ATOM 0 HA3 GLY A 71 -4.975 -3.900 -0.613 1.00 21.42 H new ATOM 989 N HIS A 72 -7.949 -3.891 -1.909 1.00 71.03 N ATOM 990 CA HIS A 72 -9.110 -3.089 -2.233 1.00 62.42 C ATOM 991 C HIS A 72 -9.614 -2.534 -0.906 1.00 74.45 C ATOM 992 O HIS A 72 -9.978 -3.316 -0.021 1.00 31.22 O ATOM 993 CB HIS A 72 -10.149 -3.969 -2.943 1.00 62.15 C ATOM 994 CG HIS A 72 -9.598 -4.619 -4.188 1.00 24.44 C ATOM 995 ND1 HIS A 72 -9.665 -4.098 -5.457 1.00 21.14 N ATOM 996 CD2 HIS A 72 -8.864 -5.774 -4.248 1.00 74.25 C ATOM 997 CE1 HIS A 72 -8.969 -4.907 -6.269 1.00 64.11 C ATOM 998 NE2 HIS A 72 -8.428 -5.926 -5.572 1.00 42.31 N ATOM 0 H HIS A 72 -8.166 -4.881 -1.796 1.00 71.03 H new ATOM 0 HA HIS A 72 -8.889 -2.267 -2.914 1.00 62.42 H new ATOM 0 HB2 HIS A 72 -10.497 -4.741 -2.257 1.00 62.15 H new ATOM 0 HB3 HIS A 72 -11.016 -3.363 -3.206 1.00 62.15 H new ATOM 0 HD1 HIS A 72 -10.156 -3.248 -5.733 1.00 21.14 H new ATOM 0 HD2 HIS A 72 -8.659 -6.444 -3.426 1.00 74.25 H new ATOM 0 HE1 HIS A 72 -8.857 -4.762 -7.333 1.00 64.11 H new ATOM 1005 N PHE A 73 -9.563 -1.213 -0.731 1.00 50.34 N ATOM 1006 CA PHE A 73 -9.946 -0.555 0.507 1.00 70.23 C ATOM 1007 C PHE A 73 -10.682 0.735 0.201 1.00 14.50 C ATOM 1008 O PHE A 73 -10.547 1.324 -0.882 1.00 52.13 O ATOM 1009 CB PHE A 73 -8.711 -0.249 1.360 1.00 4.00 C ATOM 1010 CG PHE A 73 -7.953 -1.474 1.815 1.00 10.31 C ATOM 1011 CD1 PHE A 73 -8.512 -2.321 2.791 1.00 13.21 C ATOM 1012 CD2 PHE A 73 -6.684 -1.759 1.282 1.00 51.55 C ATOM 1013 CE1 PHE A 73 -7.793 -3.431 3.255 1.00 21.12 C ATOM 1014 CE2 PHE A 73 -5.958 -2.859 1.762 1.00 3.20 C ATOM 1015 CZ PHE A 73 -6.509 -3.686 2.751 1.00 65.31 C ATOM 0 H PHE A 73 -9.250 -0.568 -1.456 1.00 50.34 H new ATOM 0 HA PHE A 73 -10.601 -1.225 1.064 1.00 70.23 H new ATOM 0 HB2 PHE A 73 -8.038 0.389 0.788 1.00 4.00 H new ATOM 0 HB3 PHE A 73 -9.021 0.319 2.237 1.00 4.00 H new ATOM 0 HD1 PHE A 73 -9.497 -2.115 3.183 1.00 13.21 H new ATOM 0 HD2 PHE A 73 -6.269 -1.133 0.506 1.00 51.55 H new ATOM 0 HE1 PHE A 73 -8.225 -4.086 3.997 1.00 21.12 H new ATOM 0 HE2 PHE A 73 -4.974 -3.069 1.370 1.00 3.20 H new ATOM 0 HZ PHE A 73 -5.941 -4.524 3.127 1.00 65.31 H new ATOM 1024 N LYS A 74 -11.421 1.201 1.202 1.00 30.41 N ATOM 1025 CA LYS A 74 -12.363 2.302 1.115 1.00 23.51 C ATOM 1026 C LYS A 74 -12.520 2.920 2.500 1.00 70.22 C ATOM 1027 O LYS A 74 -12.002 2.379 3.479 1.00 13.30 O ATOM 1028 CB LYS A 74 -13.701 1.737 0.622 1.00 45.01 C ATOM 1029 CG LYS A 74 -14.393 2.618 -0.416 1.00 65.25 C ATOM 1030 CD LYS A 74 -15.737 1.963 -0.748 1.00 63.23 C ATOM 1031 CE LYS A 74 -16.500 2.722 -1.832 1.00 65.43 C ATOM 1032 NZ LYS A 74 -17.812 2.096 -2.082 1.00 45.44 N ATOM 0 H LYS A 74 -11.374 0.800 2.139 1.00 30.41 H new ATOM 0 HA LYS A 74 -12.015 3.071 0.425 1.00 23.51 H new ATOM 0 HB2 LYS A 74 -13.532 0.749 0.193 1.00 45.01 H new ATOM 0 HB3 LYS A 74 -14.366 1.605 1.475 1.00 45.01 H new ATOM 0 HG2 LYS A 74 -14.542 3.625 -0.027 1.00 65.25 H new ATOM 0 HG3 LYS A 74 -13.779 2.710 -1.312 1.00 65.25 H new ATOM 0 HD2 LYS A 74 -15.568 0.938 -1.076 1.00 63.23 H new ATOM 0 HD3 LYS A 74 -16.347 1.912 0.154 1.00 63.23 H new ATOM 0 HE2 LYS A 74 -16.639 3.759 -1.527 1.00 65.43 H new ATOM 0 