USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 747 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 101 ASN : amide:sc= -0.403 X(o=0.93,f=0.91) USER MOD Set 1.2: A 103 GLN : amide:sc= 1.34 K(o=0.93,f=-0.75) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 66 ASN : amide:sc= 1.04 K(o=2.2,f=-12!) USER MOD Set 3.1: A 50 ASN : amide:sc= 0.342 K(o=-0.11,f=-1.3) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.45 K(o=-0.11,f=-1.3) USER MOD Set 4.1: A 44 SER OG : rot -33:sc= 0.807 USER MOD Set 4.2: A 46 ASN : amide:sc= -0.586 K(o=1.1,f=-1.6!) USER MOD Set 4.3: A 48 ASN : amide:sc= 0.861 X(o=1.1,f=1.3) USER MOD Set 5.1: A 29 ASN : amide:sc= -2.52! C(o=-2!,f=-8.7!) USER MOD Set 5.2: A 34 LYS NZ :NH3+ 164:sc= 0.516! (180deg=-0.555!) USER MOD Set 6.1: A 16 TYR OH : rot 180:sc= 0.0579 USER MOD Set 6.2: A 19 SER OG : rot -95:sc= 1.28 USER MOD Set 7.1: A 13 SER OG : rot -92:sc= 1.15 USER MOD Set 7.2: A 24 LYS NZ :NH3+ 142:sc= 1.06 (180deg=-0.00459) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 157:sc= 0.74 USER MOD Single : A 10 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.11) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.566 (180deg=0.444) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 40 TYR OH : rot -90:sc= -1.13 USER MOD Single : A 49 ASN : amide:sc= 0.104 K(o=0.1,f=-1.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 65 SER OG : rot 180:sc= -0.039 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0874 USER MOD Single : A 71 THR OG1 : rot 38:sc=-0.00151 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.22) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 0.808 (180deg=-0.274) USER MOD Single : A 83 TYR OH : rot -94:sc= 0.0042 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 67:sc= -1.76! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.669 K(o=-0.67,f=-4.2!) USER MOD Single : A 97 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.6!) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 99 SER OG : rot -7:sc= 1.01 USER MOD Single : A 102 TYR OH : rot 48:sc= 1.28 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0377 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -3.973 13.144 8.454 1.00 0.00 N ATOM 44 CA PRO A 4 -3.015 12.185 9.015 1.00 0.00 C ATOM 45 C PRO A 4 -3.362 11.789 10.441 1.00 0.00 C ATOM 46 O PRO A 4 -3.740 12.632 11.259 1.00 0.00 O ATOM 47 CB PRO A 4 -1.680 12.932 8.995 1.00 0.00 C ATOM 48 CG PRO A 4 -1.860 14.028 8.004 1.00 0.00 C ATOM 49 CD PRO A 4 -3.313 14.404 8.069 1.00 0.00 C ATOM 0 HA PRO A 4 -3.006 11.257 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.436 13.329 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.863 12.271 8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.224 14.880 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.586 13.698 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.492 15.192 8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.677 14.772 7.109 1.00 0.00 H new ATOM 57 N SER A 5 -3.224 10.509 10.735 1.00 0.00 N ATOM 58 CA SER A 5 -3.550 9.997 12.053 1.00 0.00 C ATOM 59 C SER A 5 -2.402 9.153 12.603 1.00 0.00 C ATOM 60 O SER A 5 -1.899 9.414 13.696 1.00 0.00 O ATOM 61 CB SER A 5 -4.844 9.175 11.995 1.00 0.00 C ATOM 62 OG SER A 5 -5.312 8.856 13.295 1.00 0.00 O ATOM 0 H SER A 5 -2.888 9.805 10.078 1.00 0.00 H new ATOM 0 HA SER A 5 -3.702 10.841 12.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.609 9.736 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.669 8.257 11.434 1.00 0.00 H new ATOM 0 HG SER A 5 -6.138 8.334 13.226 1.00 0.00 H new ATOM 68 N SER A 6 -1.974 8.155 11.839 1.00 0.00 N ATOM 69 CA SER A 6 -0.916 7.265 12.284 1.00 0.00 C ATOM 70 C SER A 6 0.375 7.529 11.503 1.00 0.00 C ATOM 71 O SER A 6 1.304 8.155 12.023 1.00 0.00 O ATOM 72 CB SER A 6 -1.362 5.804 12.143 1.00 0.00 C ATOM 73 OG SER A 6 -0.376 4.908 12.632 1.00 0.00 O ATOM 0 H SER A 6 -2.344 7.945 10.912 1.00 0.00 H new ATOM 0 HA SER A 6 -0.712 7.459 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.294 5.653 12.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.566 5.585 11.095 1.00 0.00 H new ATOM 0 HG SER A 6 -0.692 3.986 12.529 1.00 0.00 H new ATOM 79 N ALA A 7 0.424 7.084 10.252 1.00 0.00 N ATOM 80 CA ALA A 7 1.610 7.253 9.433 1.00 0.00 C ATOM 81 C ALA A 7 1.336 8.173 8.251 1.00 0.00 C ATOM 82 O ALA A 7 0.258 8.768 8.156 1.00 0.00 O ATOM 83 CB ALA A 7 2.104 5.902 8.942 1.00 0.00 C ATOM 0 H ALA A 7 -0.346 6.604 9.786 1.00 0.00 H new ATOM 0 HA ALA A 7 2.383 7.714 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.994 6.041 8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.347 5.271 9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.325 5.424 8.348 1.00 0.00 H new ATOM 89 N SER A 8 2.306 8.289 7.356 1.00 0.00 N ATOM 90 CA SER A 8 2.149 9.095 6.156 1.00 0.00 C ATOM 91 C SER A 8 1.076 8.498 5.246 1.00 0.00 C ATOM 92 O SER A 8 0.311 9.218 4.604 1.00 0.00 O ATOM 93 CB SER A 8 3.481 9.167 5.411 1.00 0.00 C ATOM 94 OG SER A 8 4.543 9.451 6.308 1.00 0.00 O ATOM 0 H SER A 8 3.214 7.832 7.440 1.00 0.00 H new ATOM 0 HA SER A 8 1.838 10.099 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.671 8.222 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.432 9.938 4.642 1.00 0.00 H new ATOM 0 HG SER A 8 5.388 9.135 5.925 1.00 0.00 H new ATOM 100 N VAL A 9 1.017 7.176 5.213 1.00 0.00 N ATOM 101 CA VAL A 9 0.094 6.474 4.341 1.00 0.00 C ATOM 102 C VAL A 9 -0.795 5.536 5.149 1.00 0.00 C ATOM 103 O VAL A 9 -0.415 5.079 6.227 1.00 0.00 O ATOM 104 CB VAL A 9 0.864 5.696 3.246 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.047 4.972 3.844 1.00 0.00 C ATOM 106 CG2 VAL A 9 -0.028 4.708 2.504 1.00 0.00 C ATOM 0 H VAL A 9 1.602 6.566 5.784 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.544 7.209 3.850 1.00 0.00 H new ATOM 0 HB VAL A 9 1.216 6.431 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.576 4.431 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.721 5.694 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.699 4.268 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.558 4.187 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.435 3.984 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.846 5.246 2.024 1.00 0.00 H new ATOM 116 N GLN A 10 -1.983 5.296 4.629 1.00 0.00 N ATOM 117 CA GLN A 10 -2.965 4.439 5.270 1.00 0.00 C ATOM 118 C GLN A 10 -3.703 3.641 4.202 1.00 0.00 C ATOM 119 O GLN A 10 -4.122 4.197 3.187 1.00 0.00 O ATOM 120 CB GLN A 10 -3.957 5.299 6.053 1.00 0.00 C ATOM 121 CG GLN A 10 -4.998 4.507 6.825 1.00 0.00 C ATOM 122 CD GLN A 10 -6.142 5.379 7.302 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.735 5.134 8.351 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.469 6.401 6.525 1.00 0.00 N ATOM 0 H GLN A 10 -2.298 5.692 3.743 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.467 3.754 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.403 5.927 6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.467 5.967 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.390 3.711 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.526 4.029 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.953 6.571 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.237 7.018 6.790 1.00 0.00 H new ATOM 133 N LEU A 11 -3.839 2.344 4.405 1.00 0.00 N ATOM 134 CA LEU A 11 -4.586 1.520 3.470 1.00 0.00 C ATOM 135 C LEU A 11 -6.074 1.821 3.573 1.00 0.00 C ATOM 136 O LEU A 11 -6.624 1.941 4.669 1.00 0.00 O ATOM 137 CB LEU A 11 -4.350 0.041 3.737 1.00 0.00 C ATOM 138 CG LEU A 11 -4.963 -0.895 2.696 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.269 -0.726 1.353 1.00 0.00 C ATOM 140 CD2 LEU A 11 -4.873 -2.333 3.173 1.00 0.00 C ATOM 0 H LEU A 11 -3.447 1.841 5.201 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.236 1.755 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.276 -0.140 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.758 -0.208 4.717 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.014 -0.638 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.718 -1.400 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.381 0.303 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.210 -0.960 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.312 -2.993 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.827 -2.601 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.415 -2.439 4.113 1.00 0.00 H new ATOM 152 N ASP A 12 -6.718 1.939 2.422 1.00 0.00 N ATOM 153 CA ASP A 12 -8.136 2.254 2.365 1.00 