USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.0134 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.1 K(o=2.3,f=-3.5!) USER MOD Set 2.2: A 90 THR OG1 : rot -70:sc= 1.22 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= 2.73 K(o=3.9,f=-6.2!) USER MOD Single : A 6 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 8 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.24) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Single : A 13 THR OG1 : rot -140:sc= -0.0466 USER MOD Single : A 14 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.17) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 SER OG : rot -88:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot -99:sc= 0.765 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0269 F(o=-0.94,f=-0.027) USER MOD Single : A 30 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.63) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -58:sc= 1.23 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0.701 (180deg=0.164) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 49:sc= 0.0285 USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 60 THR OG1 : rot 106:sc= 0.528 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -144:sc= 1.28 USER MOD Single : A 70 ASN : amide:sc= 0.961 K(o=0.96,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot -70:sc= 1.14 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 2.42 (180deg=1.85) USER MOD Single : A 78 TYR OH : rot -23:sc= -4.45! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -125:sc= 1.31 (180deg=-0.202) USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.537) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -2.68! C(o=-3.4!,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 2.33 (180deg=2.24) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.629 F(o=-1.5!,f=-0.63) USER MOD Single : A 94 GLN : amide:sc= -2.07 K(o=-2.1,f=-3.5!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.0526 F(o=-1.5!,f=-0.053) USER MOD Single : A 104 SER OG : rot 10:sc= 0.628 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.036 11.185 0.097 1.00 0.48 N ATOM 38 CA ASP A 3 -7.172 10.651 -0.630 1.00 0.44 C ATOM 39 C ASP A 3 -6.758 9.428 -1.434 1.00 0.32 C ATOM 40 O ASP A 3 -5.617 8.972 -1.338 1.00 0.32 O ATOM 41 CB ASP A 3 -7.776 11.711 -1.560 1.00 0.55 C ATOM 42 CG ASP A 3 -6.776 12.321 -2.532 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.721 11.690 -2.758 1.00 1.97 O ATOM 44 OD2 ASP A 3 -7.030 13.423 -3.071 1.00 1.67 O ATOM 0 HA ASP A 3 -7.930 10.359 0.096 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.591 11.261 -2.127 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.211 12.506 -0.954 1.00 0.55 H new ATOM 49 N TRP A 4 -7.685 8.922 -2.233 1.00 0.32 N ATOM 50 CA TRP A 4 -7.452 7.739 -3.050 1.00 0.27 C ATOM 51 C TRP A 4 -6.302 7.955 -4.035 1.00 0.24 C ATOM 52 O TRP A 4 -5.500 7.052 -4.276 1.00 0.25 O ATOM 53 CB TRP A 4 -8.739 7.375 -3.795 1.00 0.29 C ATOM 54 CG TRP A 4 -8.579 6.270 -4.790 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.878 6.323 -6.119 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.076 4.950 -4.544 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.596 5.121 -6.712 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.101 4.263 -5.767 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.607 4.285 -3.408 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.677 2.945 -5.888 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.187 2.976 -3.531 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.224 2.318 -4.761 1.00 0.22 C ATOM 0 H TRP A 4 -8.619 9.319 -2.334 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.166 6.916 -2.395 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.498 7.087 -3.067 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.111 8.261 -4.309 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.279 7.186 -6.630 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.733 4.901 -7.698 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.574 4.786 -2.452 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.704 2.434 -6.839 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.823 2.452 -2.660 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.888 1.293 -4.824 1.00 0.22 H new ATOM 73 N LEU A 5 -6.217 9.156 -4.591 1.00 0.28 N ATOM 74 CA LEU A 5 -5.180 9.475 -5.567 1.00 0.32 C ATOM 75 C LEU A 5 -3.805 9.400 -4.915 1.00 0.32 C ATOM 76 O LEU A 5 -2.849 8.881 -5.494 1.00 0.35 O ATOM 77 CB LEU A 5 -5.399 10.873 -6.166 1.00 0.42 C ATOM 78 CG LEU A 5 -6.698 11.076 -6.960 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.897 9.959 -7.970 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.902 11.185 -6.034 1.00 0.84 C ATOM 0 H LEU A 5 -6.853 9.926 -4.384 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.236 8.743 -6.373 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.376 11.600 -5.355 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.558 11.100 -6.821 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.608 12.016 -7.504 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.824 10.126 -8.519 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -6.059 9.945 -8.667 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.951 9.003 -7.449 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.805 11.328 -6.627 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.994 10.271 -5.448 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.770 12.034 -5.364 1.00 0.84 H new ATOM 92 N THR A 6 -3.723 9.909 -3.698 1.00 0.34 N ATOM 93 CA THR A 6 -2.488 9.892 -2.934 1.00 0.40 C ATOM 94 C THR A 6 -2.175 8.478 -2.438 1.00 0.35 C ATOM 95 O THR A 6 -1.022 8.035 -2.454 1.00 0.37 O ATOM 96 CB THR A 6 -2.596 10.852 -1.737 1.00 0.52 C ATOM 97 OG1 THR A 6 -3.103 12.117 -2.185 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.244 11.050 -1.066 1.00 0.61 C ATOM 0 H THR A 6 -4.508 10.344 -3.213 1.00 0.34 H new ATOM 0 HA THR A 6 -1.678 10.218 -3.586 1.00 0.40 H new ATOM 0 HB THR A 6 -3.277 10.416 -1.006 1.00 0.52 H new ATOM 0 HG1 THR A 6 -4.074 12.057 -2.304 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.352 11.733 -0.224 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.871 10.090 -0.709 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.539 11.469 -1.784 1.00 0.61 H new ATOM 106 N PHE A 7 -3.219 7.774 -2.014 1.00 0.29 N ATOM 107 CA PHE A 7 -3.096 6.408 -1.524 1.00 0.26 C ATOM 108 C PHE A 7 -2.541 5.500 -2.615 1.00 0.23 C ATOM 109 O PHE A 7 -1.656 4.680 -2.360 1.00 0.24 O ATOM 110 CB PHE A 7 -4.468 5.900 -1.068 1.00 0.24 C ATOM 111 CG PHE A 7 -4.451 4.533 -0.439 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.461 3.401 -1.232 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.417 4.382 0.939 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.442 2.141 -0.666 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.397 3.126 1.511 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.429 2.014 0.732 1.00 0.27 C ATOM 0 H PHE A 7 -4.173 8.135 -2.001 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.407 6.396 -0.679 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.885 6.610 -0.353 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.138 5.882 -1.927 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.484 3.503 -2.307 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.406 5.257 1.572 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.437 1.262 -1.293 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.356 3.027 2.586 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.444 1.035 1.187 1.00 0.27 H new ATOM 126 N GLN A 8 -3.071 5.660 -3.823 1.00 0.23 N ATOM 127 CA GLN A 8 -2.652 4.874 -4.972 1.00 0.24 C ATOM 128 C GLN A 8 -1.149 4.889 -5.155 1.00 0.24 C ATOM 129 O GLN A 8 -0.505 3.846 -5.127 1.00 0.25 O ATOM 130 CB GLN A 8 -3.280 5.425 -6.234 1.00 0.27 C ATOM 131 CG GLN A 8 -4.653 4.868 -6.544 1.00 0.27 C ATOM 132 CD GLN A 8 -5.210 5.419 -7.839 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.003 4.850 -8.908 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.908 6.539 -7.755 1.00 0.45 N ATOM 0 H GLN A 8 -3.803 6.339 -4.030 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.976 3.850 -4.788 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.352 6.509 -6.146 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.619 5.217 -7.075 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.598 3.781 -6.607 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.334 5.106 -5.726 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.057 6.980 -6.847 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.297 6.962 -8.598 1.00 0.45 H new ATOM 143 N LYS A 9 -0.606 6.084 -5.342 1.00 0.26 N ATOM 144 CA LYS A 9 0.813 6.268 -5.620 1.00 0.29 C ATOM 145 C LYS A 9 1.671 5.505 -4.621 1.00 0.29 C ATOM 146 O LYS A 9 2.700 4.922 -4.970 1.00 0.33 O ATOM 147 CB LYS A 9 1.158 7.751 -5.527 1.00 0.32 C ATOM 148 CG LYS A 9 0.341 8.643 -6.442 1.00 0.33 C ATOM 149 CD LYS A 9 0.500 10.098 -6.045 1.00 0.67 C ATOM 150 CE LYS A 9 -0.216 11.028 -7.006 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.049 12.451 -6.612 1.00 1.88 N ATOM 0 H LYS A 9 -1.137 6.954 -5.305 1.00 0.26 H new ATOM 0 HA LYS A 9 1.015 5.888 -6.621 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.017 8.081 -4.498 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.215 7.881 -5.761 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.661 8.505 -7.475 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.710 8.359 -6.393 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.108 10.245 -5.038 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.559 10.352 -6.015 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.172 10.880 -8.014 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -1.277 10.779 -7.033 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.551 13.060 -7.290 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -0.441 12.596 -5.660 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.962 12.694 -6.610 1.00 1.88 H new ATOM 165 N LYS A 10 1.226 5.514 -3.380 1.00 0.28 N ATOM 166 CA LYS A 10 2.030 5.011 -2.277 1.00 0.30 C ATOM 167 C LYS A 10 1.801 3.534 -1.967 1.00 0.26 C ATOM 168 O LYS A 10 2.623 2.915 -1.291 1.00 0.29 O ATOM 169 CB LYS A 10 1.787 5.859 -1.030 1.00 0.38 C ATOM 170 CG LYS A 10 2.294 7.284 -1.181 1.00 0.63 C ATOM 171 CD LYS A 10 2.178 8.067 0.115 1.00 0.73 C ATOM 172 CE LYS A 10 0.737 8.383 0.465 1.00 1.10 C ATOM 173 NZ LYS A 10 0.645 9.179 1.715 1.00 1.34 N ATOM 0 H LYS A 10 0.308 5.865 -3.107 1.00 0.28 H new ATOM 0 HA LYS A 10 3.070 5.091 -2.592 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.719 5.879 -0.812 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.278 5.392 -0.177 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.335 7.267 -1.503 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.727 7.790 -1.963 1.00 0.63 H new ATOM 0 HD2 LYS A 10 2.630 7.495 0.925 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.741 8.996 0.028 1.00 0.73 H new ATOM 0 HE2 LYS A 10 0.275 8.934 -0.354 1.00 1.10 H new ATOM 0 HE3 LYS A 10 0.177 7.455 0.581 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 -0.353 9.379 1.927 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 1.065 8.642 2.500 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 1.159 10.075 1.595 1.00 1.34 H new ATOM 187 N HIS A 11 0.701 2.957 -2.429 1.00 0.25 N ATOM 188 CA HIS A 11 0.395 1.577 -2.053 1.00 0.24 C ATOM 189 C HIS A 11 0.026 0.704 -3.242 1.00 0.23 C ATOM 190 O HIS A 11 0.004 -0.514 -3.123 1.00 0.26 O ATOM 191 CB HIS A 11 -0.725 1.529 -1.007 1.00 0.26 C ATOM 192 CG HIS A 11 -0.337 2.114 0.315 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.555 1.511 1.178 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.715 3.266 0.915 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.703 2.266 2.250 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.056 3.337 2.116 1.00 0.37 N ATOM 0 H HIS A 11 0.022 3.403 -3.046 1.00 0.25 H new ATOM 0 HA HIS A 11 1.312 1.171 -1.625 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.593 2.065 -1.391 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -1.030 0.493 -0.861 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.026 0.621 1.013 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.408 3.995 0.521 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.338 2.045 3.095 1.00 0.34 H new ATOM 205 N ILE A 12 -0.245 1.305 -4.383 1.00 0.23 N ATOM 206 CA ILE A 12 -0.640 0.539 -5.553 1.00 0.24 C ATOM 207 C ILE A 12 0.550 0.363 -6.487 1.00 0.23 C ATOM 208 O ILE A 12 0.965 1.306 -7.166 1.00 0.30 O ATOM 209 CB ILE A 12 -1.805 1.220 -6.316 1.00 0.28 C ATOM 210 CG1 ILE A 12 -3.009 1.420 -5.392 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.212 0.404 -7.536 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.551 0.138 -4.798 1.00 0.48 C ATOM 0 H ILE A 12 -0.200 2.314 -4.527 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.986 -0.436 -5.209 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.456 2.195 -6.656 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.724 2.091 -4.582 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.804 1.914 -5.951 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -3.031 0.905 -8.052 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.361 0.310 -8.211 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.535 -0.588 -7.219 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.402 0.366 -4.156 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.869 -0.528 -5.600 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.773 -0.348 -4.210 1.00 0.48 H new ATOM 224 N THR A 13 1.116 -0.836 -6.496 1.00 0.20 N ATOM 225 CA THR A 13 2.217 -1.140 -7.389 1.00 0.21 C ATOM 226 C THR A 13 1.808 -2.245 -8.355 1.00 0.22 C ATOM 227 O THR A 13 0.956 -3.082 -8.047 1.00 0.24 O ATOM 228 CB THR A 13 3.509 -1.546 -6.631 1.00 0.21 C ATOM 229 OG1 THR A 13 4.608 -1.626 -7.549 1.00 0.30 O ATOM 230 CG2 THR A 13 3.353 -2.884 -5.924 1.00 0.21 C ATOM 0 H THR A 13 0.830 -1.609 -5.896 1.00 0.20 H new ATOM 0 HA THR A 13 2.446 -0.228 -7.941 1.00 0.21 H new ATOM 0 HB THR A 13 3.700 -0.782 -5.878 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.167 -2.399 -7.323 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.279 -3.132 -5.406 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.539 -2.821 -5.202 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.129 -3.659 -6.657 1.00 0.21 H new ATOM 238 N ASN A 14 2.418 -2.239 -9.525 1.00 0.28 N ATOM 239 CA ASN A 14 2.085 -3.189 -10.576 1.00 0.33 C ATOM 240 C ASN A 14 3.209 -4.196 -10.763 1.00 0.32 C ATOM 241 O ASN A 14 3.266 -4.904 -11.769 1.00 0.36 O ATOM 242 CB ASN A 14 1.822 -2.444 -11.887 1.00 0.46 C ATOM 243 CG ASN A 14 2.956 -1.506 -12.259 1.00 1.36 C ATOM 244 OD1 ASN A 14 2.971 -0.344 -11.850 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.910 -1.996 -13.033 1.00 2.08 N ATOM 0 H ASN A 14 3.155 -1.580 -9.776 1.00 0.28 H new ATOM 0 HA ASN A 14 1.184 -3.729 -10.285 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.675 -3.167 -12.689 1.00 0.46 H new ATOM 0 HB3 ASN A 14 0.897 -1.874 -11.798 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.694 -1.406 -13.312 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.862 -2.964 -13.351 1.00 2.08 H new ATOM 252 N THR A 15 4.088 -4.267 -9.779 1.00 0.33 N ATOM 253 CA THR A 15 5.211 -5.181 -9.829 1.00 0.36 C ATOM 254 C THR A 15 5.438 -5.809 -8.454 1.00 0.33 C ATOM 255 O THR A 15 5.271 -5.150 -7.427 1.00 0.36 O ATOM 256 CB THR A 15 6.490 -4.459 -10.320 1.00 0.42 C ATOM 257 OG1 THR A 15 7.575 -5.385 -10.453 1.00 0.48 O ATOM 258 CG2 THR A 15 6.895 -3.336 -9.376 1.00 0.43 C ATOM 0 H THR A 15 4.044 -3.699 -8.933 1.00 0.33 H new ATOM 0 HA THR A 15 4.981 -5.973 -10.541 1.00 0.36 H new ATOM 0 HB THR A 15 6.262 -4.027 -11.294 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.373 -4.911 -10.766 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.796 -2.852 -9.752 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.089 -2.605 -9.314 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.090 -3.746 -8.385 1.00 0.43 H new ATOM 266 N ARG A 16 5.781 -7.092 -8.437 1.00 0.32 N ATOM 267 CA ARG A 16 6.056 -7.793 -7.189 1.00 0.31 C ATOM 268 C ARG A 16 7.386 -7.335 -6.616 1.00 0.33 C ATOM 269 O ARG A 16 7.541 -7.184 -5.404 1.00 0.45 O ATOM 270 CB ARG A 16 6.071 -9.307 -7.412 1.00 0.36 C ATOM 271 CG ARG A 16 4.692 -9.897 -7.634 1.00 0.45 C ATOM 272 CD ARG A 16 3.866 -9.860 -6.359 1.00 0.38 C ATOM 273 NE ARG A 16 4.362 -10.798 -5.352 1.00 0.32 N ATOM 274 CZ ARG A 16 4.382 -10.557 -4.042 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.032 -9.367 -3.571 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.778 -11.505 -3.202 1.00 0.51 N ATOM 0 H ARG A 16 5.875 -7.668 -9.274 1.00 0.32 H new ATOM 0 HA ARG A 16 5.264 -7.558 -6.479 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.698 -9.533 -8.274 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.530 -9.789 -6.549 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.178 -9.342 -8.419 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.785 -10.926 -7.980 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.878 -8.850 -5.949 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.828 -10.096 -6.593 1.00 0.38 H new ATOM 0 HE ARG A 16 4.717 -11.698 -5.675 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.745 -8.629 -4.213 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.050 -9.191 -2.567 1.00 0.49 H new ATOM 0 HH21 ARG A 16 5.066 -12.416 -3.560 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.794 -11.323 -2.199 1.00 0.51 H new ATOM 290 N ASP A 17 8.340 -7.112 -7.501 1.00 0.37 N ATOM 291 CA ASP A 17 9.641 -6.619 -7.117 1.00 0.42 C ATOM 292 C ASP A 17 9.701 -5.110 -7.281 1.00 0.36 C ATOM 293 O ASP A 17 10.333 -4.607 -8.211 1.00 0.46 O ATOM 294 CB ASP A 17 10.725 -7.279 -7.968 1.00 0.60 C ATOM 295 CG ASP A 17 10.934 -8.739 -7.631 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.187 -9.590 -8.155 1.00 1.94 O ATOM 297 OD2 ASP A 17 11.852 -9.052 -6.841 1.00 1.40 O ATOM 0 H ASP A 17 8.231 -7.268 -8.503 1.00 0.37 H new ATOM 0 HA ASP A 17 9.813 -6.866 -6.069 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.457 -7.190 -9.021 1.00 0.60 H new ATOM 0 HB3 ASP A 17 11.664 -6.742 -7.831 1.00 0.60 H new ATOM 302 N VAL A 18 9.007 -4.388 -6.409 1.00 0.31 N ATOM 303 CA VAL A 18 9.050 -2.933 -6.441 1.00 0.29 C ATOM 304 C VAL A 18 10.420 -2.445 -5.976 1.00 0.29 C ATOM 305 O VAL A 18 10.943 -2.911 -4.963 1.00 0.35 O ATOM 306 CB VAL A 18 7.924 -2.278 -5.592 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.850 -2.855 -4.185 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.116 -0.768 -5.532 1.00 0.58 C ATOM 0 H VAL A 18 8.414 -4.782 -5.679 1.00 0.31 H new ATOM 0 HA VAL A 18 8.880 -2.627 -7.473 1.00 0.29 H new ATOM 0 HB VAL A 18 6.978 -2.503 -6.085 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.048 -2.365 -3.632 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.651 -3.925 -4.241 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.798 -2.689 -3.673 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.320 -0.324 -4.934 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.081 -0.542 -5.078 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.085 -0.357 -6.541 1.00 0.58 H new ATOM 318 N ASP A 19 11.010 -1.526 -6.733 1.00 0.34 N ATOM 319 CA ASP A 19 12.344 -1.033 -6.416 1.00 0.41 C ATOM 320 C ASP A 19 12.279 0.011 -5.312 1.00 0.39 C ATOM 321 O ASP A 19 12.248 1.215 -5.575 1.00 0.46 O ATOM 322 CB ASP A 19 13.023 -0.459 -7.663 1.00 0.58 C ATOM 323 CG ASP A 19 14.459 -0.038 -7.415 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.054 -0.476 -6.406 1.00 1.28 O ATOM 325 OD2 ASP A 19 15.007 0.720 -8.237 1.00 1.91 O ATOM 0 H ASP A 19 10.589 -1.111 -7.564 1.00 0.34 H new ATOM 0 HA ASP A 19 12.942 -1.872 -6.061 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.001 -1.205 -8.458 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.454 0.401 -8.017 1.00 0.58 H new ATOM 330 N CYS A 20 12.223 -0.473 -4.079 1.00 0.38 N ATOM 331 CA CYS A 20 12.071 0.373 -2.902 1.00 0.40 C ATOM 332 C CYS A 20 13.096 1.503 -2.867 1.00 0.38 C ATOM 333 O CYS A 20 12.746 2.652 -2.611 1.00 0.39 O ATOM 334 CB CYS A 20 12.208 -0.468 -1.638 1.00 0.51 C ATOM 335 SG CYS A 20 11.330 -2.064 -1.709 1.00 0.93 S ATOM 0 H CYS A 20 12.282 -1.469 -3.865 1.00 0.38 H new ATOM 0 HA CYS A 20 11.079 0.822 -2.953 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.266 -0.655 -1.451 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.831 0.105 -0.791 1.00 0.51 H new ATOM 340 N ASP A 21 14.353 1.167 -3.133 1.00 0.47 N ATOM 341 CA ASP A 21 15.454 2.135 -3.064 1.00 0.59 C ATOM 342 C ASP A 21 15.190 3.350 -3.949 1.00 0.53 C ATOM 343 O ASP A 21 15.533 4.476 -3.594 1.00 0.64 O ATOM 344 CB ASP A 21 16.782 1.488 -3.475 1.00 0.85 C ATOM 345 CG ASP A 21 17.340 0.526 -2.440 1.00 1.36 C ATOM 346 OD1 ASP A 21 16.722 0.352 -1.369 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.412 -0.065 -2.695 1.00 1.66 O ATOM 0 H ASP A 21 14.642 0.226 -3.401 1.00 0.47 H new ATOM 0 HA ASP A 21 15.520 2.466 -2.027 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.640 0.954 -4.415 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.516 2.272 -3.661 1.00 0.85 H new ATOM 352 N ASN A 22 14.577 3.117 -5.099 1.00 0.50 N ATOM 353 CA ASN A 22 14.292 4.191 -6.048 1.00 0.49 C ATOM 354 C ASN A 22 12.938 4.812 -5.770 1.00 0.42 C ATOM 355 O ASN A 22 12.785 6.032 -5.772 1.00 0.43 O ATOM 356 CB ASN A 22 14.323 3.641 -7.471 1.00 0.59 C ATOM 357 CG ASN A 22 14.086 4.695 -8.539 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.388 5.876 -8.355 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.557 4.267 -9.674 1.00 1.14 N ATOM 0 H ASN A 22 14.266 2.194 -5.401 1.00 0.50 H new ATOM 0 HA ASN A 22 15.054 4.962 -5.936 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.289 3.169 -7.647 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.566 2.863 -7.567 1.00 0.59 H new ATOM 0 HD21 ASN A 22 13.385 4.923 -10.436 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.321 3.281 -9.787 1.00 1.14 H new ATOM 366 N ILE A 23 11.960 3.961 -5.542 1.00 0.40 N ATOM 367 CA ILE A 23 10.605 4.410 -5.264 1.00 0.38 C ATOM 368 C ILE A 23 10.549 5.272 -4.006 1.00 0.33 C ATOM 369 O ILE A 23 10.000 6.370 -4.025 1.00 0.34 O ATOM 370 CB ILE A 23 9.636 3.219 -5.111 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.548 2.438 -6.424 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.255 3.697 -4.685 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.017 3.254 -7.583 1.00 0.48 C ATOM 0 H ILE A 23 12.076 2.948 -5.543 1.00 0.40 H new ATOM 0 HA ILE A 23 10.294 5.011 -6.118 1.00 0.38 H new ATOM 0 HB ILE A 23 10.022 2.559 -4.334 1.00 0.39 H new ATOM 0 HG12 ILE A 23 10.539 2.062 -6.680 1.00 0.45 H new ATOM 0 HG13 ILE A 23 8.905 1.570 -6.278 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.589 2.840 -4.583 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.328 4.215 -3.729 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.858 4.378 -5.437 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.983 2.634 -8.479 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.013 3.608 -7.349 1.00 0.48 H new ATOM 0 HD13 ILE A 23 9.672 4.108 -7.757 1.00 0.48 H new ATOM 385 N LEU A 24 11.152 4.796 -2.924 1.00 0.30 N ATOM 386 CA LEU A 24 10.999 5.450 -1.629 1.00 0.29 C ATOM 387 C LEU A 24 11.931 6.650 -1.479 1.00 0.32 C ATOM 388 O LEU A 24 11.858 7.368 -0.480 1.00 0.33 O ATOM 389 CB LEU A 24 11.250 4.471 -0.478 1.00 0.31 C ATOM 390 CG LEU A 24 10.497 3.138 -0.546 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.682 2.360 0.744 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.023 3.347 -0.813 1.00 1.01 C ATOM 0 H LEU A 24 11.746 3.967 -2.915 1.00 0.30 H new ATOM 0 HA LEU A 24 9.969 5.803 -1.584 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.318 4.259 -0.436 1.00 0.31 H new ATOM 0 HB3 LEU A 24 10.986 4.966 0.456 1.00 0.31 H new ATOM 0 HG LEU A 24 10.914 2.566 -1.375 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.141 1.416 0.680 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.742 2.161 0.900 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.296 2.944 1.580 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.520 2.381 -0.855 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.590 3.947 -0.013 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.895 3.864 -1.764 1.00 1.01 H new ATOM 404 N SER A 25 12.801 6.876 -2.453 1.00 0.36 N ATOM 405 CA SER A 25 13.697 8.023 -2.388 1.00 0.41 C ATOM 406 C SER A 25 13.091 9.217 -3.113 1.00 0.42 C ATOM 407 O SER A 25 13.707 10.278 -3.213 1.00 0.49 O ATOM 408 CB SER A 25 15.072 7.675 -2.963 1.00 0.50 C ATOM 409 OG SER A 25 14.958 7.025 -4.216 1.00 1.28 O ATOM 0 H SER A 25 12.906 6.293 -3.283 1.00 0.36 H new ATOM 0 HA SER A 25 13.831 8.292 -1.340 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.662 8.585 -3.076 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.608 7.032 -2.265 1.00 0.50 H new ATOM 0 HG SER A 25 14.864 6.060 -4.076 1.00 1.28 H new ATOM 415 N THR A 26 11.872 9.041 -3.610 1.00 0.41 N ATOM 416 CA THR A 26 11.152 10.120 -4.261 1.00 0.46 C ATOM 417 C THR A 26 10.602 11.091 -3.221 1.00 0.45 C ATOM 418 O THR A 26 10.641 10.816 -2.019 1.00 0.45 O ATOM 419 CB THR A 26 9.983 9.585 -5.110 1.00 0.49 C ATOM 420 OG1 THR A 26 9.080 8.848 -4.279 1.00 0.44 O ATOM 421 CG2 THR A 26 10.484 8.696 -6.238 1.00 0.56 C ATOM 0 H THR A 26 11.364 8.157 -3.572 1.00 0.41 H new ATOM 0 HA THR A 26 11.856 10.633 -4.916 1.00 0.46 H new ATOM 0 HB THR A 26 9.465 10.436 -5.552 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.263 7.889 -4.367 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.636 8.334 -6.820 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.149 9.268 -6.884 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.026 7.848 -5.820 1.00 0.56 H new ATOM 429 N ASN A 27 10.067 12.210 -3.684 1.00 0.49 N ATOM 430 CA ASN A 27 9.488 13.207 -2.789 1.00 0.52 C ATOM 431 C ASN A 27 8.165 12.694 -2.216 1.00 0.52 C ATOM 432 O ASN A 27 7.609 13.264 -1.275 1.00 0.67 O ATOM 433 CB ASN A 27 9.259 14.522 -3.538 1.00 0.61 C ATOM 434 CG ASN A 27 8.991 15.691 -2.610 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.732 15.773 -1.515 1.00 1.46 O flip ATOM 436 ND2 ASN A 27 8.144 16.539 -2.895 1.00 1.53 N flip ATOM 0 H ASN A 27 10.020 12.453 -4.674 1.00 0.49 H new ATOM 0 HA ASN A 27 10.183 13.386 -1.969 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.134 14.743 -4.149 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.416 14.404 -4.219 1.00 0.61 H new ATOM 0 HD21 ASN A 27 7.592 16.442 -3.747 1.00 1.53 H new ATOM 0 HD22 ASN A 27 7.995 17.338 -2.279 1.00 1.53 H new ATOM 443 N LEU A 28 7.681 11.599 -2.790 1.00 0.48 N ATOM 444 CA LEU A 28 6.418 10.993 -2.390 1.00 0.47 C ATOM 445 C LEU A 28 6.593 10.124 -1.141 1.00 0.45 C ATOM 446 O LEU A 28 5.615 9.704 -0.521 1.00 0.52 O ATOM 447 CB LEU A 28 5.881 10.145 -3.547 1.00 0.47 C ATOM 448 CG LEU A 28 4.508 9.513 -3.331 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.425 10.579 -3.297 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.230 8.493 -4.423 1.00 0.51 C ATOM 0 H LEU A 28 8.154 11.106 -3.547 1.00 0.48 H new ATOM 0 HA LEU A 28 5.709 11.785 -2.149 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.835 10.770 -4.439 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.597 9.349 -3.752 1.00 0.47 H new ATOM 0 HG LEU A 28 4.504 9.002 -2.368 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.455 10.107 -3.142 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.624 11.274 -2.482 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.418 11.121 -4.243 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.249 8.046 -4.262 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.250 8.986 -5.395 1.00 0.51 H new ATOM 0 HD23 LEU A 28 4.992 7.714 -4.396 1.00 0.51 H new ATOM 462 N PHE A 29 7.842 9.867 -0.767 1.00 0.42 N ATOM 463 CA PHE A 29 8.129 8.990 0.360 1.00 0.40 C ATOM 464 C PHE A 29 9.212 9.595 1.230 1.00 0.42 C ATOM 465 O PHE A 29 9.240 9.372 2.438 1.00 0.48 O ATOM 466 CB PHE A 29 8.570 7.605 -0.119 1.00 0.36 C ATOM 467 CG PHE A 29 7.534 6.877 -0.927 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.511 6.183 -0.306 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.587 6.886 -2.308 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.562 5.510 -1.050 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.642 6.218 -3.058 1.00 0.39 C ATOM 472 CZ PHE A 29 5.628 5.528 -2.429 1.00 0.42 C ATOM 0 H PHE A 29 8.668 10.252 -1.226 1.00 0.42 H new ATOM 0 HA PHE A 29 7.214 8.881 0.942 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.474 7.711 -0.718 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.831 6.999 0.748 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.454 6.167 0.772 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.380 7.424 -2.807 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.769 4.970 -0.554 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.696 6.235 -4.136 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.887 5.003 -3.013 1.00 0.42 H new ATOM 482 N HIS A 30 10.101 10.364 0.590 1.00 0.43 N ATOM 483 CA HIS A 30 11.208 11.059 1.255 1.00 0.52 C ATOM 484 C HIS A 30 11.908 10.176 2.287 1.00 0.45 C ATOM 485 O HIS A 30 12.154 10.590 3.420 1.00 0.48 O ATOM 486 CB HIS A 30 10.759 12.403 1.866 1.00 0.70 C ATOM 487 CG HIS A 30 9.494 12.369 2.674 1.00 1.23 C ATOM 488 ND1 HIS A 30 9.439 11.972 3.993 1.00 1.78 N ATOM 489 CD2 HIS A 30 8.225 12.700 2.333 1.00 2.07 C ATOM 490 CE1 HIS A 30 8.196 12.060 4.426 1.00 2.74 C ATOM 491 NE2 HIS A 30 7.441 12.500 3.438 1.00 2.97 N ATOM 0 H HIS A 30 10.071 10.523 -0.417 1.00 0.43 H new ATOM 0 HA HIS A 30 11.943 11.285 0.482 1.00 0.52 H new ATOM 0 HB2 HIS A 30 11.562 12.777 2.501 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.631 13.122 1.057 1.00 0.70 H new ATOM 0 HD2 HIS A 30 7.893 13.056 1.369 1.00 2.07 H new ATOM 0 HE1 HIS A 30 7.855 11.814 5.421 1.00 2.74 H new ATOM 0 HE2 HIS A 30 6.436 12.665 3.489 1.00 2.97 H new ATOM 500 N CYS A 31 12.235 8.962 1.857 1.00 0.44 N ATOM 501 CA CYS A 31 12.964 7.993 2.667 1.00 0.45 C ATOM 502 C CYS A 31 12.294 7.762 4.023 1.00 0.40 C ATOM 503 O CYS A 31 12.819 8.142 5.072 1.00 0.47 O ATOM 504 CB CYS A 31 14.429 8.420 2.835 1.00 0.62 C ATOM 505 SG CYS A 31 15.248 8.885 1.270 1.00 1.10 S ATOM 0 H CYS A 31 11.999 8.619 0.926 1.00 0.44 H new ATOM 0 HA CYS A 31 12.944 7.041 2.137 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.475 9.265 3.523 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.985 7.603 3.296 1.00 0.62 H new ATOM 510 N LYS A 32 11.109 7.166 3.980 1.00 0.39 N ATOM 511 CA LYS A 32 10.370 6.819 5.186 1.00 0.43 C ATOM 512 C LYS A 32 10.956 5.563 5.834 1.00 0.45 C ATOM 513 O LYS A 32 11.887 4.959 5.301 1.00 0.55 O ATOM 514 CB LYS A 32 8.886 6.622 4.855 1.00 0.50 C ATOM 515 CG LYS A 32 8.594 5.427 3.953 1.00 0.53 C ATOM 516 CD LYS A 32 7.325 5.639 3.146 1.00 0.90 C ATOM 517 CE LYS A 32 6.107 5.807 4.036 1.00 2.05 C ATOM 518 NZ LYS A 32 4.878 6.066 3.242 1.00 2.72 N ATOM 0 H LYS A 32 10.636 6.911 3.113 1.00 0.39 H new ATOM 0 HA LYS A 32 10.459 7.638 5.900 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.332 6.503 5.786 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.511 7.525 4.374 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.434 5.265 3.277 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.495 4.527 4.560 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.439 6.522 2.517 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.173 4.790 2.480 1.00 0.90 H new ATOM 0 HE2 LYS A 32 5.969 4.909 4.638 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.273 6.632 4.729 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.045 6.007 3.862 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.930 7.016 2.821 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.797 5.357 2.486 1.00 2.72 H new ATOM 532 N ASP A 33 10.407 5.176 6.982 1.00 0.49 N ATOM 533 CA ASP A 33 10.859 3.975 7.689 1.00 0.54 C ATOM 534 C ASP A 33 10.570 2.730 6.867 1.00 0.48 C ATOM 535 O ASP A 33 11.450 1.902 6.629 1.00 0.51 O ATOM 536 CB ASP A 33 10.160 3.840 9.045 1.00 0.66 C ATOM 537 CG ASP A 33 10.488 4.960 10.000 1.00 1.28 C ATOM 538 OD1 ASP A 33 9.791 5.994 9.972 1.00 2.06 O ATOM 539 OD2 ASP A 33 11.466 4.823 10.767 1.00 1.57 O ATOM 0 H ASP A 33 9.648 5.675 7.445 1.00 0.49 H new ATOM 0 HA ASP A 33 11.933 4.074 7.844 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.082 3.810 8.889 1.00 0.66 H new ATOM 0 HB3 ASP A 33 10.443 2.890 9.499 1.00 0.66 H new ATOM 544 N LYS A 34 9.323 2.602 6.448 1.00 0.44 N ATOM 545 CA LYS A 34 8.888 1.458 5.673 1.00 0.41 C ATOM 546 C LYS A 34 7.679 1.834 4.833 1.00 0.38 C ATOM 547 O LYS A 34 7.004 2.826 5.117 1.00 0.43 O ATOM 548 CB LYS A 34 8.523 0.292 6.591 1.00 0.48 C ATOM 549 CG LYS A 34 7.301 0.558 7.452 1.00 0.95 C ATOM 550 CD LYS A 34 7.643 0.591 8.932 1.00 1.27 C ATOM 551 CE LYS A 34 8.168 -0.752 9.402 1.00 1.96 C ATOM 552 NZ LYS A 34 8.302 -0.822 10.881 1.00 2.60 N ATOM 0 H LYS A 34 8.589 3.285 6.635 1.00 0.44 H new ATOM 0 HA LYS A 34 9.707 1.152 5.023 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.344 -0.595 5.984 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.372 0.070 7.238 1.00 0.48 H new ATOM 0 HG2 LYS A 34 6.853 1.509 7.162 1.00 0.95 H new ATOM 0 HG3 LYS A 34 6.554 -0.215 7.270 1.00 0.95 H new ATOM 0 HD2 LYS A 34 8.390 1.362 9.118 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.757 0.860 9.507 1.00 1.27 H new ATOM 0 HE2 LYS A 34 7.496 -1.541 9.063 1.00 1.96 H new ATOM 0 HE3 LYS A 34 9.138 -0.941 8.943 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 8.664 -1.758 11.153 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 8.964 -0.088 11.205 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 7.372 -0.669 11.321 1.00 2.60 H new ATOM 566 N ASN A 35 7.403 1.046 3.816 1.00 0.37 N ATOM 567 CA ASN A 35 6.243 1.274 2.973 1.00 0.36 C ATOM 568 C ASN A 35 5.747 -0.041 2.391 1.00 0.34 C ATOM 569 O ASN A 35 6.459 -0.694 1.624 1.00 0.38 O ATOM 570 CB ASN A 35 6.568 2.248 1.841 1.00 0.36 C ATOM 571 CG ASN A 35 5.316 2.786 1.178 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.757 3.799 1.608 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.872 2.122 0.128 1.00 0.35 N ATOM 0 H ASN A 35 7.967 0.238 3.550 1.00 0.37 H new ATOM 0 HA ASN A 35 5.461 1.712 3.592 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.155 3.078 2.234 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.185 1.745 1.096 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.036 2.442 -0.361 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.365 1.289 -0.194 1.00 0.35 H new ATOM 580 N THR A 36 4.534 -0.426 2.753 1.00 0.32 N ATOM 581 CA THR A 36 3.949 -1.669 2.274 1.00 0.30 C ATOM 582 C THR A 36 3.195 -1.442 0.965 1.00 0.26 C ATOM 583 O THR A 36 2.189 -0.723 0.930 1.00 0.28 O ATOM 584 CB THR A 36 2.986 -2.262 3.321 1.00 0.36 C ATOM 585 OG1 THR A 36 3.608 -2.261 4.615 1.00 0.45 O ATOM 586 CG2 THR A 36 2.585 -3.685 2.951 1.00 0.37 C ATOM 0 H THR A 36 3.932 0.107 3.380 1.00 0.32 H new ATOM 0 HA THR A 36 4.764 -2.372 2.101 1.00 0.30 H new ATOM 0 HB THR A 36 2.089 -1.643 3.345 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.439 -2.780 4.579 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.905 -4.080 3.706 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.088 -3.682 1.981 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.475 -4.312 2.901 1.00 0.37 H new ATOM 594 N PHE A 37 3.688 -2.040 -0.110 1.00 0.21 N ATOM 595 CA PHE A 37 3.041 -1.933 -1.409 1.00 0.18 C ATOM 596 C PHE A 37 2.120 -3.118 -1.645 1.00 0.18 C ATOM 597 O PHE A 37 2.372 -4.228 -1.173 1.00 0.21 O ATOM 598 CB PHE A 37 4.073 -1.876 -2.536 1.00 0.17 C ATOM 599 CG PHE A 37 4.981 -0.684 -2.496 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.144 -0.703 -1.741 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.655 0.468 -3.190 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.960 0.406 -1.680 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.472 1.576 -3.137 1.00 0.20 C ATOM 604 CZ PHE A 37 6.693 1.494 -2.460 1.00 0.20 C ATOM 0 H PHE A 37 4.537 -2.606 -0.108 1.00 0.21 H new ATOM 0 HA PHE A 37 2.461 -1.010 -1.409 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.681 -2.780 -2.499 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.548 -1.884 -3.491 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.413 -1.595 -1.196 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.751 0.499 -3.779 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.811 0.414 -1.015 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.173 2.498 -3.613 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.420 2.287 -2.554 1.00 0.20 H new ATOM 614 N ILE A 38 1.060 -2.869 -2.383 1.00 0.18 N ATOM 615 CA ILE A 38 0.102 -3.893 -2.732 1.00 0.17 C ATOM 616 C ILE A 38 0.218 -4.218 -4.215 1.00 0.17 C ATOM 617 O ILE A 38 0.040 -3.338 -5.059 1.00 0.18 O ATOM 618 CB ILE A 38 -1.334 -3.412 -2.432 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.447 -2.973 -0.971 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.348 -4.506 -2.747 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.665 -2.119 -0.683 1.00 0.22 C ATOM 0 H ILE A 38 0.838 -1.947 -2.759 1.00 0.18 H new ATOM 0 HA ILE A 38 0.313 -4.783 -2.139 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.554 -2.557 -3.071 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.477 -3.859 -0.336 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.551 -2.416 -0.698 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.353 -4.145 -2.528 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.280 -4.772 -3.802 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.137 -5.384 -2.137 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.677 -1.847 0.372 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.627 -1.215 -1.291 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.568 -2.680 -0.923 1.00 0.22 H new ATOM 633 N TYR A 39 0.549 -5.461 -4.533 1.00 0.16 N ATOM 634 CA TYR A 39 0.556 -5.902 -5.916 1.00 0.17 C ATOM 635 C TYR A 39 -0.867 -6.201 -6.351 1.00 0.18 C ATOM 636 O TYR A 39 -1.371 -7.320 -6.192 1.00 0.18 O ATOM 637 CB TYR A 39 1.452 -7.127 -6.120 1.00 0.20 C ATOM 638 CG TYR A 39 1.399 -7.684 -7.529 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.015 -7.014 -8.580 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.751 -8.880 -7.805 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.986 -7.520 -9.863 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.716 -9.391 -9.090 1.00 0.34 C ATOM 643 CZ TYR A 39 1.269 -8.704 -10.112 1.00 0.35 C ATOM 644 OH TYR A 39 1.310 -9.212 -11.393 1.00 0.40 O ATOM 0 H TYR A 39 0.814 -6.176 -3.856 1.00 0.16 H new ATOM 0 HA