HE3 LYS A 74 -15.917 2.735 -2.753 1.00 65.43 H new ATOM 0 HZ1 LYS A 74 -18.315 2.627 -2.822 1.00 45.44 H new ATOM 0 HZ2 LYS A 74 -17.674 1.113 -2.394 1.00 45.44 H new ATOM 0 HZ3 LYS A 74 -18.374 2.106 -1.207 1.00 45.44 H new ATOM 1042 N GLY A 75 -13.239 4.035 2.575 1.00 52.11 N ATOM 1043 CA GLY A 75 -13.529 4.725 3.824 1.00 33.31 C ATOM 1044 C GLY A 75 -12.269 5.147 4.578 1.00 42.44 C ATOM 1045 O GLY A 75 -12.269 5.182 5.809 1.00 72.42 O ATOM 0 H GLY A 75 -13.642 4.491 1.756 1.00 52.11 H new ATOM 0 HA2 GLY A 75 -14.133 5.608 3.614 1.00 33.31 H new ATOM 0 HA3 GLY A 75 -14.127 4.074 4.462 1.00 33.31 H new ATOM 1049 N LEU A 76 -11.178 5.414 3.852 1.00 64.24 N ATOM 1050 CA LEU A 76 -9.903 5.701 4.490 1.00 23.31 C ATOM 1051 C LEU A 76 -9.913 7.132 5.019 1.00 64.13 C ATOM 1052 O LEU A 76 -10.577 8.020 4.475 1.00 54.02 O ATOM 1053 CB LEU A 76 -8.728 5.477 3.528 1.00 63.35 C ATOM 1054 CG LEU A 76 -8.580 4.031 3.018 1.00 2.04 C ATOM 1055 CD1 LEU A 76 -7.354 3.963 2.106 1.00 4.31 C ATOM 1056 CD2 LEU A 76 -8.425 2.997 4.135 1.00 13.12 C ATOM 0 H LEU A 76 -11.158 5.436 2.832 1.00 64.24 H new ATOM 0 HA LEU A 76 -9.766 5.012 5.323 1.00 23.31 H new ATOM 0 HB2 LEU A 76 -8.847 6.140 2.671 1.00 63.35 H new ATOM 0 HB3 LEU A 76 -7.805 5.767 4.030 1.00 63.35 H new ATOM 0 HG LEU A 76 -9.499 3.782 2.488 1.00 2.04 H new ATOM 0 HD11 LEU A 76 -7.233 2.945 1.735 1.00 4.31 H new ATOM 0 HD12 LEU A 76 -7.488 4.643 1.265 1.00 4.31 H new ATOM 0 HD13 LEU A 76 -6.466 4.252 2.668 1.00 4.31 H new ATOM 0 HD21 LEU A 76 -8.326 2.003 3.699 1.00 13.12 H new ATOM 0 HD22 LEU A 76 -7.536 3.226 4.722 1.00 13.12 H new ATOM 0 HD23 LEU A 76 -9.303 3.024 4.781 1.00 13.12 H new ATOM 1067 N VAL A 77 -9.106 7.365 6.047 1.00 64.25 N ATOM 1068 CA VAL A 77 -8.982 8.646 6.719 1.00 73.23 C ATOM 1069 C VAL A 77 -7.520 8.900 7.077 1.00 70.55 C ATOM 1070 O VAL A 77 -6.752 7.949 7.257 1.00 72.44 O ATOM 1071 CB VAL A 77 -9.890 8.681 7.972 1.00 32.50 C ATOM 1072 CG1 VAL A 77 -11.361 8.904 7.595 1.00 30.12 C ATOM 1073 CG2 VAL A 77 -9.791 7.408 8.834 1.00 43.34 C ATOM 0 H VAL A 77 -8.504 6.645 6.445 1.00 64.25 H new ATOM 0 HA VAL A 77 -9.310 9.443 6.051 1.00 73.23 H new ATOM 0 HB VAL A 77 -9.523 9.520 8.563 1.00 32.50 H new ATOM 0 HG11 VAL A 77 -11.969 8.923 8.499 1.00 30.12 H new ATOM 0 HG12 VAL A 77 -11.462 9.854 7.070 1.00 30.12 H new ATOM 0 HG13 VAL A 77 -11.698 8.094 6.948 1.00 30.12 H new ATOM 0 HG21 VAL A 77 -10.453 7.499 9.695 1.00 43.34 H new ATOM 0 HG22 VAL A 77 -10.086 6.543 8.240 1.00 43.34 H new ATOM 0 HG23 VAL A 77 -8.764 7.280 9.177 1.00 43.34 H new ATOM 1083 N GLY A 78 -7.165 10.171 7.259 1.00 50.31 N ATOM 1084 CA GLY A 78 -5.897 10.610 7.830 1.00 65.51 C ATOM 1085 C GLY A 78 -4.886 11.030 6.769 1.00 34.53 C ATOM 1086 O GLY A 78 -5.001 10.675 5.595 1.00 63.51 O ATOM 0 H GLY A 78 -7.774 10.948 7.004 1.00 50.31 H new ATOM 0 HA2 GLY A 78 -6.078 11.447 8.505 1.00 65.51 H new ATOM 0 HA3 GLY A 78 -5.475 9.803 8.429 1.00 65.51 H new ATOM 1090 N LYS A 79 -3.885 11.802 7.198 1.00 52.32 N ATOM 1091 CA LYS A 79 -2.874 12.438 6.347 1.00 71.55 C ATOM 1092 C LYS A 79 -1.689 11.514 6.032 1.00 21.22 C ATOM 1093 O LYS A 79 -0.614 11.990 5.656 1.00 1.44 