0.00 C ATOM 154 C ASP A 12 -8.974 0.992 2.421 1.00 0.00 C ATOM 155 O ASP A 12 -9.793 0.810 3.323 1.00 0.00 O ATOM 156 CB ASP A 12 -8.458 3.010 1.079 1.00 0.00 C ATOM 157 CG ASP A 12 -9.911 3.438 1.008 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.269 4.448 1.647 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.696 2.768 0.301 1.00 0.00 O ATOM 0 H ASP A 12 -6.277 1.820 1.510 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.374 2.877 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.819 3.890 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.226 2.378 0.222 1.00 0.00 H new ATOM 164 N SER A 13 -8.741 0.120 1.453 1.00 0.00 N ATOM 165 CA SER A 13 -9.539 -1.099 1.303 1.00 0.00 C ATOM 166 C SER A 13 -9.069 -1.941 0.125 1.00 0.00 C ATOM 167 O SER A 13 -8.374 -1.456 -0.772 1.00 0.00 O ATOM 168 CB SER A 13 -11.017 -0.741 1.121 1.00 0.00 C ATOM 169 OG SER A 13 -11.190 0.200 0.073 1.00 0.00 O ATOM 0 H SER A 13 -8.005 0.229 0.755 1.00 0.00 H new ATOM 0 HA SER A 13 -9.411 -1.688 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.588 -1.643 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.412 -0.331 2.051 1.00 0.00 H new ATOM 0 HG SER A 13 -11.164 1.108 0.441 1.00 0.00 H new ATOM 175 N TYR A 14 -9.446 -3.213 0.158 1.00 0.00 N ATOM 176 CA TYR A 14 -9.118 -4.167 -0.889 1.00 0.00 C ATOM 177 C TYR A 14 -10.112 -5.320 -0.855 1.00 0.00 C ATOM 178 O TYR A 14 -10.817 -5.511 0.138 1.00 0.00 O ATOM 179 CB TYR A 14 -7.693 -4.678 -0.700 1.00 0.00 C ATOM 180 CG TYR A 14 -7.460 -5.358 0.626 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.778 -6.687 0.794 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.900 -4.677 1.691 1.00 0.00 C ATOM 183 CE1 TYR A 14 -7.548 -7.335 1.986 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.668 -5.309 2.896 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.995 -6.645 3.038 1.00 0.00 C ATOM 186 OH TYR A 14 -6.754 -7.297 4.227 1.00 0.00 O ATOM 0 H TYR A 14 -9.993 -3.613 0.920 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.180 -3.678 -1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.459 -5.378 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.001 -3.841 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.218 -7.233 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.640 -3.635 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.801 -8.379 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.234 -4.764 3.722 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.360 -6.671 4.870 1.00 0.00 H new ATOM 196 N ASN A 15 -10.167 -6.080 -1.933 1.00 0.00 N ATOM 197 CA ASN A 15 -11.046 -7.237 -2.005 1.00 0.00 C ATOM 198 C ASN A 15 -10.303 -8.439 -2.557 1.00 0.00 C ATOM 199 O ASN A 15 -9.282 -8.297 -3.234 1.00 0.00 O ATOM 200 CB ASN A 15 -12.286 -6.955 -2.864 1.00 0.00 C ATOM 201 CG ASN A 15 -13.307 -6.079 -2.162 1.00 0.00 C ATOM 202 OD1 ASN A 15 -14.177 -6.575 -1.444 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.222 -4.773 -2.370 1.00 0.00 N ATOM 0 H ASN A 15 -9.613 -5.918 -2.774 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.378 -7.454 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.977 -6.472 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.754 -7.900 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.891 -4.142 -1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.488 -4.399 -2.971 1.00 0.00 H new ATOM 210 N TYR A 16 -10.834 -9.611 -2.263 1.00 0.00 N ATOM 211 CA TYR A 16 -10.250 -10.872 -2.688 1.00 0.00 C ATOM 212 C TYR A 16 -11.372 -11.805 -3.118 1.00 0.00 C ATOM 213 O TYR A 16 -12.417 -11.871 -2.467 1.00 0.00 O ATOM 214 CB TYR A 16 -9.471 -11.512 -1.535 1.00 0.00 C ATOM 215 CG TYR A 16 -8.326 -12.430 -1.938 1.00 0.00 C ATOM 216 CD1 TYR A 16 -7.765 -12.386 -3.205 1.00 0.00 C ATOM 217 CD2 TYR A 16 -7.792 -13.330 -1.028 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.709 -13.205 -3.553 1.00 0.00 C ATOM 219 CE2 TYR A 16 -6.736 -14.157 -1.370 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.200 -14.089 -2.633 1.00 0.00 C ATOM 221 OH TYR A 16 -5.139 -14.897 -2.975 1.00 0.00 O ATOM 0 H TYR A 16 -11.690 -9.717 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.565 -10.694 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.070 -10.717 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.169 -12.081 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.162 -11.697 -3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.208 -13.387 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.285 -13.151 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.335 -14.852 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.899 -15.463 -2.212 1.00 0.00 H new ATOM 231 N ASP A 17 -11.158 -12.518 -4.203 1.00 0.00 N ATOM 232 CA ASP A 17 -12.168 -13.420 -4.747 1.00 0.00 C ATOM 233 C ASP A 17 -11.529 -14.330 -5.774 1.00 0.00 C ATOM 234 O ASP A 17 -10.819 -13.855 -6.663 1.00 0.00 O ATOM 235 CB ASP A 17 -13.327 -12.633 -5.370 1.00 0.00 C ATOM 236 CG ASP A 17 -14.444 -13.531 -5.864 1.00 0.00 C ATOM 237 OD1 ASP A 17 -15.175 -14.096 -5.022 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.609 -13.661 -7.095 1.00 0.00 O ATOM 0 H ASP A 17 -10.288 -12.494 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.576 -14.024 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.726 -11.936 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.951 -12.037 -6.201 1.00 0.00 H new ATOM 243 N GLY A 18 -11.775 -15.633 -5.649 1.00 0.00 N ATOM 244 CA GLY A 18 -11.017 -16.598 -6.419 1.00 0.00 C ATOM 245 C GLY A 18 -9.544 -16.420 -6.137 1.00 0.00 C ATOM 246 O GLY A 18 -9.055 -16.806 -5.073 1.00 0.00 O ATOM 0 H GLY A 18 -12.482 -16.033 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.328 -17.610 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.213 -16.466 -7.483 1.00 0.00 H new ATOM 250 N SER A 19 -8.837 -15.819 -7.074 1.00 0.00 N ATOM 251 CA SER A 19 -7.552 -15.254 -6.778 1.00 0.00 C ATOM 252 C SER A 19 -7.413 -13.937 -7.534 1.00 0.00 C ATOM 253 O SER A 19 -6.884 -13.884 -8.646 1.00 0.00 O ATOM 254 CB SER A 19 -6.474 -16.239 -7.198 1.00 0.00 C ATOM 255 OG SER A 19 -5.206 -15.870 -6.688 1.00 0.00 O ATOM 0 H SER A 19 -9.137 -15.714 -8.043 1.00 0.00 H new ATOM 0 HA SER A 19 -7.448 -15.059 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.733 -17.237 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.429 -16.289 -8.286 1.00 0.00 H new ATOM 0 HG SER A 19 -4.718 -15.356 -7.365 1.00 0.00 H new ATOM 261 N THR A 20 -7.925 -12.885 -6.925 1.00 0.00 N ATOM 262 CA THR A 20 -7.774 -11.533 -7.429 1.00 0.00 C ATOM 263 C THR A 20 -7.708 -10.563 -6.261 1.00 0.00 C ATOM 264 O THR A 20 -8.560 -10.609 -5.376 1.00 0.00 O ATOM 265 CB THR A 20 -8.921 -11.145 -8.381 1.00 0.00 C ATOM 266 OG1 THR A 20 -8.952 -12.056 -9.489 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.746 -9.721 -8.889 1.00 0.00 C ATOM 0 H THR A 20 -8.462 -12.945 -6.060 1.00 0.00 H new ATOM 0 HA THR A 20 -6.848 -11.485 -8.002 1.00 0.00 H new ATOM 0 HB THR A 20 -9.862 -11.200 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.683 -11.810 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.568 -9.470 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.743 -9.031 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.802 -9.640 -9.427 1.00 0.00 H new ATOM 275 N PHE A 21 -6.722 -9.691 -6.255 1.00 0.00 N ATOM 276 CA PHE A 21 -6.514 -8.799 -5.128 1.00 0.00 C ATOM 277 C PHE A 21 -6.413 -7.372 -5.623 1.00 0.00 C ATOM 278 O PHE A 21 -5.412 -6.962 -6.198 1.00 0.00 O ATOM 279 CB PHE A 21 -5.252 -9.206 -4.376 1.00 0.00 C ATOM 280 CG PHE A 21 -5.301 -8.926 -2.909 1.00 0.00 C ATOM 281 CD1 PHE A 21 -6.082 -9.703 -2.075 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.568 -7.892 -2.366 1.00 0.00 C ATOM 283 CE1 PHE A 21 -6.128 -9.453 -0.721 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.609 -7.635 -1.013 1.00 0.00 C ATOM 285 CZ PHE A 21 -5.388 -8.420 -0.190 1.00 0.00 C ATOM 0 H PHE A 21 -6.051 -9.579 -7.015 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.359 -8.868 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.080 -10.272 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.399 -8.681 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.662 -10.514 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.955 -7.277 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.743 -10.065 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.033 -6.821 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.418 -8.225 0.872 1.00 0.00 H new ATOM 295 N