TYR A 39 0.968 -5.102 -6.531 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.481 -6.859 -5.882 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.155 -7.906 -5.418 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.525 -6.081 -8.389 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.267 -9.420 -7.005 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.506 -7.015 -10.664 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.244 -10.344 -9.277 1.00 0.34 H new ATOM 0 HH TYR A 39 0.776 -10.033 -11.437 1.00 0.40 H new ATOM 654 N SER A 40 -1.511 -5.174 -6.852 1.00 0.23 N ATOM 655 CA SER A 40 -2.875 -5.255 -7.307 1.00 0.26 C ATOM 656 C SER A 40 -3.245 -3.925 -7.926 1.00 0.29 C ATOM 657 O SER A 40 -2.720 -2.885 -7.526 1.00 0.50 O ATOM 658 CB SER A 40 -3.813 -5.595 -6.139 1.00 0.25 C ATOM 659 OG SER A 40 -5.148 -5.781 -6.576 1.00 0.93 O ATOM 0 H SER A 40 -1.096 -4.248 -6.956 1.00 0.23 H new ATOM 0 HA SER A 40 -2.977 -6.048 -8.048 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.463 -6.500 -5.643 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.780 -4.794 -5.401 1.00 0.25 H new ATOM 0 HG SER A 40 -5.717 -5.997 -5.808 1.00 0.93 H new ATOM 665 N ARG A 41 -4.111 -3.954 -8.921 1.00 0.25 N ATOM 666 CA ARG A 41 -4.551 -2.734 -9.563 1.00 0.27 C ATOM 667 C ARG A 41 -5.361 -1.875 -8.602 1.00 0.22 C ATOM 668 O ARG A 41 -5.880 -2.359 -7.599 1.00 0.23 O ATOM 669 CB ARG A 41 -5.370 -3.044 -10.809 1.00 0.33 C ATOM 670 CG ARG A 41 -4.553 -3.047 -12.079 1.00 0.54 C ATOM 671 CD ARG A 41 -4.944 -4.204 -12.962 1.00 1.08 C ATOM 672 NE ARG A 41 -4.167 -5.402 -12.649 1.00 1.30 N ATOM 673 CZ ARG A 41 -4.563 -6.648 -12.911 1.00 2.21 C ATOM 674 NH1 ARG A 41 -5.776 -6.875 -13.409 1.00 2.92 N ATOM 675 NH2 ARG A 41 -3.753 -7.671 -12.654 1.00 2.66 N ATOM 0 H ARG A 41 -4.522 -4.807 -9.300 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.664 -2.175 -9.860 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.845 -4.018 -10.689 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.169 -2.309 -10.902 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.700 -2.109 -12.614 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -3.493 -3.112 -11.835 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -6.006 -4.415 -12.838 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -4.793 -3.933 -14.007 1.00 1.08 H new ATOM 0 HE ARG A 41 -3.260 -5.276 -12.200 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -6.407 -6.094 -13.592 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -6.075 -7.830 -13.608 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -2.829 -7.502 -12.256 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -4.056 -8.624 -12.854 1.00 2.66 H new ATOM 689 N PRO A 42 -5.492 -0.590 -8.916 1.00 0.22 N ATOM 690 CA PRO A 42 -6.231 0.352 -8.080 1.00 0.21 C ATOM 691 C PRO A 42 -7.719 0.023 -8.030 1.00 0.20 C ATOM 692 O PRO A 42 -8.395 0.319 -7.052 1.00 0.23 O ATOM 693 CB PRO A 42 -5.995 1.706 -8.761 1.00 0.24 C ATOM 694 CG PRO A 42 -5.616 1.378 -10.166 1.00 0.25 C ATOM 695 CD PRO A 42 -4.936 0.040 -10.121 1.00 0.30 C ATOM 0 HA PRO A 42 -5.898 0.329 -7.042 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.892 2.324 -8.730 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.205 2.266 -8.261 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.496 1.345 -10.808 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.951 2.138 -10.576 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -5.148 -0.547 -11.014 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.853 0.143 -10.056 1.00 0.30 H new ATOM 703 N GLU A 43 -8.219 -0.626 -9.073 1.00 0.21 N ATOM 704 CA GLU A 43 -9.637 -0.932 -9.168 1.00 0.25 C ATOM 705 C GLU A 43 -10.055 -1.999 -8.151 1.00 0.23 C ATOM 706 O GLU A 43 -10.937 -1.750 -7.331 1.00 0.24 O ATOM 707 CB GLU A 43 -9.977 -1.362 -10.591 1.00 0.36 C ATOM 708 CG GLU A 43 -9.896 -0.228 -11.594 1.00 0.48 C ATOM 709 CD GLU A 43 -10.123 -0.692 -13.013 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.280 -0.999 -13.365 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.144 -0.739 -13.786 1.00 2.36 O ATOM 0 H GLU A 43 -7.663 -0.950 -9.864 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.200 -0.030 -8.928 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.296 -2.157 -10.896 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.983 -1.781 -10.606 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.637 0.530 -11.340 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.917 0.246 -11.523 1.00 0.48 H new ATOM 718 N PRO A 44 -9.424 -3.193 -8.165 1.00 0.24 N ATOM 719 CA PRO A 44 -9.738 -4.263 -7.209 1.00 0.26 C ATOM 720 C PRO A 44 -9.457 -3.859 -5.760 1.00 0.24 C ATOM 721 O PRO A 44 -10.016 -4.440 -4.828 1.00 0.27 O ATOM 722 CB PRO A 44 -8.821 -5.418 -7.635 1.00 0.30 C ATOM 723 CG PRO A 44 -7.748 -4.785 -8.444 1.00 0.36 C ATOM 724 CD PRO A 44 -8.385 -3.607 -9.115 1.00 0.27 C ATOM 0 HA PRO A 44 -10.797 -4.519 -7.229 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.408 -5.934 -6.768 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.367 -6.160 -8.217 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.915 -4.473 -7.814 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.348 -5.484 -9.178 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.664 -2.809 -9.295 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.810 -3.877 -10.082 1.00 0.27 H new ATOM 732 N VAL A 45 -8.610 -2.851 -5.575 1.00 0.20 N ATOM 733 CA VAL A 45 -8.296 -2.366 -4.236 1.00 0.19 C ATOM 734 C VAL A 45 -9.295 -1.289 -3.813 1.00 0.17 C ATOM 735 O VAL A 45 -9.694 -1.221 -2.650 1.00 0.18 O ATOM 736 CB VAL A 45 -6.851 -1.823 -4.145 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.574 -1.230 -2.769 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.854 -2.930 -4.449 1.00 0.23 C ATOM 0 H VAL A 45 -8.132 -2.358 -6.329 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.373 -3.213 -3.554 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.740 -1.030 -4.885 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.551 -0.856 -2.733 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.267 -0.410 -2.580 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.706 -1.999 -2.008 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.840 -2.535 -4.382 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.977 -3.739 -3.728 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.029 -3.311 -5.455 1.00 0.23 H new ATOM 748 N LYS A 46 -9.728 -0.469 -4.762 1.00 0.15 N ATOM 749 CA LYS A 46 -10.771 0.510 -4.488 1.00 0.15 C ATOM 750 C LYS A 46 -12.096 -0.208 -4.266 1.00 0.17 C ATOM 751 O LYS A 46 -12.943 0.243 -3.495 1.00 0.20 O ATOM 752 CB LYS A 46 -10.907 1.508 -5.643 1.00 0.17 C ATOM 753 CG LYS A 46 -11.857 2.655 -5.341 1.00 0.20 C ATOM 754 CD LYS A 46 -11.929 3.643 -6.488 1.00 0.27 C ATOM 755 CE LYS A 46 -12.877 4.787 -6.169 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.279 4.318 -5.991 1.00 1.36 N ATOM 0 H LYS A 46 -9.377 -0.462 -5.720 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.498 1.065 -3.591 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.924 1.914 -5.881 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.257 0.980 -6.530 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.852 2.259 -5.139 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.530 3.170 -4.438 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.934 4.038 -6.694 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.262 3.132 -7.391 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.545 5.290 -5.261 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.840 5.523 -6.972 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.935 5.099 -6.196 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.466 3.529 -6.642 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.416 3.999 -5.011 1.00 1.36 H new ATOM 770 N ALA A 47 -12.252 -1.346 -4.937 1.00 0.18 N ATOM 771 CA ALA A 47 -13.448 -2.167 -4.812 1.00 0.22 C ATOM 772 C ALA A 47 -13.551 -2.786 -3.423 1.00 0.22 C ATOM 773 O ALA A 47 -14.616 -3.249 -3.021 1.00 0.27 O ATOM 774 CB ALA A 47 -13.460 -3.250 -5.877 1.00 0.26 C ATOM 0 H ALA A 47 -11.555 -1.722 -5.580 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.315 -1.522 -4.956 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.360 -3.855 -5.770 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.448 -2.789 -6.865 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.581 -3.884 -5.761 1.00 0.26 H new ATOM 780 N ILE A 48 -12.440 -2.803 -2.694 1.00 0.20 N ATOM 781 CA ILE A 48 -12.458 -3.242 -1.307 1.00 0.21 C ATOM 782 C ILE A 48 -13.292 -2.265 -0.486 1.00 0.21 C ATOM 783 O ILE A 48 -13.973 -2.646 0.467 1.00 0.23 O ATOM 784 CB ILE A 48 -11.031 -3.333 -0.716 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.165 -4.247 -1.586 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.074 -3.847 0.716 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.718 -4.300 -1.155 1.00 0.21 C ATOM 0 H ILE A 48 -11.523 -2.520 -3.039 1.00 0.20 H new ATOM 0 HA ILE A 48 -12.896 -4.240 -1.270 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.593 -2.335 -0.705 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.579 -5.255 -1.563 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.215 -3.905 -2.620 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.060 -3.904 1.113 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.666 -3.168 1.329 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.526 -4.839 0.733 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.165 -4.967 -1.817 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.287 -3.300 -1.205 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.656 -4.671 -0.132 1.00 0.21 H new ATOM 799 N CYS A 49 -13.267 -1.006 -0.903 1.00 0.20 N ATOM 800 CA CYS A 49 -14.009 0.042 -0.232 1.00 0.21 C ATOM 801 C CYS A 49 -15.311 0.345 -0.963 1.00 0.25 C ATOM 802 O CYS A 49 -15.947 1.369 -0.720 1.00 0.25 O ATOM 803 CB CYS A 49 -13.136 1.288 -0.148 1.00 0.19 C ATOM 804 SG CYS A 49 -11.636 1.032 0.842 1.00 0.18 S ATOM 0 H CYS A 49 -12.733 -0.688 -1.712 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.270 -0.290 0.773 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.853 1.596 -1.155 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.716 2.104 0.284 1.00 0.19 H new ATOM 809 N LYS A 50 -15.712 -0.560 -1.849 1.00 0.32 N ATOM 810 CA LYS A 50 -16.946 -0.397 -2.606 1.00 0.40 C ATOM 811 C LYS A 50 -18.147 -0.325 -1.672 1.00 0.39 C ATOM 812 O LYS A 50 -18.373 -1.224 -0.861 1.00 0.47 O ATOM 813 CB LYS A 50 -17.132 -1.555 -3.586 1.00 0.54 C ATOM 814 CG LYS A 50 -18.330 -1.390 -4.511 1.00 0.68 C ATOM 815 CD LYS A 50 -18.642 -2.679 -5.253 1.00 0.92 C ATOM 816 CE LYS A 50 -17.454 -3.163 -6.066 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.736 -4.462 -6.733 1.00 2.33 N ATOM 0 H LYS A 50 -15.199 -1.416 -2.060 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.874 0.537 -3.164 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.230 -1.657 -4.189 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.245 -2.481 -3.023 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.200 -1.083 -3.930 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.130 -0.595 -5.229 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.931 -3.449 -4.538 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.495 -2.521 -5.914 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.199 -2.416 -6.818 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.586 -3.269 -5.415 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -16.902 -4.760 -7.278 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -17.955 -5.181 -6.014 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.548 -4.354 -7.373 1.00 2.33 H new ATOM 831 N GLY A 51 -18.899 0.754 -1.787 1.00 0.36 N ATOM 832 CA GLY A 51 -20.099 0.913 -0.998 1.00 0.38 C ATOM 833 C GLY A 51 -19.820 1.423 0.399 1.00 0.37 C ATOM 834 O GLY A 51 -20.680 1.336 1.273 1.00 0.44 O ATOM 0 H GLY A 51 -18.698 1.530 -2.418 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.772 1.605 -1.504 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.615 -0.045 -0.934 1.00 0.38 H new ATOM 838 N ILE A 52 -18.620 1.947 0.622 1.00 0.31 N ATOM 839 CA ILE A 52 -18.259 2.459 1.939 1.00 0.29 C ATOM 840 C ILE A 52 -18.033 3.967 1.889 1.00 0.29 C ATOM 841 O ILE A 52 -16.929 4.427 1.609 1.00 0.27 O ATOM 842 CB ILE A 52 -16.980 1.784 2.472 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.033 0.270 2.249 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.791 2.099 3.950 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.150 -0.425 2.997 1.00 0.33 C ATOM 0 H ILE A 52 -17.888 2.028 -0.083 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.088 2.233 2.609 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.127 2.180 1.920 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.147 0.074 1.183 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.081 -0.165 2.553 