O ATOM 1094 CB LYS A 79 -2.453 13.780 6.989 1.00 42.41 C ATOM 1095 CG LYS A 79 -2.786 14.965 6.074 1.00 22.12 C ATOM 1096 CD LYS A 79 -2.622 16.312 6.809 1.00 64.25 C ATOM 1097 CE LYS A 79 -3.006 17.500 5.910 1.00 45.02 C ATOM 1098 NZ LYS A 79 -2.927 18.809 6.595 1.00 50.04 N ATOM 0 H LYS A 79 -3.750 12.010 8.187 1.00 52.32 H new ATOM 0 HA LYS A 79 -3.312 12.645 5.371 1.00 71.55 H new ATOM 0 HB2 LYS A 79 -2.961 13.903 7.946 1.00 42.41 H new ATOM 0 HB3 LYS A 79 -1.383 13.767 7.195 1.00 42.41 H new ATOM 0 HG2 LYS A 79 -2.135 14.945 5.200 1.00 22.12 H new ATOM 0 HG3 LYS A 79 -3.810 14.870 5.712 1.00 22.12 H new ATOM 0 HD2 LYS A 79 -3.244 16.317 7.704 1.00 64.25 H new ATOM 0 HD3 LYS A 79 -1.589 16.424 7.138 1.00 64.25 H new ATOM 0 HE2 LYS A 79 -2.349 17.514 5.040 1.00 45.02 H new ATOM 0 HE3 LYS A 79 -4.021 17.353 5.541 1.00 45.02 H new ATOM 0 HZ1 LYS A 79 -3.198 19.564 5.933 1.00 50.04 H new ATOM 0 HZ2 LYS A 79 -3.573 18.814 7.410 1.00 50.04 H new ATOM 0 HZ3 LYS A 79 -1.954 18.970 6.924 1.00 50.04 H new ATOM 1108 N ASP A 80 -1.867 10.201 6.148 1.00 32.30 N ATOM 1109 CA ASP A 80 -0.944 9.183 5.645 1.00 70.14 C ATOM 1110 C ASP A 80 -1.699 7.915 5.267 1.00 10.32 C ATOM 1111 O ASP A 80 -2.850 7.724 5.673 1.00 45.33 O ATOM 1112 CB ASP A 80 0.184 8.831 6.634 1.00 2.02 C ATOM 1113 CG ASP A 80 -0.245 8.156 7.945 1.00 21.44 C ATOM 1114 OD1 ASP A 80 -1.022 7.173 7.958 1.00 3.04 O ATOM 1115 OD2 ASP A 80 0.291 8.554 9.008 1.00 52.03 O ATOM 0 H ASP A 80 -2.684 9.801 6.610 1.00 32.30 H new ATOM 0 HA ASP A 80 -0.473 9.619 4.764 1.00 70.14 H new ATOM 0 HB2 ASP A 80 0.891 8.174 6.127 1.00 2.02 H new ATOM 0 HB3 ASP A 80 0.721 9.747 6.881 1.00 2.02 H new ATOM 1119 N THR A 81 -1.009 7.029 4.543 1.00 34.20 N ATOM 1120 CA THR A 81 -1.545 5.757 4.084 1.00 13.30 C ATOM 1121 C THR A 81 -0.458 4.677 4.224 1.00 13.31 C ATOM 1122 O THR A 81 0.470 4.595 3.416 1.00 54.11 O ATOM 1123 CB THR A 81 -2.077 5.912 2.640 1.00 72.55 C ATOM 1124 OG1 THR A 81 -2.624 7.191 2.365 1.00 34.53 O ATOM 1125 CG2 THR A 81 -3.210 4.917 2.417 1.00 51.35 C ATOM 0 H THR A 81 -0.042 7.185 4.257 1.00 34.20 H new ATOM 0 HA THR A 81 -2.391 5.441 4.694 1.00 13.30 H new ATOM 0 HB THR A 81 -1.217 5.749 1.990 1.00 72.55 H new ATOM 0 HG1 THR A 81 -2.939 7.220 1.437 1.00 34.53 H new ATOM 0 HG21 THR A 81 -3.590 5.020 1.401 1.00 51.35 H new ATOM 0 HG22 THR A 81 -2.838 3.903 2.564 1.00 51.35 H new ATOM 0 HG23 THR A 81 -4.013 5.115 3.127 1.00 51.35 H new ATOM 1133 N ARG A 82 -0.502 3.877 5.294 1.00 65.45 N ATOM 1134 CA ARG A 82 0.386 2.717 5.465 1.00 44.14 C ATOM 1135 C ARG A 82 -0.281 1.482 4.891 1.00 45.44 C ATOM 1136 O ARG A 82 -1.499 1.465 4.731 1.00 65.55 O ATOM 1137 CB ARG A 82 0.684 2.501 6.957 1.00 11.32 C ATOM 1138 CG ARG A 82 1.718 3.501 7.480 1.00 62.41 C ATOM 1139 CD ARG A 82 1.969 3.316 8.987 1.00 74.43 C ATOM 1140 NE ARG A 82 1.063 4.118 9.840 1.00 44.21 N ATOM 1141 CZ ARG A 82 1.024 5.456 9.958 1.00 10.10 C ATOM 1142 NH1 ARG A 82 1.813 6.245 9.241 1.00 24.42 N ATOM 1143 NH2 ARG A 82 0.198 6.043 10.813 1.00 45.03 N ATOM 0 H ARG A 82 -1.153 4.013 6.067 1.00 65.45 H new ATOM 0 HA ARG A 82 1.323 2.900 4.940 1.00 44.14 H new ATOM 0 HB2 ARG A 82 -0.238 2.598 7.530 1.00 11.32 H new ATOM 0 HB3 ARG A 82 1.049 1.486 7.112 1.00 11.32 H new ATOM 0 HG2 ARG A 82 2.654 3.376 6.936 1.00 62.41 H new ATOM 0 HG3 ARG A 82 1.372 4.517 7.290 1.00 62.41 H new ATOM 0 HD2 ARG A 82 1.854 2.262 9.240 1.00 74.43 H new ATOM 0 HD3 ARG A 82 3.001 3.587 9.211 1.00 74.43 H new ATOM 0 HE ARG A 82 0.392 3.595 10.402 1.00 44.21 H new ATOM 0 HH11 ARG A 82 2.473 5.839 8.577 1.00 24.42 H new ATOM 0 HH12 ARG A 82 1.760 7.257 9.353 1.00 24.42 H new ATOM 0 HH21 ARG A 82 -0.421 5.478 11.394 1.00 45.03 H new ATOM 0 HH22 ARG A 82 0.181 7.060 10.890 1.00 45.03 H new ATOM 1154 N VAL A 83 0.517 0.454 4.611 1.00 41.45 N ATOM 1155 CA VAL A 83 0.079 -0.762 3.940 1.00 30.53 C ATOM 1156 C VAL A 83 0.824 -1.932 4.573 1.00 34.21 C ATOM 1157 O VAL A 83 2.051 -1.986 4.462 1.00 43.25 O ATOM 1158 CB VAL A 83 0.325 -0.627 2.425 1.00 3.44 C ATOM 1159 CG1 VAL A 83 -0.153 -1.892 1.691 1.00 52.23 C ATOM 1160 CG2 VAL A 83 -0.378 0.591 1.805 1.00 30.13 C ATOM 0 H VAL A 83 1.508 0.446 4.851 1.00 41.45 H new ATOM 0 HA VAL A 83 -0.990 -0.937 4.061 1.00 30.53 H new ATOM 0 HB VAL A 83 1.400 -0.491 2.306 1.00 3.44 H new ATOM 0 HG11 VAL A 83 0.027 -1.782 0.622 1.00 52.23 H new ATOM 0 HG12 VAL A 83 0.394 -2.758 2.064 1.00 52.23 H new ATOM 0 HG13 VAL A 83 -1.219 -2.033 1.867 1.00 52.23 H new ATOM 0 HG21 VAL A 83 -0.165 0.629 0.737 1.00 30.13 H new ATOM 0 HG22 VAL A 83 -1.454 0.507 1.958 1.00 30.13 H new ATOM 0 HG23 VAL A 83 -0.014 1.502 2.280 1.00 30.13 H new ATOM 1170 N PHE A 84 0.097 -2.828 5.251 1.00 70.23 N ATOM 1171 CA PHE A 84 0.645 -4.044 5.837 1.00 45.01 C ATOM 1172 C PHE A 84 0.366 -5.203 4.881 1.00 32.14 C ATOM 1173 O PHE A 84 -0.704 -5.795 4.889 1.00 64.23 O ATOM 1174 CB PHE A 84 0.108 -4.291 7.261 1.00 13.34 C ATOM 1175 CG PHE A 84 0.464 -3.254 8.322 1.00 70.44 C ATOM 1176 CD1 PHE A 84 1.578 -2.407 8.177 1.00 32.52 C ATOM 1177 CD2 PHE A 84 -0.313 -3.147 9.490 1.00 25.24 C ATOM 1178 CE1 PHE A 84 1.858 -1.401 9.118 1.00 70.33 C ATOM 1179 CE2 PHE A 84 -0.026 -2.160 10.448 1.00 62.43 C ATOM 1180 CZ PHE A 84 1.045 -1.274 10.251 1.00 51.35 C ATOM 0 H PHE A 84 -0.905 -2.721 5.407 1.00 70.23 H new ATOM 0 HA PHE A 84 1.723 -3.944 5.961 1.00 45.01 H new ATOM 0 HB2 PHE A 84 -0.978 -4.362 7.206 1.00 13.34 H new ATOM 0 HB3 PHE A 84 0.474 -5.261 7.598 1.00 13.34 H new ATOM 0 HD1 PHE A 84 2.231 -2.532 7.326 1.00 32.52 H new ATOM 0 HD2 PHE A 84 -1.136 -3.828 9.651 1.00 25.24 H new ATOM 0 HE1 PHE A 84 2.693 -0.732 8.968 1.00 70.33 H new ATOM 0 HE2 PHE A 84 -0.631 -2.083 11.339 1.00 62.43 H new ATOM 0 HZ PHE A 84 1.242 -0.495 10.973 1.00 51.35 H new ATOM 1189 N ILE A 85 1.332 -5.502 4.019 1.00 21.22 N ATOM 1190 CA ILE A 85 1.426 -6.785 3.332 1.00 25.33 C ATOM 1191 C ILE A 85 1.894 -7.772 4.393 1.00 31.04 C ATOM 1192 O ILE A 85 3.020 -7.649 4.880 1.00 11.42 O ATOM 1193 CB ILE A 85 2.428 -6.755 2.152 1.00 32.12 C ATOM 1194 CG1 ILE A 85 2.098 -5.606 1.187 1.00 12.23 C ATOM 1195 CG2 ILE A 85 2.373 -8.098 1.396 1.00 43.21 C ATOM 1196 CD1 ILE A 85 3.126 -5.415 0.064 1.00 51.44 C ATOM 0 H ILE A 85 2.080 -4.853 3.775 1.00 21.22 H new ATOM 0 HA ILE A 85 0.465 -7.056 2.894 1.00 25.33 H new ATOM 0 HB ILE A 85 3.430 -6.596 2.550 1.00 32.12 H new ATOM 0 HG12 ILE A 85 1.120 -5.789 0.742 1.00 12.23 H new ATOM 0 HG13 ILE A 85 2.021 -4.679 1.756 1.00 12.23 H new ATOM 0 HG21 ILE A 85 3.078 -8.077 0.565 1.00 43.21 H new ATOM 0 HG22 ILE A 85 2.636 -8.909 2.075 1.00 43.21 H new ATOM 0 HG23 ILE A 85 1.365 -8.259 1.012 1.00 43.21 H new ATOM 0 HD11 ILE A 85 2.819 -4.585 -0.573 1.00 51.44 H new ATOM 0 HD12 ILE A 85 4.102 -5.199 0.497 1.00 51.44 H new ATOM 0 HD13 ILE A 85 3.187 -6.326 -0.532 1.00 51.44 H new ATOM 1207 N GLU A 86 1.046 -8.709 4.774 1.00 2.23 N ATOM 1208 CA GLU A 86 1.402 -9.856 5.593 1.00 2.34 C ATOM 1209 C GLU A 86 0.375 -10.938 5.300 1.00 73.33 C ATOM 1210 O GLU A 86 -0.573 -10.719 4.539 1.00 44.41 O ATOM 1211 CB GLU A 86 1.464 -9.509 7.088 1.00 1.43 C ATOM 1212 CG GLU A 86 0.135 -9.047 7.693 1.00 4.54 C ATOM 1213 CD GLU A 86 0.111 -9.229 9.210 1.00 14.21 C ATOM 1214 OE1 GLU A 86 1.128 -8.949 9.884 1.00 50.45 O ATOM 1215 OE2 GLU A 86 -0.965 -9.588 9.755 1.00 31.01 O ATOM 0 H GLU A 86 0.060 -8.694 4.515 1.00 2.23 H new ATOM 0 HA GLU A 86 2.406 -10.202 5.345 1.00 2.34 H new ATOM 0 HB2 GLU A 86 1.812 -10.384 7.636 1.00 1.43 H new ATOM 0 HB3 GLU A 86 2.207 -8.725 7.235 1.00 1.43 H new ATOM 0 HG2 GLU A 86 -0.030 -7.997 7.450 1.00 4.54 H new ATOM 0 HG3 GLU A 86 -0.684 -9.611 7.246 1.00 4.54 H new ATOM 1220 N LEU A 87 0.567 -12.115 5.879 1.00 41.55 N ATOM 1221 CA LEU A 87 -0.251 -13.267 5.595 1.00 25.20 C ATOM 1222 C LEU A 87 -1.098 -13.541 6.815 1.00 62.04 C ATOM 1223 O LEU A 87 -0.691 -13.250 7.942 1.00 24.00 O ATOM 1224 CB LEU A 87 0.600 -14.496 5.252 1.00 34.41 C ATOM 1225 CG LEU A 87 1.918 -14.258 4.495 1.00 22.02 C ATOM 1226 CD1 LEU A 87 1.702 -13.440 3.227 1.00 2.51 C ATOM 1227 CD2 LEU A 87 3.052 -13.868 5.452 1.00 72.13 C ATOM 0 H LEU A 87 1.303 -12.290 6.563 1.00 41.55 H new ATOM 0 HA LEU A 87 -0.876 -13.063 4.726 1.00 25.20 H new ATOM 0 HB2 LEU A 87 0.835 -15.013 6.182 1.00 34.41 H new ATOM 0 HB3 LEU A 87 -0.012 -15.174 4.657 1.00 34.41 H new ATOM 0 HG LEU A 87 2.298 -15.191 4.079 1.00 22.02 H new ATOM 0 HD11 LEU A 87 2.656 -13.294 2.721 1.00 2.51 H new ATOM 0 HD12 LEU A 87 1.018 -13.970 2.564 1.00 2.51 H new ATOM 0 HD13 LEU A 87 1.277 -12.471 3.487 1.00 2.51 H new ATOM 0 HD21 LEU A 87 3.968 -13.707 4.884 1.00 72.13 H new ATOM 0 HD22 LEU A 87 2.785 -12.951 5.978 1.00 72.13 H new ATOM 0 HD23 LEU A 87 3.209 -14.668 6.175 1.00 72.13 H new ATOM 1238 N ASP A 88 -2.230 -14.170 6.572 1.00 72.34 N ATOM 1239 CA ASP A 88 -3.175 -14.599 7.588 1.00 41.35 C ATOM 1240 C ASP A 88 -3.721 -15.949 7.125 1.00 45.53 C ATOM 1241 O ASP A 88 -3.624 -16.282 5.934 1.00 74.42 O ATOM 1242 CB ASP A 88 -4.296 -13.544 7.732 1.00 65.13 C ATOM 1243 CG ASP A 88 -4.903 -13.411 9.133 1.00 11.53 C ATOM 1244 OD1 ASP A 88 -4.258 -13.807 10.131 1.00 74.21 O ATOM 1245 OD2 ASP A 88 -5.996 -12.816 9.241 1.00 2.23 O ATOM 0 H ASP A 88 -2.530 -14.406 5.626 1.00 72.34 H new ATOM 0 HA ASP A 88 -2.710 -14.701 8.568 1.00 41.35 H new ATOM 0 HB2 ASP A 88 -3.898 -12.574 7.434 1.00 65.13 H new ATOM 0 HB3 ASP A 88 -5.094 -13.790 7.031 1.00 65.13 H new ATOM 1249 N GLU A 89 -4.325 -16.707 8.036 1.00 70.15 N ATOM 1250 CA GLU A 89 -5.018 -17.966 7.795 