SER A 22 -7.473 -6.634 -5.422 1.00 0.00 N ATOM 296 CA SER A 22 -7.556 -5.270 -5.903 1.00 0.00 C ATOM 297 C SER A 22 -8.193 -4.391 -4.846 1.00 0.00 C ATOM 298 O SER A 22 -9.006 -4.858 -4.049 1.00 0.00 O ATOM 299 CB SER A 22 -8.359 -5.225 -7.204 1.00 0.00 C ATOM 300 OG SER A 22 -7.821 -6.130 -8.156 1.00 0.00 O ATOM 0 H SER A 22 -8.303 -6.955 -4.923 1.00 0.00 H new ATOM 0 HA SER A 22 -6.553 -4.895 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.400 -5.477 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.348 -4.213 -7.610 1.00 0.00 H new ATOM 0 HG SER A 22 -8.348 -6.089 -8.981 1.00 0.00 H new ATOM 306 N GLY A 23 -7.810 -3.131 -4.836 1.00 0.00 N ATOM 307 CA GLY A 23 -8.312 -2.204 -3.853 1.00 0.00 C ATOM 308 C GLY A 23 -7.813 -0.810 -4.124 1.00 0.00 C ATOM 309 O GLY A 23 -7.700 -0.405 -5.284 1.00 0.00 O ATOM 0 H GLY A 23 -7.150 -2.728 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.402 -2.213 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.000 -2.519 -2.857 1.00 0.00 H new ATOM 313 N LYS A 24 -7.489 -0.077 -3.075 1.00 0.00 N ATOM 314 CA LYS A 24 -6.996 1.274 -3.242 1.00 0.00 C ATOM 315 C LYS A 24 -6.296 1.759 -1.970 1.00 0.00 C ATOM 316 O LYS A 24 -6.420 1.142 -0.909 1.00 0.00 O ATOM 317 CB LYS A 24 -8.151 2.187 -3.648 1.00 0.00 C ATOM 318 CG LYS A 24 -8.726 3.018 -2.510 1.00 0.00 C ATOM 319 CD LYS A 24 -9.954 3.798 -2.940 1.00 0.00 C ATOM 320 CE LYS A 24 -11.122 2.882 -3.263 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.457 1.978 -2.131 1.00 0.00 N ATOM 0 H LYS A 24 -7.558 -0.392 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.250 1.296 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.808 2.859 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.947 1.577 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.985 2.363 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.966 3.710 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.242 4.488 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.713 4.401 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.995 3.484 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.881 2.286 -4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.489 1.868 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.019 1.048 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.097 2.385 -1.244 1.00 0.00 H new ATOM 335 N ILE A 25 -5.571 2.866 -2.086 1.00 0.00 N ATOM 336 CA ILE A 25 -4.684 3.328 -1.024 1.00 0.00 C ATOM 337 C ILE A 25 -4.869 4.831 -0.772 1.00 0.00 C ATOM 338 O ILE A 25 -5.335 5.567 -1.644 1.00 0.00 O ATOM 339 CB ILE A 25 -3.210 3.031 -1.392 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.065 1.566 -1.821 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.281 3.329 -0.221 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.671 1.185 -2.265 1.00 0.00 C ATOM 0 H ILE A 25 -5.581 3.465 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.939 2.792 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.927 3.679 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.357 0.925 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.761 1.367 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.252 3.111 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.366 4.381 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.559 2.709 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.655 0.133 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.381 1.798 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.971 1.349 -1.446 1.00 0.00 H new ATOM 354 N TYR A 26 -4.500 5.268 0.426 1.00 0.00 N ATOM 355 CA TYR A 26 -4.734 6.634 0.889 1.00 0.00 C ATOM 356 C TYR A 26 -3.444 7.196 1.520 1.00 0.00 C ATOM 357 O TYR A 26 -3.045 6.744 2.589 1.00 0.00 O ATOM 358 CB TYR A 26 -5.852 6.553 1.934 1.00 0.00 C ATOM 359 CG TYR A 26 -6.529 7.851 2.299 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.890 8.794 3.085 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.834 8.107 1.895 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.532 9.959 3.459 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.478 9.273 2.256 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.823 10.196 3.041 1.00 0.00 C ATOM 365 OH TYR A 26 -8.466 11.353 3.420 1.00 0.00 O ATOM 0 H TYR A 26 -4.025 4.680 1.111 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.017 7.294 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.612 5.863 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.438 6.117 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.876 8.617 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.353 7.380 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.022 10.683 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.489 9.461 1.925 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.369 11.365 3.039 1.00 0.00 H new ATOM 375 N VAL A 27 -2.773 8.170 0.882 1.00 0.00 N ATOM 376 CA VAL A 27 -1.455 8.598 1.385 1.00 0.00 C ATOM 377 C VAL A 27 -1.267 10.120 1.361 1.00 0.00 C ATOM 378 O VAL A 27 -1.861 10.833 0.545 1.00 0.00 O ATOM 379 CB VAL A 27 -0.269 7.925 0.618 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.713 6.680 -0.130 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.435 8.895 -0.324 1.00 0.00 C ATOM 0 H VAL A 27 -3.103 8.660 0.050 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.439 8.265 2.423 1.00 0.00 H new ATOM 0 HB VAL A 27 0.452 7.623 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.140 6.244 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.117 5.955 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.481 6.946 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.250 8.381 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.276 9.267 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.835 9.732 0.248 1.00 0.00 H new ATOM 391 N LYS A 28 -0.434 10.589 2.292 1.00 0.00 N ATOM 392 CA LYS A 28 -0.020 11.984 2.384 1.00 0.00 C ATOM 393 C LYS A 28 1.063 12.272 1.354 1.00 0.00 C ATOM 394 O LYS A 28 1.938 11.440 1.120 1.00 0.00 O ATOM 395 CB LYS A 28 0.519 12.246 3.799 1.00 0.00 C ATOM 396 CG LYS A 28 1.215 13.588 3.999 1.00 0.00 C ATOM 397 CD LYS A 28 0.230 14.736 4.148 1.00 0.00 C ATOM 398 CE LYS A 28 0.932 16.001 4.619 1.00 0.00 C ATOM 399 NZ LYS A 28 -0.018 17.115 4.874 1.00 0.00 N ATOM 0 H LYS A 28 -0.023 9.997 3.014 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.870 12.636 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.310 12.178 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.220 11.451 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.847 13.538 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.871 13.784 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.262 14.923 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.548 14.462 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.489 15.786 5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.658 16.311 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.442 17.835 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.303 17.542 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.859 16.749 5.364 1.00 0.00 H new ATOM 413 N ASN A 29 1.005 13.439 0.741 1.00 0.00 N ATOM 414 CA ASN A 29 2.017 13.842 -0.225 1.00 0.00 C ATOM 415 C ASN A 29 3.178 14.543 0.469 1.00 0.00 C ATOM 416 O ASN A 29 3.109 15.738 0.757 1.00 0.00 O ATOM 417 CB ASN A 29 1.412 14.762 -1.291 1.00 0.00 C ATOM 418 CG ASN A 29 0.585 14.002 -2.306 1.00 0.00 C ATOM 419 OD1 ASN A 29 0.059 12.933 -2.012 1.00 0.00 O ATOM 420 ND2 ASN A 29 0.467 14.547 -3.509 1.00 0.00 N ATOM 0 H ASN A 29 0.268 14.127 0.893 1.00 0.00 H new ATOM 0 HA ASN A 29 2.393 12.942 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.788 15.513 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.213 15.295 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.077 14.076 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.921 15.438 -3.712 1.00 0.00 H new ATOM 427 N ILE A 30 4.237 13.792 0.752 1.00 0.00 N ATOM 428 CA ILE A 30 5.437 14.365 1.352 1.00 0.00 C ATOM 429 C ILE A 30 6.188 15.113 0.271 1.00 0.00 C ATOM 430 O ILE A 30 6.491 16.301 0.392 1.00 0.00 O ATOM 431 CB ILE A 30 6.380 13.289 1.940 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.596 12.172 2.638 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.371 13.924 2.903 1.00 0.00 C ATOM 434 CD1 ILE A 30 4.634 12.636 3.705 1.00 0.00 C ATOM 0 H ILE A 30 4.289 12.789 0.576 1.00 0.00 H new ATOM 0 HA ILE A 30 5.127 15.017 2.169 1.00 0.00 H new ATOM 0 HB ILE A 30 6.929 12.840 