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.884 1.615 4.312 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.706 3.177 4.084 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.648 1.730 4.513 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.119 -1.494 2.786 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.027 -0.263 4.068 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.110 -0.020 2.676 1.00 0.33 H new ATOM 857 N ILE A 53 -19.076 4.731 2.169 1.00 0.33 N ATOM 858 CA ILE A 53 -19.010 6.180 2.088 1.00 0.35 C ATOM 859 C ILE A 53 -18.389 6.763 3.350 1.00 0.34 C ATOM 860 O ILE A 53 -17.494 7.607 3.279 1.00 0.35 O ATOM 861 CB ILE A 53 -20.415 6.791 1.857 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.886 6.559 0.415 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.419 8.285 2.163 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.994 5.108 -0.002 1.00 0.55 C ATOM 0 H ILE A 53 -19.985 4.368 2.456 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.380 6.435 1.236 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.104 6.290 2.537 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.860 7.030 0.288 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.197 7.064 -0.261 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.417 8.689 1.993 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.136 8.444 3.204 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.707 8.792 1.512 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.334 5.051 -1.036 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.018 4.631 0.086 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.708 4.596 0.643 1.00 0.55 H new ATOM 876 N ALA A 54 -18.851 6.292 4.497 1.00 0.37 N ATOM 877 CA ALA A 54 -18.359 6.781 5.773 1.00 0.38 C ATOM 878 C ALA A 54 -16.974 6.227 6.063 1.00 0.33 C ATOM 879 O ALA A 54 -16.678 5.085 5.714 1.00 0.32 O ATOM 880 CB ALA A 54 -19.319 6.405 6.885 1.00 0.46 C ATOM 0 H ALA A 54 -19.568 5.570 4.570 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.290 7.868 5.721 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.938 6.778 7.836 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.296 6.847 6.687 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.414 5.320 6.932 1.00 0.46 H new ATOM 886 N SER A 55 -16.127 7.055 6.669 1.00 0.34 N ATOM 887 CA SER A 55 -14.793 6.644 7.085 1.00 0.34 C ATOM 888 C SER A 55 -14.851 5.358 7.917 1.00 0.32 C ATOM 889 O SER A 55 -15.276 5.369 9.074 1.00 0.36 O ATOM 890 CB SER A 55 -14.138 7.778 7.874 1.00 0.41 C ATOM 891 OG SER A 55 -15.067 8.373 8.771 1.00 1.42 O ATOM 0 H SER A 55 -16.347 8.027 6.884 1.00 0.34 H new ATOM 0 HA SER A 55 -14.192 6.433 6.200 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.284 7.393 8.431 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.756 8.532 7.186 1.00 0.41 H new ATOM 0 HG SER A 55 -15.521 7.672 9.284 1.00 1.42 H new ATOM 897 N LYS A 56 -14.442 4.254 7.314 1.00 0.30 N ATOM 898 CA LYS A 56 -14.541 2.950 7.951 1.00 0.31 C ATOM 899 C LYS A 56 -13.339 2.085 7.594 1.00 0.29 C ATOM 900 O LYS A 56 -12.956 1.988 6.430 1.00 0.27 O ATOM 901 CB LYS A 56 -15.842 2.273 7.507 1.00 0.34 C ATOM 902 CG LYS A 56 -15.998 0.832 7.963 1.00 0.40 C ATOM 903 CD LYS A 56 -17.303 0.241 7.452 1.00 0.51 C ATOM 904 CE LYS A 56 -17.364 -1.264 7.656 1.00 0.94 C ATOM 905 NZ LYS A 56 -17.286 -1.646 9.090 1.00 1.71 N ATOM 0 H LYS A 56 -14.036 4.235 6.379 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.550 3.077 9.033 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.684 2.852 7.886 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.898 2.303 6.419 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.159 0.239 7.601 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -15.975 0.786 9.052 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.140 0.711 7.968 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.413 0.468 6.392 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.291 -1.648 7.231 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.545 -1.735 7.112 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -17.366 -2.679 9.179 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -16.375 -1.334 9.483 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.062 -1.193 9.613 1.00 1.71 H new ATOM 919 N ASN A 57 -12.743 1.464 8.600 1.00 0.36 N ATOM 920 CA ASN A 57 -11.601 0.586 8.388 1.00 0.37 C ATOM 921 C ASN A 57 -12.087 -0.803 8.018 1.00 0.33 C ATOM 922 O ASN A 57 -12.702 -1.489 8.835 1.00 0.41 O ATOM 923 CB ASN A 57 -10.736 0.505 9.649 1.00 0.50 C ATOM 924 CG ASN A 57 -10.106 1.828 10.022 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.807 2.657 9.164 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.899 2.037 11.309 1.00 1.13 N ATOM 0 H ASN A 57 -13.032 1.552 9.574 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.998 0.994 7.577 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.348 0.154 10.480 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -9.950 -0.235 9.496 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.477 2.911 11.622 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.161 1.324 11.990 1.00 1.13 H new ATOM 933 N VAL A 58 -11.834 -1.217 6.788 1.00 0.28 N ATOM 934 CA VAL A 58 -12.285 -2.518 6.339 1.00 0.27 C ATOM 935 C VAL A 58 -11.096 -3.453 6.133 1.00 0.25 C ATOM 936 O VAL A 58 -10.096 -3.099 5.501 1.00 0.25 O ATOM 937 CB VAL A 58 -13.141 -2.428 5.053 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.170 -1.313 5.163 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.282 -2.253 3.816 1.00 0.57 C ATOM 0 H VAL A 58 -11.324 -0.675 6.090 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.925 -2.928 7.120 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.672 -3.374 4.948 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.759 -1.270 4.247 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.829 -1.508 6.009 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.660 -0.361 5.312 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -12.921 -2.194 2.935 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.700 -1.336 3.904 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.607 -3.103 3.719 1.00 0.57 H new ATOM 949 N LEU A 59 -11.194 -4.629 6.716 1.00 0.28 N ATOM 950 CA LEU A 59 -10.156 -5.630 6.615 1.00 0.26 C ATOM 951 C LEU A 59 -10.486 -6.578 5.469 1.00 0.26 C ATOM 952 O LEU A 59 -11.634 -7.001 5.318 1.00 0.30 O ATOM 953 CB LEU A 59 -10.054 -6.365 7.959 1.00 0.30 C ATOM 954 CG LEU A 59 -8.851 -7.291 8.158 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.124 -8.669 7.602 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.608 -6.706 7.523 1.00 0.67 C ATOM 0 H LEU A 59 -11.998 -4.917 7.274 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.189 -5.175 6.400 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.041 -5.618 8.753 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.961 -6.955 8.091 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.681 -7.384 9.231 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.252 -9.304 7.758 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.984 -9.103 8.111 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.333 -8.596 6.535 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.767 -7.382 7.678 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.774 -6.573 6.454 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.386 -5.741 7.979 1.00 0.67 H new ATOM 968 N THR A 60 -9.495 -6.892 4.652 1.00 0.22 N ATOM 969 CA THR A 60 -9.729 -7.708 3.472 1.00 0.22 C ATOM 970 C THR A 60 -9.967 -9.158 3.855 1.00 0.24 C ATOM 971 O THR A 60 -9.268 -9.717 4.698 1.00 0.33 O ATOM 972 CB THR A 60 -8.564 -7.621 2.465 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.336 -8.015 3.083 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.428 -6.210 1.912 1.00 0.24 C ATOM 0 H THR A 60 -8.527 -6.597 4.782 1.00 0.22 H new ATOM 0 HA THR A 60 -10.622 -7.312 2.989 1.00 0.22 H new ATOM 0 HB THR A 60 -8.784 -8.300 1.642 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.077 -8.903 2.759 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.600 -6.175 1.204 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.351 -5.927 1.405 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.236 -5.516 2.730 1.00 0.24 H new ATOM 982 N THR A 61 -10.962 -9.758 3.230 1.00 0.27 N ATOM 983 CA THR A 61 -11.345 -11.123 3.526 1.00 0.33 C ATOM 984 C THR A 61 -10.263 -12.113 3.099 1.00 0.33 C ATOM 985 O THR A 61 -10.109 -13.181 3.690 1.00 0.43 O ATOM 986 CB THR A 61 -12.664 -11.455 2.817 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.579 -11.068 1.438 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.822 -10.727 3.480 1.00 0.46 C ATOM 0 H THR A 61 -11.525 -9.314 2.505 1.00 0.27 H new ATOM 0 HA THR A 61 -11.474 -11.212 4.605 1.00 0.33 H new ATOM 0 HB THR A 61 -12.839 -12.529 2.887 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.422 -11.282 0.986 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.750 -10.974 2.964 1.00 0.46 H new ATOM 0 HG22 THR A 61 -13.894 -11.033 4.524 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.653 -9.651 3.428 1.00 0.46 H new ATOM 996 N SER A 62 -9.491 -11.726 2.099 1.00 0.28 N ATOM 997 CA SER A 62 -8.485 -12.599 1.519 1.00 0.31 C ATOM 998 C SER A 62 -7.126 -11.908 1.508 1.00 0.26 C ATOM 999 O SER A 62 -7.042 -10.681 1.629 1.00 0.24 O ATOM 1000 CB SER A 62 -8.889 -12.982 0.094 1.00 0.41 C ATOM 1001 OG SER A 62 -10.228 -13.449 0.043 1.00 1.09 O ATOM 0 H SER A 62 -9.543 -10.803 1.668 1.00 0.28 H new ATOM 0 HA SER A 62 -8.412 -13.502 2.125 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.778 -12.118 -0.562 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.218 -13.755 -0.281 1.00 0.41 H new ATOM 0 HG SER A 62 -10.457 -13.684 -0.880 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.071 -12.700 1.393 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.721 -12.176 1.337 1.00 0.23 C ATOM 1009 C GLU A 63 -4.395 -11.660 -0.058 1.00 0.24 C ATOM 1010 O GLU A 63 -4.837 -12.220 -1.062 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.698 -13.246 1.742 1.00 0.25 C ATOM 1012 CG GLU A 63 -3.942 -13.873 3.110 1.00 0.34 C ATOM 1013 CD GLU A 63 -4.945 -15.012 3.090 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -6.157 -14.745 3.001 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -4.520 -16.181 3.192 1.00 2.06 O ATOM 0 H GLU A 63 -6.129 -13.717 1.336 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.662 -11.348 2.043 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.700 -14.035 0.990 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.703 -12.800 1.734 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -2.995 -14.242 3.505 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.295 -13.102 3.795 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.631 -10.583 -0.104 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.172 -10.012 -1.359 1.00 0.17 C ATOM 1024 C PHE A 64 -1.662 -10.121 -1.452 1.00 0.16 C ATOM 1025 O PHE A 64 -0.990 -10.406 -0.456 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.598 -8.550 -1.486 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.058 -8.368 -1.794 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.021 -8.534 -0.811 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.465 -8.031 -3.075 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.362 -8.366 -1.100 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.804 -7.863 -3.370 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.754 -8.030 -2.381 1.00 0.28 C ATOM 0 H PHE A 64 -3.312 -10.081 0.724 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.628 -10.571 -2.176 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.365 -8.031 -0.556 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.009 -8.076 -2.271 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.720 -8.798 0.192 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.727 -7.898 -3.852 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.103 -8.497 -0.325 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.108 -7.601 -4.373 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.801 -7.898 -2.609 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.130 -9.898 -2.641 1.00 0.17 N ATOM 1043 CA TYR A 65 0.302 -10.015 -2.856 1.00 0.16 C ATOM 1044 C TYR A 65 0.981 -8.726 -2.430 1.00 0.16 C ATOM 1045 O TYR A 65 0.964 -7.739 -3.155 1.00 0.18 O ATOM 1046 CB TYR A 65 0.606 -10.307 -4.326 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.178 -11.465 -4.895 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.073 -12.770 -4.490 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.168 -11.252 -5.843 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.645 -13.829 -5.010 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.890 -12.303 -6.371 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.626 -13.590 -5.952 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.337 -14.636 -6.494 1.00 0.66 O ATOM 0 H TYR A 65 -1.665 -9.636 -3.469 1.00 0.17 H new ATOM 0 HA TYR A 65 0.683 -10.843 -2.259 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.395 -9.414 -4.915 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.671 -10.515 -4.432 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.842 -12.960 -3.756 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.378 -10.246 -6.174 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.441 -14.837 -4.682 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.657 -12.119 -7.108 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.988 -14.289 -7.139 1.00 0.66 H new ATOM 1063 N LEU A 66 1.559 -8.728 -1.247 1.00 0.15 N ATOM 1064 CA LEU A 66 2.137 -7.520 -0.694 1.00 0.16 C ATOM 1065 C LEU A 66 3.649 -7.525 -0.826 1.00 0.16 C ATOM 1066 O LEU A 66 4.289 -8.585 -0.787 1.00 0.20 O ATOM 1067 CB LEU A 66 1.742 -7.375 0.773 1.00 0.18 C ATOM 1068 CG LEU A 66 0.239 -7.437 1.036 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.040 -7.372 2.524 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.483 -6.311 0.311 1.00 0.19 C ATOM 0 H LEU A 66 1.641 -9.551 -0.650 1.00 0.15 H new ATOM 0 HA LEU A 66 1.750 -6.671 -1.258 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.231 -8.162 1.347 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.124 -6.425 1.146 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.136 -8.386 0.652 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.116 -7.417 2.695 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.442 -8.213 3.022 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.352 -6.438 2.927 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.552 -6.375 0.513 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.104 -5.351 0.662 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.310 -6.399 -0.762 1.00 0.19 H new ATOM 1082 N SER A 67 4.208 -6.343 -1.011 1.00 0.17 N ATOM 1083 CA SER A 67 5.642 -6.157 -1.005 1.00 0.18 C ATOM 1084 C SER A 67 5.980 -5.018 -0.053 1.00 0.22 C ATOM 1085 O SER A 67 5.691 -3.854 -0.328 1.00 0.26 O ATOM 1086 CB SER A 67 6.141 -5.850 -2.420 1.00 0.22 C ATOM 1087 OG SER A 67 5.797 -6.895 -3.319 1.00 0.29 O ATOM 0 H SER A 67 3.678 -5.486 -1.169 1.00 0.17 H new ATOM 0 HA SER A 67 6.136 -7.069 -0.668 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.709 -4.911 -2.766 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.223 -5.718 -2.407 1.00 0.22 H new ATOM 0 HG SER A 67 6.517 -7.014 -3.973 1.00 0.29 H new ATOM 1093 N ASP A 68 6.582 -5.363 1.071 1.00 0.26 N ATOM 1094 CA ASP A 68 6.812 -4.403 2.138 1.00 0.34 C ATOM 1095 C ASP A 68 8.264 -3.953 2.164 1.00 0.29 C ATOM 1096 O ASP A 68 9.170 -4.745 2.425 1.00 0.34 O ATOM 1097 CB ASP A 68 6.413 -5.017 3.482 1.00 0.46 C ATOM 1098 CG ASP A 68 6.559 -4.056 4.643 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.144 -2.890 4.509 1.00 1.12 O ATOM 1100 OD2 ASP A 68 7.053 -4.486 5.710 1.00 2.01 O ATOM 0 H ASP A 68 6.922 -6.304 1.270 1.00 0.26 H new ATOM 0 HA ASP A 68 6.196 -3.523 1.953 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.378 -5.356 3.427 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.027 -5.898 3.668 1.00 0.46 H new ATOM 1105 N CYS A 69 8.479 -2.684 1.874 1.00 0.28 N ATOM 1106 CA CYS A 69 9.816 -2.123 1.831 1.00 0.26 C ATOM 1107 C CYS A 69 10.185 -1.535 3.184 1.00 0.30 C ATOM 1108 O CYS A 69 9.526 -0.621 3.664 1.00 0.35 O ATOM 1109 CB CYS A 69 9.885 -1.045 0.751 1.00 0.25 C ATOM 1110 SG CYS A 69 9.508 -1.653 -0.924 1.00 0.62 S ATOM 0 H CYS A 69 7.737 -2.017 1.663 1.00 0.28 H new ATOM 0 HA CYS A 69 10.527 -2.914 1.593 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.187 -0.247 1.003 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.883 -0.607 0.752 1.00 0.25 H new ATOM 1115 N ASN A 70 11.242 -2.054 3.789 1.00 0.35 N ATOM 1116 CA ASN A 70 11.678 -1.593 5.106 1.00 0.42 C ATOM 1117 C ASN A 70 13.105 -1.093 5.037 1.00 0.44 C ATOM 1118 O ASN A 70 13.930 -1.651 4.311 1.00 0.49 O ATOM 1119 CB ASN A 70 11.592 -2.718 6.142 1.00 0.51 C ATOM 1120 CG ASN A 70 10.174 -3.169 6.420 1.00 0.97 C ATOM 1121 OD1 ASN A 70 9.529 -2.686 7.350 1.00 1.93 O ATOM 1122 ND2 ASN A 70 9.685 -4.113 5.635 1.00 1.08 N ATOM 0 H ASN A 70 11.817 -2.796 3.391 1.00 0.35 H new ATOM 0 HA ASN A 70 11.015 -0.783 5.410 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.175 -3.570 5.792 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.048 -2.381 7.073 1.00 0.51 H new ATOM 0 HD21 ASN A 70 8.741 -4.467 5.790 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.252 -4.488 4.874 1.00 1.08 H new ATOM 1129 N VAL A 71 13.388 -0.043 5.787 1.00 0.47 N ATOM 1130 CA VAL A 71 14.723 0.522 5.848 1.00 0.51 C ATOM 1131 C VAL A 71 15.688 -0.452 6.511 1.00 0.56 C ATOM 1132 O VAL A 71 15.346 -1.136 7.480 1.00 0.60 O ATOM 1133 CB VAL A 71 14.712 1.879 6.594 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.439 1.696 8.080 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.011 2.637 6.369 1.00 0.82 C ATOM 0 H VAL A 71 12.702 0.440 6.368 1.00 0.47 H new ATOM 0 HA VAL A 71 15.065 0.700 4.828 1.00 0.51 H new ATOM 0 HB VAL A 71 13.898 2.474 6.180 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.438 2.668 8.572 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.468 1.220 8.216 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.215 1.068 8.518 1.00 0.90 H new ATOM 0 HG21 VAL A 71 15.976 3.586 6.904 1.00 0.82 H new ATOM 0 HG22 VAL A 71 16.847 2.043 6.738 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.142 2.826 5.304 1.00 0.82 H new ATOM 1145 N THR A 72 16.881 -0.538 5.951 1.00 0.58 N ATOM 1146 CA THR A 72 17.901 -1.430 6.462 1.00 0.64 C ATOM 1147 C THR A 72 18.811 -0.691 7.435 1.00 0.75 C ATOM 1148 O THR A 72 18.373 0.207 8.157 1.00 0.93 O ATOM 1149 CB THR A 72 18.742 -2.019 5.312 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.303 -0.965 4.517 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.898 -2.926 4.432 1.00 0.78 C ATOM 0 H THR A 72 17.167 0.004 5.136 1.00 0.58 H new ATOM 0 HA THR A 72 17.403 -2.247 6.985 1.00 0.64 H new ATOM 0 HB THR A 72 19.547 -2.609 5.751 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.591 -0.524 4.009 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.514 -3.329 3.628 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.500 -3.746 5.030 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.073 -2.355 4.006 1.00 0.78 H new ATOM 1159 N SER A 73 20.078 -1.059 7.433 1.00 0.86 N ATOM 1160 CA SER A 73 21.059 -0.449 8.307 1.00 1.02 C ATOM 1161 C SER A 73 21.495 0.890 7.739 1.00 0.90 C ATOM 1162 O SER A 73 21.913 1.791 8.467 1.00 0.99 O ATOM 1163 CB SER A 73 22.253 -1.387 8.466 1.00 1.33 C ATOM 1164 OG SER A 73 22.631 -1.941 7.215 1.00 1.87 O ATOM 0 H SER A 73 20.455 -1.788 6.827 1.00 0.86 H new ATOM 0 HA SER A 73 20.618 -0.276 9.289 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.094 -0.843 8.896 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.002 -2.187 9.162 1.00 1.33 H new ATOM 0 HG SER A 73 23.399 -2.537 7.340 1.00 1.87 H new ATOM 1170 N ARG A 74 21.383 1.011 6.427 1.00 0.81 N ATOM 1171 CA ARG A 74 21.687 2.241 5.751 1.00 0.76 C ATOM 1172 C ARG A 74 20.404 3.029 5.518 1.00 0.68 C ATOM 1173 O ARG A 74 19.405 2.481 5.045 1.00 0.63 O ATOM 1174 CB ARG A 74 22.397 1.952 4.432 1.00 0.88 C ATOM 1175 CG ARG A 74 22.343 3.112 3.465 1.00 1.40 C ATOM 1176 CD ARG A 74 23.060 2.801 2.166 1.00 1.55 C ATOM 1177 NE ARG A 74 22.791 3.816 1.146 1.00 2.35 N ATOM 1178 CZ ARG A 74 22.832 3.584 -0.164 1.00 2.74 C ATOM 1179 NH1 ARG A 74 23.234 2.406 -0.624 1.00 2.41 N ATOM 1180 NH2 ARG A 74 22.484 4.533 -1.023 1.00 3.76 N ATOM 0 H ARG A 74 21.079 0.257 5.811 1.00 0.81 H new ATOM 0 HA ARG A 74 22.354 2.840 6.371 1.00 0.76 H new ATOM 0 HB2 ARG A 74 23.439 1.703 4.634 1.00 0.88 H new ATOM 0 HB3 ARG A 74 21.944 1.077 3.966 1.00 0.88 H new ATOM 0 HG2 ARG A 74 21.303 3.361 3.255 1.00 1.40 H new ATOM 0 HG3 ARG A 74 22.794 3.990 3.927 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.133 2.742 2.347 1.00 1.55 H new ATOM 0 HD3 ARG A 74 22.744 1.824 1.800 1.00 1.55 H new ATOM 0 HE ARG A 74 22.558 4.759 1.458 1.00 2.35 H new ATOM 0 HH11 ARG A 74 23.514 1.673 0.027 1.00 2.41 H new ATOM 0 HH12 ARG A 74 23.263 2.234 -1.629 1.00 2.41 H new ATOM 0 HH21 ARG A 74 22.183 5.446 -0.681 1.00 3.76 H new ATOM 0 HH22 ARG A 74 22.517 4.350 -2.026 1.00 3.76 H new ATOM 1194 N PRO A 75 20.417 4.326 5.845 1.00 0.74 N ATOM 1195 CA PRO A 75 19.235 5.175 5.729 1.00 0.74 C ATOM 1196 C PRO A 75 18.807 5.377 4.278 1.00 0.65 C ATOM 1197 O PRO A 75 19.628 5.700 3.418 1.00 0.70 O ATOM 1198 CB PRO A 75 19.672 6.500 6.357 1.00 0.92 C ATOM 1199 CG PRO A 75 21.159 6.503 6.265 1.00 1.05 C ATOM 1200 CD PRO A 75 21.592 5.066 6.336 1.00 0.92 C ATOM 0 HA PRO A 75 18.368 4.732 6.219 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.243 7.349 5.825 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.341 6.573 7.393 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.489 6.962 5.333 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.597 7.081 7.079 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.470 4.881 5.717 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.852 4.775 7.354 1.00 0.92 H new ATOM 1208 N CYS A 76 17.521 5.161 4.024 1.00 0.57 N ATOM 1209 CA CYS A 76 16.927 5.334 2.697 1.00 0.52 C ATOM 1210 C CYS A 76 17.397 4.234 1.731 1.00 0.51 C ATOM 1211 O CYS A 76 17.283 4.365 0.511 1.00 0.55 O ATOM 1212 CB CYS A 76 17.216 6.741 2.142 1.00 0.58 C ATOM 1213 SG CYS A 76 16.219 7.198 0.686 1.00 1.55 S ATOM 0 H CYS A 76 16.855 4.859 4.735 1.00 0.57 H new ATOM 0 HA CYS A 76 15.846 5.238 2.796 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.040 7.472 2.931 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.272 6.804 1.878 1.00 0.58 H new ATOM 1218 N LYS A 77 17.926 3.146 2.285 1.00 0.50 N ATOM 1219 CA LYS A 77 18.161 1.933 1.525 1.00 0.50 C ATOM 1220 C LYS A 77 17.319 0.825 2.143 1.00 0.47 C ATOM 1221 O LYS A 77 17.370 0.602 3.355 1.00 0.51 O ATOM 1222 CB LYS A 77 19.648 1.566 1.531 1.00 0.60 C ATOM 1223 CG LYS A 77 20.005 0.455 0.559 1.00 1.30 C ATOM 1224 CD LYS A 77 19.752 -0.924 1.151 1.00 1.57 C ATOM 1225 CE LYS A 77 19.857 -2.017 0.101 1.00 2.24 C ATOM 1226 NZ LYS A 77 18.738 -1.964 -0.876 1.00 2.60 N ATOM 0 H LYS A 77 18.200 3.085 3.266 1.00 0.50 H new ATOM 0 HA LYS A 77 17.876 2.079 0.483 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.233 2.453 1.287 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.934 1.262 2.538 1.00 0.60 H new ATOM 0 HG2 LYS A 77 19.421 0.570 -0.354 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.055 0.542 0.279 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.471 -1.115 1.948 1.00 1.57 H new ATOM 0 HD3 LYS A 77 18.761 -0.949 1.604 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.805 -1.920 -0.429 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.864 -2.990 0.591 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 18.753 -2.819 -1.467 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 17.834 -1.912 -0.365 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 18.844 -1.124 -1.480 1.00 2.60 H new ATOM 1240 N TYR A 78 16.544 0.136 1.325 1.00 0.45 N ATOM 1241 CA TYR A 78 15.507 -0.737 1.848 1.00 0.47 C ATOM 1242 C TYR A 78 15.694 -2.181 1.425 1.00 0.52 C ATOM 1243 O TYR A 78 16.480 -2.492 0.532 1.00 0.59 O ATOM 1244 CB TYR A 78 14.145 -0.236 1.383 1.00 0.48 C ATOM 1245 CG TYR A 78 13.984 1.246 1.588 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.522 1.744 2.798 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.260 2.144 0.568 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.339 3.092 2.986 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.086 3.498 0.751 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.758 3.977 1.970 1.00 1.17 C ATOM 1251 OH TYR A 78 13.435 5.303 2.150 1.00 1.44 O ATOM 0 H TYR A 78 16.611 0.162 0.308 1.00 0.45 H new ATOM 0 HA TYR A 78 15.572 -0.711 2.936 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.015 -0.471 0.327 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.361 -0.763 1.926 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.303 1.060 3.605 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.616 1.777 -0.383 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.884 3.466 3.891 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.212 4.176 -0.080 1.00 0.99 H new ATOM 0 HH TYR A 78 12.667 5.373 2.754 1.00 1.44 H new ATOM 1261 N LYS A 79 14.964 -3.051 2.101 1.00 0.53 N ATOM 1262 CA LYS A 79 14.945 -4.468 1.797 1.00 0.58 C ATOM 1263 C LYS A 79 13.515 -4.888 1.485 1.00 0.46 C ATOM 1264 O LYS A 79 12.589 -4.556 2.234 1.00 0.47 O ATOM 1265 CB LYS A 79 15.491 -5.256 2.989 1.00 0.78 C ATOM 1266 CG LYS A 79 15.469 -6.761 2.810 1.00 1.39 C ATOM 1267 CD LYS A 79 16.117 -7.463 3.990 1.00 2.02 C ATOM 1268 CE LYS A 79 15.438 -7.089 5.297 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.138 -7.662 6.474 1.00 3.52 N ATOM 0 H LYS A 79 14.363 -2.790 