1.00 65.14 C ATOM 1251 C GLU A 89 -4.050 -19.088 7.405 1.00 4.50 C ATOM 1252 O GLU A 89 -3.792 -19.964 8.232 1.00 4.11 O ATOM 1253 CB GLU A 89 -6.195 -17.829 6.805 1.00 34.02 C ATOM 1254 CG GLU A 89 -7.131 -16.657 7.129 1.00 70.05 C ATOM 1255 CD GLU A 89 -8.349 -16.561 6.206 1.00 34.13 C ATOM 1256 OE1 GLU A 89 -8.757 -17.558 5.571 1.00 3.24 O ATOM 1257 OE2 GLU A 89 -8.963 -15.466 6.131 1.00 64.21 O ATOM 0 H GLU A 89 -4.344 -16.441 9.021 1.00 70.15 H new ATOM 0 HA GLU A 89 -5.467 -18.253 8.746 1.00 65.14 H new ATOM 0 HB2 GLU A 89 -5.799 -17.701 5.797 1.00 34.02 H new ATOM 0 HB3 GLU A 89 -6.770 -18.755 6.806 1.00 34.02 H new ATOM 0 HG2 GLU A 89 -7.475 -16.754 8.159 1.00 70.05 H new ATOM 0 HG3 GLU A 89 -6.567 -15.727 7.067 1.00 70.05 H new ATOM 1262 N ASN A 90 -3.540 -19.100 6.171 1.00 51.52 N ATOM 1263 CA ASN A 90 -2.820 -20.229 5.566 1.00 73.33 C ATOM 1264 C ASN A 90 -1.588 -19.734 4.800 1.00 62.32 C ATOM 1265 O ASN A 90 -1.287 -20.253 3.716 1.00 21.03 O ATOM 1266 CB ASN A 90 -3.714 -21.061 4.615 1.00 2.33 C ATOM 1267 CG ASN A 90 -5.122 -21.318 5.092 1.00 73.35 C ATOM 1268 OD1 ASN A 90 -5.410 -22.301 5.772 1.00 70.05 O ATOM 1269 ND2 ASN A 90 -6.025 -20.434 4.721 1.00 5.24 N ATOM 0 H ASN A 90 -3.618 -18.300 5.543 1.00 51.52 H new ATOM 0 HA ASN A 90 -2.512 -20.876 6.387 1.00 73.33 H new ATOM 0 HB2 ASN A 90 -3.764 -20.549 3.654 1.00 2.33 H new ATOM 0 HB3 ASN A 90 -3.229 -22.021 4.439 1.00 2.33 H new ATOM 0 HD21 ASN A 90 -6.999 -20.553 4.998 1.00 5.24 H new ATOM 0 HD22 ASN A 90 -5.750 -19.630 4.157 1.00 5.24 H new ATOM 1275 N ALA A 91 -0.902 -18.699 5.306 1.00 2.42 N ATOM 1276 CA ALA A 91 0.191 -18.024 4.613 1.00 44.25 C ATOM 1277 C ALA A 91 -0.287 -17.431 3.275 1.00 31.13 C ATOM 1278 O ALA A 91 0.494 -17.300 2.328 1.00 13.54 O ATOM 1279 CB ALA A 91 1.421 -18.941 4.495 1.00 1.51 C ATOM 0 H ALA A 91 -1.099 -18.305 6.226 1.00 2.42 H new ATOM 0 HA ALA A 91 0.520 -17.172 5.209 1.00 44.25 H new ATOM 0 HB1 ALA A 91 2.220 -18.413 3.975 1.00 1.51 H new ATOM 0 HB2 ALA A 91 1.761 -19.223 5.491 1.00 1.51 H new ATOM 0 HB3 ALA A 91 1.154 -19.837 3.935 1.00 1.51 H new ATOM 1285 N ASP A 92 -1.584 -17.113 3.184 1.00 3.51 N ATOM 1286 CA ASP A 92 -2.213 -16.562 1.993 1.00 50.32 C ATOM 1287 C ASP A 92 -1.816 -15.095 1.898 1.00 65.14 C ATOM 1288 O ASP A 92 -1.981 -14.355 2.871 1.00 13.11 O ATOM 1289 CB ASP A 92 -3.741 -16.679 2.031 1.00 4.14 C ATOM 1290 CG ASP A 92 -4.276 -18.096 2.245 1.00 33.22 C ATOM 1291 OD1 ASP A 92 -3.836 -19.033 1.534 1.00 73.42 O ATOM 1292 OD2 ASP A 92 -5.154 -18.275 3.116 1.00 11.44 O ATOM 0 H ASP A 92 -2.235 -17.237 3.959 1.00 3.51 H new ATOM 0 HA ASP A 92 -1.875 -17.127 1.125 1.00 50.32 H new ATOM 0 HB2 ASP A 92 -4.120 -16.040 2.829 1.00 4.14 H new ATOM 0 HB3 ASP A 92 -4.143 -16.293 1.095 1.00 4.14 H new ATOM 1296 N VAL A 93 -1.278 -14.679 0.753 1.00 54.34 N ATOM 1297 CA VAL A 93 -0.841 -13.301 0.552 1.00 32.21 C ATOM 1298 C VAL A 93 -2.047 -12.406 0.346 1.00 51.23 C ATOM 1299 O VAL A 93 -2.575 -12.289 -0.765 1.00 22.43 O ATOM 1300 CB VAL A 93 0.215 -13.127 -0.549 1.00 51.25 C ATOM 1301 CG1 VAL A 93 0.924 -11.783 -0.331 1.00 51.33 C ATOM 1302 CG2 VAL A 93 1.252 -14.251 -0.532 1.00 