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.038 11.615 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.306 11.477 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.028 13.155 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.967 14.668 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.830 14.405 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.128 11.773 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.183 13.165 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.896 13.305 3.263 1.00 0.00 H new ATOM 446 N ALA A 31 6.469 14.386 -0.795 1.00 0.00 N ATOM 447 CA ALA A 31 7.028 14.949 -1.992 1.00 0.00 C ATOM 448 C ALA A 31 5.961 14.908 -3.069 1.00 0.00 C ATOM 449 O ALA A 31 4.769 14.824 -2.756 1.00 0.00 O ATOM 450 CB ALA A 31 8.270 14.184 -2.417 1.00 0.00 C ATOM 0 H ALA A 31 6.311 13.380 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 31 7.336 15.980 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.677 14.627 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.016 14.232 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.009 13.143 -2.607 1.00 0.00 H new ATOM 456 N TYR A 32 6.356 14.940 -4.318 1.00 0.00 N ATOM 457 CA TYR A 32 5.385 14.949 -5.385 1.00 0.00 C ATOM 458 C TYR A 32 5.460 13.659 -6.188 1.00 0.00 C ATOM 459 O TYR A 32 4.483 12.906 -6.262 1.00 0.00 O ATOM 460 CB TYR A 32 5.623 16.172 -6.247 1.00 0.00 C ATOM 461 CG TYR A 32 4.443 16.552 -7.107 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.183 16.700 -6.548 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.590 16.777 -8.468 1.00 0.00 C ATOM 464 CE1 TYR A 32 2.100 17.063 -7.318 1.00 0.00 C ATOM 465 CE2 TYR A 32 3.509 17.138 -9.247 1.00 0.00 C ATOM 466 CZ TYR A 32 2.266 17.279 -8.667 1.00 0.00 C ATOM 467 OH TYR A 32 1.187 17.649 -9.436 1.00 0.00 O ATOM 0 H TYR A 32 7.330 14.960 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 32 4.376 15.003 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.877 17.014 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.485 15.990 -6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.048 16.528 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.563 16.668 -8.924 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.126 17.177 -6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.636 17.309 -10.306 1.00 0.00 H new ATOM 0 HH TYR A 32 1.472 17.763 -10.367 1.00 0.00 H new ATOM 477 N SER A 33 6.624 13.389 -6.756 1.00 0.00 N ATOM 478 CA SER A 33 6.852 12.147 -7.472 1.00 0.00 C ATOM 479 C SER A 33 7.064 11.016 -6.468 1.00 0.00 C ATOM 480 O SER A 33 8.189 10.730 -6.057 1.00 0.00 O ATOM 481 CB SER A 33 8.062 12.297 -8.393 1.00 0.00 C ATOM 482 OG SER A 33 7.938 13.463 -9.191 1.00 0.00 O ATOM 0 H SER A 33 7.428 14.017 -6.734 1.00 0.00 H new ATOM 0 HA SER A 33 5.984 11.908 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.974 12.351 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.150 11.419 -9.033 1.00 0.00 H new ATOM 0 HG SER A 33 8.722 13.545 -9.774 1.00 0.00 H new ATOM 488 N LYS A 34 5.968 10.403 -6.053 1.00 0.00 N ATOM 489 CA LYS A 34 5.996 9.396 -5.012 1.00 0.00 C ATOM 490 C LYS A 34 5.844 8.007 -5.612 1.00 0.00 C ATOM 491 O LYS A 34 5.345 7.859 -6.729 1.00 0.00 O ATOM 492 CB LYS A 34 4.856 9.678 -4.037 1.00 0.00 C ATOM 493 CG LYS A 34 4.825 11.116 -3.564 1.00 0.00 C ATOM 494 CD LYS A 34 3.555 11.434 -2.798 1.00 0.00 C ATOM 495 CE LYS A 34 2.306 11.168 -3.632 1.00 0.00 C ATOM 496 NZ LYS A 34 2.190 12.077 -4.810 1.00 0.00 N ATOM 0 H LYS A 34 5.038 10.590 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 34 6.951 9.433 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.907 9.438 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.952 9.019 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.690 11.307 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.907 11.782 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.519 10.833 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.569 12.479 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.319 10.134 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.424 11.283 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.494 11.691 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.880 13.018 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.115 12.157 -5.279 1.00 0.00 H new ATOM 510 N LYS A 35 6.281 6.995 -4.881 1.00 0.00 N ATOM 511 CA LYS A 35 6.104 5.617 -5.315 1.00 0.00 C ATOM 512 C LYS A 35 5.365 4.830 -4.251 1.00 0.00 C ATOM 513 O LYS A 35 5.634 4.979 -3.057 1.00 0.00 O ATOM 514 CB LYS A 35 7.442 4.936 -5.604 1.00 0.00 C ATOM 515 CG LYS A 35 8.249 5.587 -6.708 1.00 0.00 C ATOM 516 CD LYS A 35 9.414 4.704 -7.119 1.00 0.00 C ATOM 517 CE LYS A 35 10.432 5.466 -7.947 1.00 0.00 C ATOM 518 NZ LYS A 35 11.030 6.589 -7.179 1.00 0.00 N ATOM 0 H LYS A 35 6.760 7.100 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 35 5.525 5.637 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.037 4.929 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.256 3.896 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.609 5.776 -7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.622 6.554 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.897 4.302 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.042 3.854 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.220 4.786 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.954 5.853 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.814 7.003 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.307 7.316 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.388 6.235 -6.269 1.00 0.00 H new ATOM 532 N VAL A 36 4.439 3.995 -4.683 1.00 0.00 N ATOM 533 CA VAL A 36 3.686 3.165 -3.765 1.00 0.00 C ATOM 534 C VAL A 36 3.745 1.720 -4.203 1.00 0.00 C ATOM 535 O VAL A 36 3.257 1.354 -5.277 1.00 0.00 O ATOM 536 CB VAL A 36 2.226 3.631 -3.645 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.416 2.663 -2.829 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.179 4.987 -2.985 1.00 0.00 C ATOM 0 H VAL A 36 4.191 3.874 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 36 4.142 3.258 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 36 1.804 3.685 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.387 3.017 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.431 1.683 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.841 2.586 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.143 5.315 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.621 4.923 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.739 5.704 -3.586 1.00 0.00 H new ATOM 548 N THR A 37 4.358 0.910 -3.371 1.00 0.00 N ATOM 549 CA THR A 37 4.646 -0.454 -3.727 1.00 0.00 C ATOM 550 C THR A 37 3.969 -1.435 -2.775 1.00 0.00 C ATOM 551 O THR A 37 4.191 -1.403 -1.562 1.00 0.00 O ATOM 552 CB THR A 37 6.172 -0.679 -3.756 1.00 0.00 C ATOM 553 OG1 THR A 37 6.755 -0.355 -2.489 1.00 0.00 O ATOM 554 CG2 THR A 37 6.816 0.184 -4.830 1.00 0.00 C ATOM 0 H THR A 37 4.668 1.178 -2.437 1.00 0.00 H new ATOM 0 HA THR A 37 4.243 -0.640 -4.723 1.00 0.00 H new ATOM 0 HB THR A 37 6.350 -1.731 -3.977 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.723 -0.506 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.893 0.013 -4.837 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.401 -0.077 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.617 1.235 -4.620 1.00 0.00 H new ATOM 562 N VAL A 38 3.116 -2.285 -3.327 1.00 0.00 N ATOM 563 CA VAL A 38 2.445 -3.306 -2.541 1.00 0.00 C ATOM 564 C VAL A 38 3.275 -4.564 -2.481 1.00 0.00 C ATOM 565 O VAL A 38 3.418 -5.268 -3.474 1.00 0.00 O ATOM 566 CB VAL A 38 1.069 -3.687 -3.118 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.481 -4.886 -2.376 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.114 -2.524 -3.044 1.00 0.00 C ATOM 0 H VAL A 38 2.873 -2.287 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 38 2.311 -2.877 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 38 1.213 -3.957 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.491 -5.136 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.151 -5.740 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.362 -4.639 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.851 -2.818 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.014 -2.224 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.514 -1.687 -3.617 1.00 0.00 H new ATOM 578 N VAL A 39 3.803 -4.852 -1.319 1.00 0.00 N ATOM 579 CA VAL A 39 4.446 -6.133 -1.102 1.00 0.00 C ATOM 