2.883 1.00 0.53 H new ATOM 0 HA LYS A 79 15.574 -4.674 0.931 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.517 -4.940 3.178 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.910 -5.000 3.875 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.439 -7.102 2.701 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.992 -7.029 1.892 1.00 1.39 H new ATOM 0 HD2 LYS A 79 16.065 -8.542 3.847 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.173 -7.198 4.038 1.00 2.02 H new ATOM 0 HE2 LYS A 79 15.403 -6.003 5.389 1.00 2.63 H new ATOM 0 HE3 LYS A 79 14.406 -7.441 5.283 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 15.641 -7.382 7.344 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 16.149 -8.699 6.400 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.115 -7.307 6.504 1.00 3.52 H new ATOM 1283 N LEU A 80 13.335 -5.600 0.384 1.00 0.45 N ATOM 1284 CA LEU A 80 12.009 -5.990 -0.069 1.00 0.41 C ATOM 1285 C LEU A 80 11.491 -7.181 0.730 1.00 0.42 C ATOM 1286 O LEU A 80 12.246 -8.096 1.065 1.00 0.49 O ATOM 1287 CB LEU A 80 12.045 -6.328 -1.564 1.00 0.50 C ATOM 1288 CG LEU A 80 10.708 -6.688 -2.191 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.777 -5.491 -2.173 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.903 -7.198 -3.609 1.00 0.74 C ATOM 0 H LEU A 80 14.095 -5.921 -0.216 1.00 0.45 H new ATOM 0 HA LEU A 80 11.329 -5.153 0.090 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.459 -5.474 -2.101 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.731 -7.162 -1.713 1.00 0.50 H new ATOM 0 HG LEU A 80 10.253 -7.485 -1.603 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.824 -5.765 -2.625 1.00 1.34 H new ATOM 0 HD12 LEU A 80 9.612 -5.174 -1.143 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.225 -4.673 -2.737 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.935 -7.451 -4.041 1.00 0.74 H new ATOM 0 HD22 LEU A 80 11.379 -6.424 -4.212 1.00 0.74 H new ATOM 0 HD23 LEU A 80 11.536 -8.085 -3.593 1.00 0.74 H new ATOM 1302 N LYS A 81 10.204 -7.162 1.039 1.00 0.40 N ATOM 1303 CA LYS A 81 9.579 -8.251 1.770 1.00 0.44 C ATOM 1304 C LYS A 81 8.334 -8.723 1.035 1.00 0.38 C ATOM 1305 O LYS A 81 7.296 -8.061 1.060 1.00 0.36 O ATOM 1306 CB LYS A 81 9.209 -7.800 3.187 1.00 0.49 C ATOM 1307 CG LYS A 81 8.757 -8.934 4.094 1.00 0.60 C ATOM 1308 CD LYS A 81 8.368 -8.421 5.471 1.00 0.71 C ATOM 1309 CE LYS A 81 7.000 -7.758 5.452 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.745 -6.964 6.684 1.00 1.87 N ATOM 0 H LYS A 81 9.571 -6.401 0.794 1.00 0.40 H new ATOM 0 HA LYS A 81 10.288 -9.076 1.839 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.071 -7.308 3.638 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.414 -7.057 3.126 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.908 -9.447 3.642 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.558 -9.667 4.190 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.363 -9.248 6.181 1.00 0.71 H new ATOM 0 HD3 LYS A 81 9.115 -7.707 5.819 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.925 -7.108 4.580 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.229 -8.522 5.347 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 5.860 -7.284 7.126 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.532 -7.095 7.351 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.665 -5.957 6.437 1.00 1.87 H new ATOM 1324 N LYS A 82 8.455 -9.853 0.359 1.00 0.40 N ATOM 1325 CA LYS A 82 7.341 -10.438 -0.363 1.00 0.37 C ATOM 1326 C LYS A 82 6.516 -11.319 0.561 1.00 0.36 C ATOM 1327 O LYS A 82 7.022 -12.290 1.120 1.00 0.46 O ATOM 1328 CB LYS A 82 7.854 -11.260 -1.544 1.00 0.47 C ATOM 1329 CG LYS A 82 8.468 -10.422 -2.649 1.00 0.54 C ATOM 1330 CD LYS A 82 9.020 -11.299 -3.756 1.00 0.76 C ATOM 1331 CE LYS A 82 9.293 -10.497 -5.017 1.00 0.90 C ATOM 1332 NZ LYS A 82 9.808 -11.351 -6.120 1.00 1.10 N ATOM 0 H LYS A 82 9.322 -10.386 0.296 1.00 0.40 H new ATOM 0 HA LYS A 82 6.709 -9.633 -0.738 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.597 -11.972 -1.184 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.029 -11.841 -1.956 1.00 0.47 H new ATOM 0 HG2 LYS A 82 7.717 -9.746 -3.057 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.266 -9.803 -2.239 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.941 -11.775 -3.420 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.311 -12.097 -3.977 1.00 0.76 H new ATOM 0 HE2 LYS A 82 8.376 -10.004 -5.339 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.017 -9.712 -4.798 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 9.710 -10.847 -7.024 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 10.811 -11.568 -5.951 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 9.263 -12.236 -6.157 1.00 1.10 H new ATOM 1346 N SER A 83 5.256 -10.964 0.740 1.00 0.31 N ATOM 1347 CA SER A 83 4.370 -11.737 1.592 1.00 0.36 C ATOM 1348 C SER A 83 2.936 -11.659 1.082 1.00 0.31 C ATOM 1349 O SER A 83 2.514 -10.636 0.544 1.00 0.50 O ATOM 1350 CB SER A 83 4.445 -11.220 3.033 1.00 0.46 C ATOM 1351 OG SER A 83 5.783 -11.228 3.508 1.00 1.12 O ATOM 0 H SER A 83 4.824 -10.147 0.308 1.00 0.31 H new ATOM 0 HA SER A 83 4.689 -12.779 1.571 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.044 -10.207 3.081 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.823 -11.840 3.678 1.00 0.46 H new ATOM 0 HG SER A 83 5.805 -10.893 4.429 1.00 1.12 H new ATOM 1357 N THR A 84 2.205 -12.748 1.223 1.00 0.25 N ATOM 1358 CA THR A 84 0.793 -12.760 0.890 1.00 0.23 C ATOM 1359 C THR A 84 -0.015 -12.670 2.176 1.00 0.22 C ATOM 1360 O THR A 84 0.015 -13.584 3.002 1.00 0.29 O ATOM 1361 CB THR A 84 0.421 -14.042 0.118 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.473 -14.364 -0.802 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.880 -13.863 -0.654 1.00 0.27 C ATOM 0 H THR A 84 2.566 -13.638 1.567 1.00 0.25 H new ATOM 0 HA THR A 84 0.569 -11.907 0.249 1.00 0.23 H new ATOM 0 HB THR A 84 0.287 -14.848 0.839 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.240 -15.180 -1.293 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.116 -14.784 -1.188 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.687 -13.630 0.041 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.770 -13.047 -1.368 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.717 -11.561 2.357 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.453 -11.328 3.588 1.00 0.18 C ATOM 1373 C ASN A 85 -2.624 -10.399 3.331 1.00 0.17 C ATOM 1374 O ASN A 85 -2.641 -9.673 2.337 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.554 -10.724 4.665 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.017 -11.082 6.062 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -0.612 -10.295 7.038 1.00 0.61 O flip ATOM 1378 ND2 ASN A 85 -1.713 -12.075 6.261 1.00 0.37 N flip ATOM 0 H ASN A 85 -0.792 -10.812 1.669 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.820 -12.291 3.942 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.468 -11.075 4.522 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.537 -9.640 4.556 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -2.005 -12.658 5.477 1.00 0.37 H new ATOM 0 HD22 ASN A 85 -1.998 -12.316 7.210 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.617 -10.450 4.206 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.730 -9.524 4.142 1.00 0.19 C ATOM 1387 C LYS A 86 -4.255 -8.150 4.600 1.00 0.18 C ATOM 1388 O LYS A 86 -3.112 -8.004 5.027 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.866 -10.005 5.045 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.100 -11.508 5.001 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.327 -11.882 5.803 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.414 -13.378 6.057 1.00 0.55 C ATOM 1393 NZ LYS A 86 -7.859 -14.131 4.856 1.00 1.17 N ATOM 0 H LYS A 86 -3.672 -11.125 4.969 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.099 -9.467 3.118 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.648 -9.712 6.072 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.786 -9.496 4.756 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.222 -11.832 3.967 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.228 -12.029 5.397 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.310 -11.354 6.756 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.220 -11.553 5.272 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.439 -13.747 6.373 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.107 -13.565 6.877 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.333 -15.008 5.152 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.522 -13.548 4.306 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.034 -14.365 4.268 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.109 -7.148 4.509 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.774 -5.827 5.020 1.00 0.18 C ATOM 1409 C PHE A 87 -6.032 -5.009 5.259 1.00 0.18 C ATOM 1410 O PHE A 87 -7.053 -5.224 4.609 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.821 -5.092 4.067 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.345 -4.917 2.668 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.135 -3.829 2.336 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.039 -5.839 1.680 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.611 -3.664 1.049 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.512 -5.678 0.393 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.299 -4.591 0.077 1.00 0.20 C ATOM 0 H PHE A 87 -6.036 -7.220 4.089 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.262 -5.955 5.974 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.599 -4.109 4.483 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.880 -5.639 4.022 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.382 -3.100 3.093 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.423 -6.693 1.919 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.226 -2.811 0.805 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.265 -6.404 -0.367 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.670 -4.466 -0.929 1.00 0.20 H new ATOM 1427 N CYS A 88 -5.971 -4.096 6.216 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.103 -3.246 6.518 1.00 0.20 C ATOM 1429 C CYS A 88 -6.867 -1.864 5.931 1.00 0.20 C ATOM 1430 O CYS A 88 -5.838 -1.233 6.198 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.318 -3.131 8.030 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.035 -2.737 8.505 1.00 0.49 S ATOM 0 H CYS A 88 -5.148 -3.928 6.795 1.00 0.20 H new ATOM 0 HA CYS A 88 -7.996 -3.691 6.078 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.028 -4.070 8.501 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.656 -2.359 8.423 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.805 -1.401 5.128 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.710 -0.079 4.543 1.00 0.22 C ATOM 1439 C VAL A 89 -8.800 0.821 5.095 1.00 0.24 C ATOM 1440 O VAL A 89 -9.922 0.375 5.347 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.796 -0.113 3.000 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.494 -0.623 2.407 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -8.967 -0.972 2.534 1.00 0.20 C ATOM 0 H VAL A 89 -8.642 -1.922 4.866 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.732 0.319 4.812 1.00 0.22 H new ATOM 0 HB VAL A 89 -7.964 0.905 2.649 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.572 -0.641 1.320 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.677 0.036 2.702 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.298 -1.631 2.773 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.003 -0.978 1.445 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.838 -1.991 2.898 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -9.898 -0.562 2.926 1.00 0.20 H new ATOM 1453 N THR A 90 -8.462 2.079 5.318 1.00 0.26 N ATOM 1454 CA THR A 90 -9.440 3.046 5.759 1.00 0.28 C ATOM 1455 C THR A 90 -10.240 3.529 4.556 1.00 0.25 C ATOM 1456 O THR A 90 -9.723 4.269 3.715 1.00 0.25 O ATOM 1457 CB THR A 90 -8.774 4.253 6.446 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.960 3.806 7.538 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.818 5.235 6.954 1.00 0.40 C ATOM 0 H THR A 90 -7.519 2.450 5.200 1.00 0.26 H new ATOM 0 HA THR A 90 -10.094 2.563 6.485 1.00 0.28 H new ATOM 0 HB THR A 90 -8.150 4.762 5.711 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.534 3.482 8.263 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.321 6.078 7.435 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.416 5.596 6.117 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.466 4.737 7.675 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.481 3.092 4.464 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.328 3.438 3.340 1.00 0.22 C ATOM 1469 C CYS A 91 -13.132 4.694 3.618 1.00 0.25 C ATOM 1470 O CYS A 91 -13.707 4.848 4.693 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.262 2.276 3.035 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.379 