34.41 C ATOM 0 H VAL A 93 -1.134 -15.284 -0.056 1.00 54.34 H new ATOM 0 HA VAL A 93 -0.323 -12.995 1.461 1.00 32.21 H new ATOM 0 HB VAL A 93 -0.287 -13.157 -1.516 1.00 51.25 H new ATOM 0 HG11 VAL A 93 1.679 -11.640 -1.104 1.00 51.33 H new ATOM 0 HG12 VAL A 93 0.195 -10.974 -0.382 1.00 51.33 H new ATOM 0 HG13 VAL A 93 1.402 -11.779 0.648 1.00 51.33 H new ATOM 0 HG21 VAL A 93 1.979 -14.087 -1.327 1.00 34.41 H new ATOM 0 HG22 VAL A 93 1.763 -14.260 0.431 1.00 34.41 H new ATOM 0 HG23 VAL A 93 0.754 -15.208 -0.687 1.00 34.41 H new ATOM 1312 N GLN A 94 -2.433 -11.765 1.435 1.00 53.34 N ATOM 1313 CA GLN A 94 -3.491 -10.776 1.483 1.00 14.41 C ATOM 1314 C GLN A 94 -2.854 -9.425 1.804 1.00 74.12 C ATOM 1315 O GLN A 94 -1.622 -9.301 1.807 1.00 50.25 O ATOM 1316 CB GLN A 94 -4.587 -11.275 2.438 1.00 65.31 C ATOM 1317 CG GLN A 94 -4.142 -11.545 3.881 1.00 70.15 C ATOM 1318 CD GLN A 94 -4.928 -12.716 4.450 1.00 24.30 C ATOM 1319 OE1 GLN A 94 -6.040 -12.559 4.946 1.00 32.13 O ATOM 1320 NE2 GLN A 94 -4.389 -13.919 4.334 1.00 14.40 N ATOM 0 H GLN A 94 -2.000 -11.927 2.344 1.00 53.34 H new ATOM 0 HA GLN A 94 -4.007 -10.630 0.534 1.00 14.41 H new ATOM 0 HB2 GLN A 94 -5.389 -10.538 2.457 1.00 65.31 H new ATOM 0 HB3 GLN A 94 -5.008 -12.194 2.030 1.00 65.31 H new ATOM 0 HG2 GLN A 94 -3.075 -11.764 3.907 1.00 70.15 H new ATOM 0 HG3 GLN A 94 -4.300 -10.657 4.493 1.00 70.15 H new ATOM 0 HE21 GLN A 94 -3.464 -14.025 3.918 1.00 14.40 H new ATOM 0 HE22 GLN A 94 -4.899 -14.740 4.660 1.00 14.40 H new ATOM 1327 N VAL A 95 -3.669 -8.393 1.997 1.00 43.43 N ATOM 1328 CA VAL A 95 -3.190 -7.081 2.370 1.00 51.25 C ATOM 1329 C VAL A 95 -4.091 -6.602 3.491 1.00 34.30 C ATOM 1330 O VAL A 95 -5.306 -6.806 3.485 1.00 70.21 O ATOM 1331 CB VAL A 95 -3.178 -6.130 1.155 1.00 10.40 C ATOM 1332 CG1 VAL A 95 -2.618 -4.743 1.525 1.00 24.40 C ATOM 1333 CG2 VAL A 95 -2.318 -6.681 0.001 1.00 63.21 C ATOM 0 H VAL A 95 -4.682 -8.451 1.897 1.00 43.43 H new ATOM 0 HA VAL A 95 -2.156 -7.109 2.715 1.00 51.25 H new ATOM 0 HB VAL A 95 -4.217 -6.046 0.838 1.00 10.40 H new ATOM 0 HG11 VAL A 95 -2.625 -4.101 0.644 1.00 24.40 H new ATOM 0 HG12 VAL A 95 -3.236 -4.297 2.304 1.00 24.40 H new ATOM 0 HG13 VAL A 95 -1.596 -4.848 1.889 1.00 24.40 H new ATOM 0 HG21 VAL A 95 -2.337 -5.980 -0.834 1.00 63.21 H new ATOM 0 HG22 VAL A 95 -1.291 -6.811 0.342 1.00 63.21 H new ATOM 0 HG23 VAL A 95 -2.717 -7.642 -0.323 1.00 63.21 H new ATOM 1343 N PHE A 96 -3.477 -5.881 4.411 1.00 22.34 N ATOM 1344 CA PHE A 96 -4.070 -5.286 5.576 1.00 12.14 C ATOM 1345 C PHE A 96 -3.568 -3.856 5.691 1.00 61.31 C ATOM 1346 O PHE A 96 -2.631 -3.440 5.000 1.00 42.41 O ATOM 1347 CB PHE A 96 -3.618 -6.126 6.769 1.00 63.34 C ATOM 1348 CG PHE A 96 -4.428 -5.841 8.003 1.00 54.12 C ATOM 1349 CD1 PHE A 96 -5.747 -6.318 8.074 1.00 24.32 C ATOM 1350 CD2 PHE A 96 -3.908 -5.030 9.024 1.00 63.54 C ATOM 1351 CE1 PHE A 96 -6.551 -5.964 9.169 1.00 4.44 C ATOM 1352 CE2 PHE A 96 -4.707 -4.686 10.124 1.00 43.24 C ATOM 1353 CZ PHE A 96 -6.030 -5.148 10.188 1.00 21.20 C ATOM 0 H PHE A 96 -2.477 -5.687 4.351 1.00 22.34 H new ATOM 0 HA PHE A 96 -5.159 -5.262 5.528 1.00 12.14 H new ATOM 0 HB2 PHE A 96 -3.700 -7.184 