580 C VAL A 39 3.454 -7.048 -0.439 1.00 0.00 C ATOM 581 O VAL A 39 2.940 -6.725 0.632 1.00 0.00 O ATOM 582 CB VAL A 39 5.741 -6.057 -0.236 1.00 0.00 C ATOM 583 CG1 VAL A 39 6.969 -6.082 -1.132 1.00 0.00 C ATOM 584 CG2 VAL A 39 5.745 -4.799 0.608 1.00 0.00 C ATOM 0 H VAL A 39 3.804 -4.227 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 39 4.760 -6.506 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 39 5.763 -6.921 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.868 -6.029 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.979 -7.006 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.942 -5.229 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.656 -4.764 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.703 -3.925 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.878 -4.802 1.269 1.00 0.00 H new ATOM 594 N TYR A 40 3.136 -8.167 -1.071 1.00 0.00 N ATOM 595 CA TYR A 40 2.338 -9.159 -0.387 1.00 0.00 C ATOM 596 C TYR A 40 3.069 -10.453 -0.281 1.00 0.00 C ATOM 597 O TYR A 40 3.777 -10.883 -1.196 1.00 0.00 O ATOM 598 CB TYR A 40 0.953 -9.373 -1.003 1.00 0.00 C ATOM 599 CG TYR A 40 0.898 -10.211 -2.272 1.00 0.00 C ATOM 600 CD1 TYR A 40 1.031 -11.597 -2.247 1.00 0.00 C ATOM 601 CD2 TYR A 40 0.671 -9.607 -3.483 1.00 0.00 C ATOM 602 CE1 TYR A 40 0.943 -12.343 -3.409 1.00 0.00 C ATOM 603 CE2 TYR A 40 0.572 -10.339 -4.648 1.00 0.00 C ATOM 604 CZ TYR A 40 0.710 -11.708 -4.609 1.00 0.00 C ATOM 605 OH TYR A 40 0.598 -12.444 -5.768 1.00 0.00 O ATOM 0 H TYR A 40 3.410 -8.402 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 40 2.167 -8.759 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.316 -9.844 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.521 -8.396 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.206 -12.097 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.567 -8.533 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.056 -13.417 -3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.387 -9.840 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 40 1.482 -12.542 -6.180 1.00 0.00 H new ATOM 615 N ALA A 41 2.932 -11.027 0.888 1.00 0.00 N ATOM 616 CA ALA A 41 3.618 -12.221 1.223 1.00 0.00 C ATOM 617 C ALA A 41 2.920 -13.360 0.550 1.00 0.00 C ATOM 618 O ALA A 41 1.910 -13.899 1.023 1.00 0.00 O ATOM 619 CB ALA A 41 3.736 -12.374 2.717 1.00 0.00 C ATOM 0 H ALA A 41 2.333 -10.665 1.631 1.00 0.00 H new ATOM 0 HA ALA A 41 4.647 -12.197 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.266 -13.298 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.287 -11.528 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.740 -12.407 3.159 1.00 0.00 H new ATOM 625 N ASP A 42 3.418 -13.522 -0.651 1.00 0.00 N ATOM 626 CA ASP A 42 3.045 -14.550 -1.633 1.00 0.00 C ATOM 627 C ASP A 42 2.894 -15.954 -1.009 1.00 0.00 C ATOM 628 O ASP A 42 2.940 -16.121 0.206 1.00 0.00 O ATOM 629 CB ASP A 42 4.147 -14.563 -2.714 1.00 0.00 C ATOM 630 CG ASP A 42 3.876 -15.457 -3.910 1.00 0.00 C ATOM 631 OD1 ASP A 42 2.703 -15.742 -4.191 1.00 0.00 O ATOM 632 OD2 ASP A 42 4.856 -15.888 -4.565 1.00 0.00 O ATOM 0 H ASP A 42 4.147 -12.904 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 42 2.069 -14.305 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.295 -13.543 -3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.082 -14.878 -2.251 1.00 0.00 H new ATOM 637 N GLY A 43 2.754 -16.967 -1.852 1.00 0.00 N ATOM 638 CA GLY A 43 2.635 -18.337 -1.384 1.00 0.00 C ATOM 639 C GLY A 43 3.862 -18.804 -0.615 1.00 0.00 C ATOM 640 O GLY A 43 3.850 -19.869 -0.004 1.00 0.00 O ATOM 0 H GLY A 43 2.720 -16.864 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.756 -18.423 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.474 -18.995 -2.238 1.00 0.00 H new ATOM 644 N SER A 44 4.923 -18.008 -0.662 1.00 0.00 N ATOM 645 CA SER A 44 6.125 -18.268 0.119 1.00 0.00 C ATOM 646 C SER A 44 5.894 -17.891 1.582 1.00 0.00 C ATOM 647 O SER A 44 6.697 -18.224 2.456 1.00 0.00 O ATOM 648 CB SER A 44 7.281 -17.449 -0.443 1.00 0.00 C ATOM 649 OG SER A 44 8.513 -17.796 0.170 1.00 0.00 O ATOM 0 H SER A 44 4.974 -17.169 -1.239 1.00 0.00 H new ATOM 0 HA SER A 44 6.365 -19.330 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.352 -17.609 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.084 -16.388 -0.290 1.00 0.00 H new ATOM 0 HG SER A 44 8.354 -18.048 1.104 1.00 0.00 H new ATOM 655 N ASP A 45 4.810 -17.149 1.806 1.00 0.00 N ATOM 656 CA ASP A 45 4.359 -16.731 3.140 1.00 0.00 C ATOM 657 C ASP A 45 5.217 -15.596 3.678 1.00 0.00 C ATOM 658 O ASP A 45 5.138 -15.253 4.860 1.00 0.00 O ATOM 659 CB ASP A 45 4.351 -17.894 4.146 1.00 0.00 C ATOM 660 CG ASP A 45 3.449 -19.041 3.731 1.00 0.00 C ATOM 661 OD1 ASP A 45 2.220 -18.842 3.640 1.00 0.00 O ATOM 662 OD2 ASP A 45 3.970 -20.155 3.490 1.00 0.00 O ATOM 0 H ASP A 45 4.207 -16.814 1.054 1.00 0.00 H new ATOM 0 HA ASP A 45 3.333 -16.382 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.368 -18.267 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.029 -17.522 5.119 1.00 0.00 H new ATOM 667 N ASN A 46 6.024 -15.004 2.805 1.00 0.00 N ATOM 668 CA ASN A 46 6.925 -13.928 3.193 1.00 0.00 C ATOM 669 C ASN A 46 7.561 -13.286 1.973 1.00 0.00 C ATOM 670 O ASN A 46 7.284 -13.680 0.836 1.00 0.00 O ATOM 671 CB ASN A 46 8.034 -14.455 4.100 1.00 0.00 C ATOM 672 CG ASN A 46 8.843 -15.595 3.488 1.00 0.00 C ATOM 673 OD1 ASN A 46 9.011 -15.691 2.274 1.00 0.00 O ATOM 674 ND2 ASN A 46 9.356 -16.468 4.335 1.00 0.00 N ATOM 0 H ASN A 46 6.072 -15.254 1.817 1.00 0.00 H new ATOM 0 HA ASN A 46 6.333 -13.185 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.709 -13.635 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.593 -14.797 5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.910 -17.251 3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.198 -16.360 5.337 1.00 0.00 H new ATOM 681 N TRP A 47 8.395 -12.279 2.207 1.00 0.00 N ATOM 682 CA TRP A 47 9.221 -11.740 1.161 1.00 0.00 C ATOM 683 C TRP A 47 10.661 -12.174 1.313 1.00 0.00 C ATOM 684 O TRP A 47 11.365 -11.724 2.221 1.00 0.00 O ATOM 685 CB TRP A 47 9.149 -10.231 1.114 1.00 0.00 C ATOM 686 CG TRP A 47 7.776 -9.808 0.815 1.00 0.00 C ATOM 687 CD1 TRP A 47 7.191 -9.721 -0.391 1.00 0.00 C ATOM 688 CD2 TRP A 47 6.793 -9.508 1.760 1.00 0.00 C ATOM 689 NE1 TRP A 47 5.890 -9.333 -0.248 1.00 0.00 N ATOM 690 CE2 TRP A 47 5.630 -9.206 1.088 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.797 -9.458 3.116 1.00 0.00 C ATOM 692 CZ2 TRP A 47 4.477 -8.864 1.763 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.679 -9.132 3.766 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.523 -8.840 3.100 1.00 0.00 C ATOM 0 H TRP A 47 8.509 -11.827 3.115 1.00 0.00 H new ATOM 0 HA TRP A 47 8.832 -12.136 0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.468 -9.813 2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.831 -9.849 0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.677 -9.927 -1.333 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.228 -9.167 -1.006 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.700 -9.681 3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.568 -8.624 1.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.688 -9.098 4.845 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.635 -8.587 3.660 1.00 0.00 H new ATOM 705 N ASN A 48 11.094 -13.061 0.440 1.00 0.00 N ATOM 706 CA ASN A 48 12.500 -13.406 0.359 1.00 0.00 C ATOM 707 C ASN A 48 13.224 -12.278 -0.359 1.00 0.00 C ATOM 708 O ASN A 48 12.689 -11.173 -0.482 1.00 0.00 O ATOM 709 CB ASN A 48 12.691 -14.724 -0.401 1.00 0.00 C ATOM 710 CG ASN A 48 11.934 -15.879 0.226 1.00 0.00 C ATOM 711 OD1 ASN A 48 12.453 -16.589 1.089 1.00 0.00 O ATOM 712 ND2 ASN A 48 10.702 -16.084 -0.218 1.00 0.00 N ATOM 0 H ASN A 48 10.495 -13.555 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 48 12.906 -13.538 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.360 -14.595 -1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.753 -14.968 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.146 -16.853 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.310 -15.473 -0.934 1.00 0.00 H new ATOM 719 N ASN A 49 14.422 -12.532 -0.842 1.00 0.00 N ATOM 720 CA ASN A 49 15.106 -11.565 -1.691 1.00 0.00 C ATOM 721 C ASN A 49 14.483 -11.573 -3.088 1.00 0.00 C ATOM 722 O ASN A 49 15.156 -11.817 -4.090 1.00 0.00 O ATOM 723 CB ASN A 49 16.613 -11.858 -1.737 1.00 0.00 C ATOM 724 CG ASN A 49 16.937 -13.316 -2.019 1.00 0.00 C ATOM 725 OD1 ASN A 49 16.870 -14.156 -1.124 1.00 0.00 O ATOM 726 ND2 ASN A 49 17.331 -13.620 -3.247 1.00 0.00 N ATOM 0 H ASN A 49 14.943 -13.391 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 49 14.985 -10.566 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.073 -11.236 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.060 -11.572 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.592 -14.579 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.374 -12.895 -3.963 1.00 0.00 H new ATOM 733 N ASN A 50 13.179 -11.299 -3.142 1.00 0.00 N ATOM 734 CA ASN A 50 12.426 -11.380 -4.385 1.00 0.00 C ATOM 735 C ASN A 50 11.650 -10.093 -4.613 1.00 0.00 C ATOM 736 O ASN A 50 11.728 -9.495 -5.683 1.00 0.00 O ATOM 737 CB ASN A 50 11.452 -12.563 -4.342 1.00 0.00 C ATOM 738 CG ASN A 50 10.807 -12.826 -5.693 1.00 0.00 C ATOM 739 OD1 ASN A 50 11.430 -12.636 -6.739 1.00 0.00 O ATOM 740 ND2 ASN A 50 9.555 -13.251 -5.683 1.00 0.00 N ATOM 0 H ASN A 50 12.624 -11.018 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 50 13.130 -11.526 -5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.983 -13.457 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.676 -12.365 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.071 -13.433 -6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.073 -13.396 -4.796 1.00 0.00 H new ATOM 747 N GLY A 51 10.908 -9.669 -3.600 1.00 0.00 N ATOM 748 CA GLY A 51 10.108 -8.470 -3.726 1.00 0.00 C ATOM 749 C GLY A 51 8.828 -8.722 -4.493 1.00 0.00 C ATOM 750 O GLY A 51 8.719 -8.373 -5.671 1.00 0.00 O ATOM 0 H GLY A 51 10.846 -10.134 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.867 -8.089 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.688 -7.698 -4.232 1.00 0.00 H new ATOM 754 N ASN A 52 7.869 -9.350 -3.826 1.00 0.00 N ATOM 755 CA ASN A 52 6.568 -9.634 -4.423 1.00 0.00 C ATOM 756 C ASN A 52 5.730 -8.363 -4.414 1.00 0.00 C ATOM 757 O ASN A 52 4.883 -8.180 -3.536 1.00 0.00 O ATOM 758 CB ASN A 52 5.830 -10.718 -3.626 1.00 0.00 C ATOM 759 CG ASN A 52 6.731 -11.826 -3.112 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.680 -12.245 -3.771 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.458 -12.274 -1.896 1.00 0.00 N ATOM 0 H ASN A 52 7.968 -9.675 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 52 6.721 -9.987 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.325 -10.252 -2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.057 -11.156 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.045 -12.993 -1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.660 -11.900 -1.382 1.00 0.00 H new ATOM 768 N ILE A 53 5.974 -7.481 -5.371 1.00 0.00 N ATOM 769 CA ILE A 53 5.382 -6.155 -5.331 1.00 0.00 C ATOM 770 C ILE A 53 4.495 -5.868 -6.534 1.00 0.00 C ATOM 771 O ILE A 53 4.819 -6.214 -7.671 1.00 0.00 O ATOM 772 CB ILE A 53 6.478 -5.066 -5.195 1.00 0.00 C ATOM 773 CG1 ILE A 53 5.888 -3.644 -5.221 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.540 -5.223 -6.276 1.00 0.00 C ATOM 775 CD1 ILE A 53 5.898 -2.980 -6.589 1.00 0.00 C ATOM 0 H ILE A 53 6.573 -7.658 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 53 4.741 -6.128 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 53 6.948 -5.208 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.861 -3.684 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.448 -3.020 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.297 -4.447 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.008 -6.203 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.076 -5.131 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.464 -1.983 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.924 -2.903 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.313 -3.578 -7.288 1.00 0.00 H new ATOM 787 N ILE A 54 3.365 -5.236 -6.253 1.00 0.00 N ATOM 788 CA ILE A 54 2.504 -4.684 -7.286 1.00 0.00 C ATOM 789 C ILE A 54 2.542 -3.161 -7.169 1.00 0.00 C ATOM 790 O ILE A 54 2.485 -2.615 -6.062 1.00 0.00 O ATOM 791 CB ILE A 54 1.037 -5.206 -7.189 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.332 -5.071 -8.539 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.235 -4.481 -6.118 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.914 -5.960 -9.616 1.00 0.00 C ATOM 0 H ILE A 54 3.020 -5.092 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 54 2.874 -5.007 -8.259 1.00 0.00 H new ATOM 0 HB ILE A 54 1.093 -6.257 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.724 -5.310 -8.414 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.388 -4.033 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.779 -4.880 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.709 -4.626 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.199 -3.416 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.365 -5.812 -10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.963 -5.707 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.834 -7.003 -9.310 1.00 0.00 H new ATOM 806 N ALA A 55 2.708 -2.474 -8.283 1.00 0.00 N ATOM 807 CA ALA A 55 2.805 -1.028 -8.243 1.00 0.00 C ATOM 808 C ALA A 55 1.420 -0.397 -8.270 1.00 0.00 C ATOM 809 O ALA A 55 0.600 -0.705 -9.141 1.00 0.00 O ATOM 810 CB ALA A 55 3.660 -0.505 -9.385 1.00 0.00 C ATOM 0 H ALA A 55 2.778 -2.886 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 55 3.291 -0.748 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.715 0.582 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.664 -0.924 -9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.215 -0.798 -10.336 1.00 0.00 H new ATOM 816 N ALA A 56 1.155 0.467 -7.301 1.00 0.00 N ATOM 817 CA ALA A 56 -0.119 1.161 -7.227 1.00 0.00 C ATOM 818 C ALA A 56 -0.117 2.374 -8.142 1.00 0.00 C ATOM 819 O ALA A 56 0.941 2.888 -8.503 1.00 0.00 O ATOM 820 CB ALA A 56 -0.416 1.580 -5.796 1.00 0.00 C ATOM 0 H ALA A 56 1.808 0.704 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.902 0.478 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.374 2.098 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.457 0.696 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.370 2.246 -5.441 1.00 0.00 H new ATOM 826 N SER A 57 -1.300 2.835 -8.506 1.00 0.00 N ATOM 827 CA SER A 57 -1.427 3.987 -9.369 1.00 0.00 C ATOM 828 C SER A 57 -2.405 4.967 -8.745 1.00 0.00 C ATOM 829 O SER A 57 -3.472 4.576 -8.266 1.00 0.00 O ATOM 830 CB SER A 57 -1.908 3.560 -10.757 1.00 0.00 C ATOM 831 OG SER A 57 -1.755 4.605 -11.700 1.00 0.00 O ATOM 0 H SER A 57 -2.187 2.425 -8.214 1.00 0.00 H new ATOM 0 HA SER A 57 -0.455 4.468 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.346 2.686 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.956 3.264 -10.706 1.00 0.00 H new ATOM 0 HG SER A 57 -2.069 4.302 -12.578 1.00 0.00 H new ATOM 837 N PHE A 58 -2.034 6.228 -8.717 1.00 0.00 N ATOM 838 CA PHE A 58 -2.883 7.235 -8.141 1.00 0.00 C ATOM 839 C PHE A 58 -4.022 7.571 -9.092 1.00 0.00 C ATOM 840 O PHE A 58 -3.850 7.614 -10.312 1.00 0.00 O ATOM 841 CB PHE A 58 -2.090 8.483 -7.750 1.00 0.00 C ATOM 842 CG PHE A 58 -1.624 9.297 -8.910 1.00 0.00 C ATOM 843 CD1 PHE A 58 -2.467 10.228 -9.468 1.00 0.00 C ATOM 844 CD2 PHE A 58 -0.359 9.128 -9.447 1.00 0.00 C ATOM 845 CE1 PHE A 58 -2.073 10.980 -10.536 1.00 0.00 C ATOM 846 CE2 PHE A 58 0.049 9.887 -10.525 1.00 0.00 C ATOM 847 CZ PHE A 58 -0.813 10.815 -11.073 1.00 0.00 C ATOM 0 H PHE A 58 -1.150 6.576 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.313 6.834 -7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.710 9.108 -7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.224 8.180 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.455 10.366 -9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.312 8.398 -9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.749 11.706 -10.962 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.038 9.755 -10.938 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.502 11.410 -11.919 1.00 0.00 H new ATOM 857 N SER A 59 -5.188 7.778 -8.518 1.00 0.00 N ATOM 858 CA SER A 59 -6.372 8.113 -9.277 1.00 0.00 C ATOM 859 C SER A 59 -6.509 9.628 -9.331 1.00 0.00 C ATOM 860 O SER A 59 -7.093 10.180 -10.265 1.00 0.00 O ATOM 861 CB SER A 59 -7.609 7.471 -8.635 1.00 0.00 C ATOM 862 OG SER A 59 -8.734 7.528 -9.496 1.00 0.00 O ATOM 0 H SER A 59 -5.341 7.719 -7.511 1.00 0.00 H new ATOM 0 HA SER A 59 -6.286 7.727 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.393 6.432 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.840 7.981 -7.700 1.00 0.00 H new ATOM 0 HG SER A 59 -9.504 7.109 -9.057 1.00 0.00 