0.730 2.697 1.00 0.20 S ATOM 0 H CYS A 91 -11.927 2.493 5.159 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.692 3.636 2.477 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -13.935 2.127 3.879 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.881 2.530 2.175 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.143 5.595 2.650 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.936 6.802 2.743 1.00 0.29 C ATOM 1479 C GLU A 92 -14.388 7.217 1.348 1.00 0.27 C ATOM 1480 O GLU A 92 -13.563 7.367 0.444 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.124 7.918 3.395 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.975 9.057 3.923 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.143 10.202 4.452 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.673 10.114 5.606 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.952 11.198 3.719 1.00 0.76 O ATOM 0 H GLU A 92 -12.607 5.509 1.787 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.813 6.612 3.362 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.541 7.500 4.216 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.414 8.312 2.668 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.624 9.421 3.127 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.622 8.685 4.717 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.698 7.379 1.177 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.290 7.727 -0.120 1.00 0.31 C ATOM 1494 C ASN A 93 -16.007 6.636 -1.150 1.00 0.28 C ATOM 1495 O ASN A 93 -15.770 6.915 -2.327 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.773 9.082 -0.618 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.089 10.213 0.337 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -15.134 10.552 1.188 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -17.174 10.798 0.296 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.380 7.274 1.928 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.369 7.806 0.015 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.694 9.024 -0.762 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.214 9.299 -1.591 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -17.885 10.507 -0.375 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -17.360 11.573 0.933 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.047 5.393 -0.677 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.846 4.205 -1.507 1.00 0.25 C ATOM 1508 C GLN A 94 -14.439 4.162 -2.085 1.00 0.22 C ATOM 1509 O GLN A 94 -14.202 3.569 -3.138 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.883 4.130 -2.629 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.318 4.146 -2.135 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.307 3.803 -3.226 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.389 3.283 -2.963 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.925 4.062 -4.459 1.00 0.48 N ATOM 0 H GLN A 94 -16.222 5.178 0.305 1.00 0.26 H new ATOM 0 HA GLN A 94 -15.975 3.336 -0.861 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.732 4.969 -3.308 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.717 3.220 -3.205 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.425 3.436 -1.315 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.551 5.133 -1.735 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.018 4.495 -4.632 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.536 3.830 -5.242 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.504 4.778 -1.382 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.113 4.764 -1.797 1.00 0.19 C ATOM 1525 C ALA A 95 -11.188 4.697 -0.588 1.00 0.17 C ATOM 1526 O ALA A 95 -11.392 5.406 0.398 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.802 5.993 -2.639 1.00 0.21 C ATOM 0 H ALA A 95 -13.684 5.294 -0.521 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.944 3.874 -2.403 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.756 5.970 -2.944 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.438 5.998 -3.524 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.990 6.893 -2.053 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.195 3.801 -0.630 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.151 3.720 0.398 1.00 0.17 C ATOM 1535 C PRO A 96 -8.369 5.030 0.523 1.00 0.19 C ATOM 1536 O PRO A 96 -7.754 5.489 -0.440 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.232 2.596 -0.093 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.038 1.818 -1.078 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.038 2.769 -1.669 1.00 0.17 C ATOM 0 HA PRO A 96 -9.571 3.533 1.386 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.332 3.000 -0.556 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -7.909 1.965 0.735 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.399 1.398 -1.854 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.540 0.982 -0.592 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.680 3.195 -2.606 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.984 2.272 -1.886 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.408 5.637 1.704 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.732 6.914 1.929 1.00 0.24 C ATOM 1549 C VAL A 97 -6.532 6.761 2.865 1.00 0.27 C ATOM 1550 O VAL A 97 -5.558 7.510 2.775 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.698 7.980 2.499 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.834 8.254 1.529 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.250 7.550 3.848 1.00 0.35 C ATOM 0 H VAL A 97 -8.898 5.269 2.519 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.376 7.249 0.955 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.131 8.901 2.638 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.500 9.006 1.952 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.427 8.618 0.586 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.392 7.334 1.353 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -9.926 8.317 4.226 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.793 6.611 3.737 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.428 7.413 4.550 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.605 5.792 3.766 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.531 5.544 4.723 1.00 0.35 C ATOM 1565 C HIS A 98 -5.217 4.061 4.779 1.00 0.31 C ATOM 1566 O HIS A 98 -6.073 3.228 4.476 1.00 0.31 O ATOM 1567 CB HIS A 98 -5.912 6.032 6.126 1.00 0.42 C ATOM 1568 CG HIS A 98 -5.751 7.504 6.349 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -6.430 8.563 5.849 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -4.821 8.027 7.215 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -5.906 9.696 6.420 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -4.934 9.340 7.240 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.401 5.160 3.856 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.653 6.097 4.388 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.950 5.762 6.319 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.303 5.500 6.857 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -4.108 7.451 7.787 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -6.233 10.708 6.231 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -4.365 9.975 7.800 1.00 0.82 H new ATOM 1581 N PHE A 99 -3.998 3.728 5.166 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.598 2.340 5.284 1.00 0.29 C ATOM 1583 C PHE A 99 -3.412 1.986 6.751 1.00 0.29 C ATOM 1584 O PHE A 99 -2.604 2.601 7.446 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.311 2.080 4.501 1.00 0.31 C ATOM 1586 CG PHE A 99 -1.958 0.624 4.396 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.656 -0.215 3.543 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -0.927 0.097 5.155 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.331 -1.556 3.449 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.596 -1.241 5.066 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.314 -2.072 4.189 1.00 0.31 C ATOM 0 H PHE A 99 -3.269 4.401 5.403 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.380 1.709 4.862 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.415 2.494 3.498 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.489 2.611 4.981 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.463 0.182 2.945 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.375 0.740 5.825 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -2.889 -2.198 2.783 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.207 -1.645 5.665 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.058 -3.118 4.103 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.169 1.009 7.217 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.148 0.634 8.621 1.00 0.28 C ATOM 1603 C VAL A 100 -3.007 -0.344 8.913 1.00 0.28 C ATOM 1604 O VAL A 100 -2.073 -0.020 9.643 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.496 0.009 9.043 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.469 -0.396 10.506 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.649 0.970 8.766 1.00 0.29 C ATOM 0 H VAL A 100 -4.808 0.459 6.643 1.00 0.28 H new ATOM 0 HA VAL A 100 -3.984 1.542 9.201 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.654 -0.890 8.447 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.429 -0.834 10.780 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.677 -1.128 10.666 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.281 0.482 11.123 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.588 0.509 9.071 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.498 1.891 9.328 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.685 1.197 7.701 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.089 -1.534 8.336 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.061 -2.539 8.532 1.00 0.29 C ATOM 1619 C GLY A 101 -2.446 -3.840 7.881 1.00 0.25 C ATOM 1620 O GLY A 101 -3.580 -3.984 7.427 1.00 0.28 O ATOM 0 H GLY A 101 -3.856 -1.824 7.730 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.118 -2.185 8.116 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -1.900 -2.696 9.599 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.528 -4.792 7.836 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.799 -6.045 7.157 1.00 0.22 C ATOM 1626 C VAL A 102 -2.227 -7.130 8.145 1.00 0.24 C ATOM 1627 O VAL A 102 -1.931 -7.060 9.340 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.602 -6.530 6.309 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.024 -5.372 5.551 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.439 -7.253 7.143 1.00 0.25 C ATOM 0 H VAL A 102 -0.601 -4.722 8.256 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.624 -5.851 6.472 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.991 -7.250 5.589 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.865 -5.736 4.960 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.719 -4.927 4.889 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.376 -4.621 6.259 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.260 -7.574 6.502 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.820 -6.581 7.912 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.014 -8.124 7.616 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.947 -8.114 7.633 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.485 -9.171 8.463 1.00 0.29 C ATOM 1642 C GLY A 103 -4.882 -8.842 8.932 1.00 0.28 C ATOM 1643 O GLY A 103 -5.866 -9.361 8.413 1.00 0.34 O ATOM 0 H GLY A 103 -3.171 -8.200 6.642 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.498 -10.106 7.902 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.836 -9.325 9.325 1.00 0.29 H new ATOM 1647 N SER A 104 -4.957 -7.971 9.921 1.00 0.33 N ATOM 1648 CA SER A 104 -6.213 -7.448 10.417 1.00 0.32 C ATOM 1649 C SER A 104 -5.948 -6.106 11.069 1.00 0.39 C ATOM 1650 O SER A 104 -4.816 -5.820 11.462 1.00 0.59 O ATOM 1651 CB SER A 104 -6.838 -8.408 11.428 1.00 0.45 C ATOM 1652 OG SER A 104 -7.221 -9.633 10.822 1.00 1.38 O ATOM 0 H SER A 104 -4.138 -7.604 10.406 1.00 0.33 H new ATOM 0 HA SER A 104 -6.913 -7.333 9.589 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.127 -8.606 12.230 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.710 -7.939 11.884 1.00 0.45 H new ATOM 0 HG SER A 104 -6.868 -9.670 9.908 1.00 1.38 H new ATOM 1658 N CYS A 105 -6.964 -5.275 11.165 1.00 0.39 N ATOM 1659 CA CYS A 105 -6.801 -3.989 11.805 1.00 0.53 C ATOM 1660 C CYS A 105 -7.188 -4.067 13.272 1.00 0.48 C ATOM 1661 O CYS A 105 -8.382 -3.896 13.583 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.599 -2.916 11.086 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.173 -3.472 10.384 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.292 -4.309 14.106 1.00 1.20 O ATOM 0 H CYS A 105 -7.902 -5.465 10.812 1.00 0.39 H new ATOM 0 HA CYS A 105 -5.748 -3.713 11.747 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -7.797 -2.103 11.784 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -6.986 -2.505 10.284 1.00 0.82 H new