6.519 1.00 63.34 H new ATOM 0 HB3 PHE A 96 -2.566 -5.928 6.973 1.00 63.34 H new ATOM 0 HD1 PHE A 96 -6.140 -6.952 7.293 1.00 24.32 H new ATOM 0 HD2 PHE A 96 -2.891 -4.671 8.962 1.00 63.54 H new ATOM 0 HE1 PHE A 96 -7.569 -6.318 9.228 1.00 4.44 H new ATOM 0 HE2 PHE A 96 -4.307 -4.070 10.916 1.00 43.24 H new ATOM 0 HZ PHE A 96 -6.653 -4.875 11.027 1.00 21.20 H new ATOM 1362 N ILE A 97 -4.170 -3.081 6.584 1.00 45.45 N ATOM 1363 CA ILE A 97 -3.785 -1.705 6.822 1.00 25.14 C ATOM 1364 C ILE A 97 -4.033 -1.362 8.279 1.00 23.22 C ATOM 1365 O ILE A 97 -5.048 -1.775 8.835 1.00 11.31 O ATOM 1366 CB ILE A 97 -4.587 -0.765 5.893 1.00 25.33 C ATOM 1367 CG1 ILE A 97 -6.062 -1.179 5.697 1.00 32.24 C ATOM 1368 CG2 ILE A 97 -3.906 -0.688 4.530 1.00 61.35 C ATOM 1369 CD1 ILE A 97 -6.831 -0.159 4.861 1.00 23.43 C ATOM 0 H ILE A 97 -4.946 -3.397 7.166 1.00 45.45 H new ATOM 0 HA ILE A 97 -2.725 -1.576 6.604 1.00 25.14 H new ATOM 0 HB ILE A 97 -4.599 0.207 6.387 1.00 25.33 H new ATOM 0 HG12 ILE A 97 -6.104 -2.154 5.211 1.00 32.24 H new ATOM 0 HG13 ILE A 97 -6.542 -1.287 6.670 1.00 32.24 H new ATOM 0 HG21 ILE A 97 -4.473 -0.025 3.877 1.00 61.35 H new ATOM 0 HG22 ILE A 97 -2.894 -0.301 4.650 1.00 61.35 H new ATOM 0 HG23 ILE A 97 -3.863 -1.683 4.088 1.00 61.35 H new ATOM 0 HD11 ILE A 97 -7.864 -0.487 4.746 1.00 23.43 H new ATOM 0 HD12 ILE A 97 -6.811 0.810 5.360 1.00 23.43 H new ATOM 0 HD13 ILE A 97 -6.367 -0.070 3.878 1.00 23.43 H new ATOM 1380 N PRO A 98 -3.173 -0.533 8.895 1.00 21.31 N ATOM 1381 CA PRO A 98 -3.543 0.086 10.149 1.00 50.15 C ATOM 1382 C PRO A 98 -4.665 1.098 9.861 1.00 42.44 C ATOM 1383 O PRO A 98 -4.472 2.041 9.080 1.00 23.53 O ATOM 1384 CB PRO A 98 -2.254 0.693 10.699 1.00 25.13 C ATOM 1385 CG PRO A 98 -1.449 1.021 9.444 1.00 11.34 C ATOM 1386 CD PRO A 98 -1.886 -0.028 8.414 1.00 1.04 C ATOM 0 HA PRO A 98 -3.944 -0.594 10.901 1.00 50.15 H new ATOM 0 HB2 PRO A 98 -2.452 1.585 11.293 1.00 25.13 H new ATOM 0 HB3 PRO A 98 -1.724 -0.008 11.344 1.00 25.13 H new ATOM 0 HG2 PRO A 98 -1.658 2.031 9.093 1.00 11.34 H new ATOM 0 HG3 PRO A 98 -0.377 0.965 9.635 1.00 11.34 H new ATOM 0 HD2 PRO A 98 -1.983 0.412 7.422 1.00 1.04 H new ATOM 0 HD3 PRO A 98 -1.153 -0.831 8.336 1.00 1.04 H new ATOM 1391 N GLN A 99 -5.847 0.851 10.425 1.00 63.25 N ATOM 1392 CA GLN A 99 -7.056 1.671 10.412 1.00 13.24 C ATOM 1393 C GLN A 99 -7.653 1.635 11.833 1.00 1.12 C ATOM 1394 O GLN A 99 -6.970 1.227 12.783 1.00 41.44 O ATOM 1395 CB GLN A 99 -8.023 1.134 9.337 1.00 62.22 C ATOM 1396 CG GLN A 99 -7.635 1.507 7.901 1.00 65.13 C ATOM 1397 CD GLN A 99 -7.613 3.019 7.659 1.00 4.20 C ATOM 1398 OE1 GLN A 99 -8.641 3.681 7.577 1.00 24.31 O ATOM 1399 NE2 GLN A 99 -6.437 3.609 7.555 1.00 21.33 N ATOM 0 H GLN A 99 -5.995 -0.010 10.952 1.00 63.25 H new ATOM 0 HA GLN A 99 -6.848 2.709 10.152 1.00 13.24 H new ATOM 0 HB2 GLN A 99 -8.072 0.048 9.418 1.00 62.22 H new ATOM 0 HB3 GLN A 99 -9.024 1.514 9.542 1.00 62.22 H new ATOM 0 HG2 GLN A 99 -6.651 1.095 7.678 1.00 65.13 H new ATOM 0 HG3 GLN A 99 -8.339 1.044 7.209 1.00 65.13 H new ATOM 0 HE21 GLN A 99 -5.582 3.057 7.623 1.00 21.33 H new ATOM 0 HE22 GLN A 99 -6.383 4.617 7.406 1.00 21.33 H new