H new ATOM 868 N GLY A 60 -5.956 10.301 -8.325 1.00 0.00 N ATOM 869 CA GLY A 60 -5.919 11.746 -8.339 1.00 0.00 C ATOM 870 C GLY A 60 -5.700 12.314 -6.959 1.00 0.00 C ATOM 871 O GLY A 60 -5.721 11.569 -5.982 1.00 0.00 O ATOM 0 H GLY A 60 -5.534 9.868 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.122 12.083 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.855 12.130 -8.746 1.00 0.00 H new ATOM 875 N PRO A 61 -5.463 13.624 -6.843 1.00 0.00 N ATOM 876 CA PRO A 61 -5.346 14.288 -5.546 1.00 0.00 C ATOM 877 C PRO A 61 -6.689 14.312 -4.826 1.00 0.00 C ATOM 878 O PRO A 61 -7.739 14.439 -5.460 1.00 0.00 O ATOM 879 CB PRO A 61 -4.896 15.714 -5.898 1.00 0.00 C ATOM 880 CG PRO A 61 -4.460 15.653 -7.325 1.00 0.00 C ATOM 881 CD PRO A 61 -5.278 14.565 -7.956 1.00 0.00 C ATOM 0 HA PRO A 61 -4.652 13.779 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.710 16.426 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.081 16.039 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.626 16.607 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.395 15.435 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.229 14.939 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.760 14.103 -8.797 1.00 0.00 H new ATOM 889 N ILE A 62 -6.662 14.176 -3.512 1.00 0.00 N ATOM 890 CA ILE A 62 -7.889 14.158 -2.737 1.00 0.00 C ATOM 891 C ILE A 62 -8.389 15.579 -2.526 1.00 0.00 C ATOM 892 O ILE A 62 -7.785 16.367 -1.793 1.00 0.00 O ATOM 893 CB ILE A 62 -7.705 13.446 -1.379 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.064 12.072 -1.580 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.040 13.299 -0.671 1.00 0.00 C ATOM 896 CD1 ILE A 62 -6.956 11.250 -0.313 1.00 0.00 C ATOM 0 H ILE A 62 -5.809 14.077 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.630 13.592 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.046 14.054 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.647 11.515 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.067 12.206 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.892 12.795 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.471 14.285 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.717 12.711 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.491 10.291 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.347 11.784 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.952 11.083 0.098 1.00 0.00 H new ATOM 908 N SER A 63 -9.489 15.895 -3.189 1.00 0.00 N ATOM 909 CA SER A 63 -10.043 17.234 -3.187 1.00 0.00 C ATOM 910 C SER A 63 -10.555 17.631 -1.804 1.00 0.00 C ATOM 911 O SER A 63 -11.402 16.954 -1.217 1.00 0.00 O ATOM 912 CB SER A 63 -11.153 17.320 -4.234 1.00 0.00 C ATOM 913 OG SER A 63 -11.908 16.117 -4.279 1.00 0.00 O ATOM 0 H SER A 63 -10.023 15.227 -3.745 1.00 0.00 H new ATOM 0 HA SER A 63 -9.253 17.941 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.811 18.158 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.718 17.517 -5.214 1.00 0.00 H new ATOM 0 HG SER A 63 -12.613 16.198 -4.955 1.00 0.00 H new ATOM 919 N GLY A 64 -10.024 18.730 -1.286 1.00 0.00 N ATOM 920 CA GLY A 64 -10.392 19.185 0.037 1.00 0.00 C ATOM 921 C GLY A 64 -9.253 19.014 1.013 1.00 0.00 C ATOM 922 O GLY A 64 -9.359 19.373 2.188 1.00 0.00 O ATOM 0 H GLY A 64 -9.340 19.317 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.683 20.235 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.261 18.627 0.387 1.00 0.00 H new ATOM 926 N SER A 65 -8.162 18.448 0.520 1.00 0.00 N ATOM 927 CA SER A 65 -6.970 18.215 1.319 1.00 0.00 C ATOM 928 C SER A 65 -5.745 18.196 0.407 1.00 0.00 C ATOM 929 O SER A 65 -5.869 18.357 -0.809 1.00 0.00 O ATOM 930 CB SER A 65 -7.093 16.876 2.054 1.00 0.00 C ATOM 931 OG SER A 65 -8.230 16.856 2.901 1.00 0.00 O ATOM 0 H SER A 65 -8.079 18.137 -0.448 1.00 0.00 H new ATOM 0 HA SER A 65 -6.862 19.014 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.163 16.066 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.194 16.699 2.644 1.00 0.00 H new ATOM 0 HG SER A 65 -8.284 15.990 3.356 1.00 0.00 H new ATOM 937 N ASN A 66 -4.569 18.006 0.990 1.00 0.00 N ATOM 938 CA ASN A 66 -3.347 17.875 0.203 1.00 0.00 C ATOM 939 C ASN A 66 -2.876 16.424 0.213 1.00 0.00 C ATOM 940 O ASN A 66 -1.684 16.127 0.286 1.00 0.00 O ATOM 941 CB ASN A 66 -2.244 18.818 0.710 1.00 0.00 C ATOM 942 CG ASN A 66 -1.977 18.694 2.197 1.00 0.00 C ATOM 943 OD1 ASN A 66 -1.199 17.850 2.634 1.00 0.00 O ATOM 944 ND2 ASN A 66 -2.600 19.558 2.987 1.00 0.00 N ATOM 0 H ASN A 66 -4.434 17.939 1.999 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.569 18.166 -0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.323 18.612 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.525 19.847 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.440 19.536 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.239 20.245 2.588 1.00 0.00 H new ATOM 951 N TYR A 67 -3.845 15.526 0.143 1.00 0.00 N ATOM 952 CA TYR A 67 -3.582 14.099 0.086 1.00 0.00 C ATOM 953 C TYR A 67 -3.746 13.592 -1.334 1.00 0.00 C ATOM 954 O TYR A 67 -4.266 14.299 -2.198 1.00 0.00 O ATOM 955 CB TYR A 67 -4.539 13.342 1.007 1.00 0.00 C ATOM 956 CG TYR A 67 -3.925 12.923 2.319 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.359 13.852 3.175 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.919 11.592 2.700 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.800 13.463 4.377 1.00 0.00 C ATOM 960 CE2 TYR A 67 -3.365 11.193 3.898 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.806 12.131 4.732 1.00 0.00 C ATOM 962 OH TYR A 67 -2.245 11.734 5.920 1.00 0.00 O ATOM 0 H TYR A 67 -4.836 15.767 0.124 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.557 13.927 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.407 13.970 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.901 12.455 0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.354 14.896 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.357 10.852 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.361 14.198 5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.370 10.150 4.179 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.335 10.763 6.016 1.00 0.00 H new ATOM 972 N GLU A 68 -3.316 12.369 -1.567 1.00 0.00 N ATOM 973 CA GLU A 68 -3.482 11.751 -2.864 1.00 0.00 C ATOM 974 C GLU A 68 -4.231 10.437 -2.697 1.00 0.00 C ATOM 975 O GLU A 68 -4.313 9.894 -1.587 1.00 0.00 O ATOM 976 CB GLU A 68 -2.119 11.557 -3.523 1.00 0.00 C ATOM 977 CG GLU A 68 -2.143 11.472 -5.036 1.00 0.00 C ATOM 978 CD GLU A 68 -0.789 11.801 -5.632 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.470 13.002 -5.771 1.00 0.00 O ATOM 980 OE2 GLU A 68 -0.018 10.872 -5.935 1.00 0.00 O ATOM 0 H GLU A 68 -2.849 11.784 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.070 12.393 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.471 12.383 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.669 10.645 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.442 10.469 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.891 12.160 -5.428 1.00 0.00 H new ATOM 987 N TYR A 69 -4.725 9.907 -3.798 1.00 0.00 N ATOM 988 CA TYR A 69 -5.765 8.903 -3.763 1.00 0.00 C ATOM 989 C TYR A 69 -5.413 7.825 -4.749 1.00 0.00 C ATOM 990 O TYR A 69 -5.417 8.051 -5.955 1.00 0.00 O ATOM 991 CB TYR A 69 -7.116 9.530 -4.117 1.00 0.00 C ATOM 992 CG TYR A 69 -8.301 8.725 -3.650 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.225 7.975 -2.488 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.501 8.739 -4.347 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.308 7.256 -2.030 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.591 8.018 -3.900 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.490 7.279 -2.740 1.00 0.00 C ATOM 998 OH TYR A 69 -11.577 6.565 -2.286 1.00 0.00 O ATOM 0 H TYR A 69 -4.417 10.160 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.843 8.479 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.170 10.526 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.176 9.654 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.300 7.953 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.584 9.322 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.231 6.678 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.517 8.033 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.330 6.689 -2.901 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.089 6.666 -4.238 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.469 5.646 -5.034 1.00 0.00 C ATOM 1010 C TRP A 70 -5.414 4.489 -5.229 1.00 0.00 C ATOM 1011 O TRP A 70 -6.194 4.172 -4.345 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.202 5.189 -4.326 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.355 6.338 -3.863 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.650 7.253 -2.918 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.065 6.674 -4.319 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.619 8.138 -2.796 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.631 7.790 -3.633 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.263 6.122 -5.240 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.606 8.375 -3.852 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.980 6.665 -5.481 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.409 7.789 -4.775 1.00 0.00 C ATOM 0 H TRP A 70 -5.247 6.406 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.218 6.041 -6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.471 4.572 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.619 4.561 -5.000 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.564 7.281 -2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.602 8.940 -2.166 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.590 5.253 -5.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.917 9.257 -3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.627 6.218 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.391 8.197 -4.965 1.00 0.00 H new ATOM 1032 N THR A 71 -5.353 3.879 -6.385 1.00 0.00 N ATOM 1033 CA THR A 71 -6.151 2.710 -6.680 1.00 0.00 C ATOM 1034 C THR A 71 -5.267 1.660 -7.308 1.00 0.00 C ATOM 1035 O THR A 71 -4.489 1.967 -8.214 1.00 0.00 O ATOM 1036 CB THR A 71 -7.314 3.058 -7.630 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.858 3.952 -8.658 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.470 3.688 -6.867 1.00 0.00 C ATOM 0 H THR A 71 -4.749 4.177 -7.151 1.00 0.00 H new ATOM 0 HA THR A 71 -6.580 2.331 -5.753 1.00 0.00 H new ATOM 0 HB THR A 71 -7.669 2.135 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.951 3.702 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.278 3.924 -7.560 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.832 2.989 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.130 4.602 -6.381 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.341 0.433 -6.831 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.494 -0.587 -7.398 1.00 0.00 C ATOM 1048 C PHE A 72 -5.270 -1.850 -7.712 1.00 0.00 C ATOM 1049 O PHE A 72 -6.266 -2.174 -7.061 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.294 -0.914 -6.495 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.616 -1.822 -5.341 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -4.282 -1.334 -4.243 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -3.246 -3.158 -5.361 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -4.583 -2.152 -3.171 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -3.543 -3.986 -4.295 1.00 0.00 C ATOM 1056 CZ PHE A 72 -4.213 -3.482 -3.197 1.00 0.00 C ATOM 0 H PHE A 72 -5.958 0.128 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.109 -0.178 -8.332 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.515 -1.378 -7.100 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.883 0.017 -6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.575 -0.295 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.721 -3.555 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.106 -1.752 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.252 -5.026 -4.320 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.447 -4.126 -2.362 1.00 0.00 H new ATOM 1066 N SER A 73 -4.789 -2.551 -8.709 1.00 0.00 N ATOM 1067 CA SER A 73 -5.359 -3.816 -9.116 1.00 0.00 C ATOM 1068 C SER A 73 -4.246 -4.834 -9.269 1.00 0.00 C ATOM 1069 O SER A 73 -3.152 -4.505 -9.736 1.00 0.00 O ATOM 1070 CB SER A 73 -6.127 -3.674 -10.429 1.00 0.00 C ATOM 1071 OG SER A 73 -7.094 -2.637 -10.357 1.00 0.00 O ATOM 0 H SER A 73 -3.986 -2.260 -9.266 1.00 0.00 H new ATOM 0 HA SER A 73 -6.062 -4.149 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.429 -3.466 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.620 -4.617 -10.667 1.00 0.00 H new ATOM 0 HG SER A 73 -7.567 -2.571 -11.213 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.511 -6.057 -8.863 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.494 -7.088 -8.873 1.00 0.00 C ATOM 1079 C ALA A 74 -4.109 -8.464 -9.075 1.00 0.00 C ATOM 1080 O ALA A 74 -4.870 -8.950 -8.236 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.706 -7.041 -7.568 1.00 0.00 C ATOM 0 H ALA A 74 -5.422 -6.362 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.819 -6.902 -9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.941 -7.817 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.232 -6.065 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.382 -7.207 -6.729 1.00 0.00 H new ATOM 1087 N SER A 75 -3.808 -9.078 -10.207 1.00 0.00 N ATOM 1088 CA SER A 75 -4.139 -10.474 -10.399 1.00 0.00 C ATOM 1089 C SER A 75 -3.107 -11.287 -9.639 1.00 0.00 C ATOM 1090 O SER A 75 -1.988 -11.497 -10.113 1.00 0.00 O ATOM 1091 CB SER A 75 -4.127 -10.826 -11.889 1.00 0.00 C ATOM 1092 OG SER A 75 -4.647 -12.124 -12.122 1.00 0.00 O ATOM 0 H SER A 75 -3.340 -8.635 -10.998 1.00 0.00 H new ATOM 0 HA SER A 75 -5.140 -10.691 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.715 -10.093 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.107 -10.768 -12.269 1.00 0.00 H new ATOM 0 HG SER A 75 -4.627 -12.317 -13.083 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.474 -11.726 -8.450 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.507 -12.320 -7.551 1.00 0.00 C ATOM 1100 C VAL A 76 -2.498 -13.834 -7.674 1.00 0.00 C ATOM 1101 O VAL A 76 -3.466 -14.448 -8.131 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.759 -11.900 -6.087 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.672 -10.392 -5.953 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -4.105 -12.383 -5.595 1.00 0.00 C ATOM 0 H VAL A 76 -4.427 -11.683 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.526 -11.946 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.988 -12.364 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.852 -10.108 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.680 -10.057 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.422 -9.926 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.248 -12.069 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.893 -11.958 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.145 -13.471 -5.653 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.383 -14.414 -7.279 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.147 -15.844 -7.418 1.00 0.00 C ATOM 1116 C LYS A 77 -1.481 -16.582 -6.125 1.00 0.00 C ATOM 1117 O LYS A 77 -1.647 -17.804 -6.118 1.00 0.00 O ATOM 1118 CB LYS A 77 0.318 -16.075 -7.804 1.00 0.00 C ATOM 1119 CG LYS A 77 1.295 -15.438 -6.828 1.00 0.00 C ATOM 1120 CD LYS A 77 2.708 -15.397 -7.362 1.00 0.00 C ATOM 1121 CE LYS A 77 3.354 -16.769 -7.372 1.00 0.00 C ATOM 1122 NZ LYS A 77 4.818 -16.666 -7.163 1.00 0.00 N ATOM 0 H LYS A 77 -0.609 -13.908 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.797 -16.237 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.510 -17.147 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.494 -15.672 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.967 -14.424 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.281 -15.994 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.701 -14.993 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.306 -14.720 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.914 -17.388 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.152 -17.263 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.221 -17.619 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.253 -16.196 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.008 -16.111 -6.304 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.579 -15.833 -5.036 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.885 -16.425 -3.750 1.00 0.00 C ATOM 1138 C GLY A 78 -1.336 -15.605 -2.605 1.00 0.00 C ATOM 1139 O GLY A 78 -0.266 -15.900 -2.076 1.00 0.00 O ATOM 0 H GLY A 78 -1.451 -14.821 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.965 -16.520 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.470 -17.432 -3.706 1.00 0.00 H new ATOM 1143 N ILE A 79 -2.069 -14.575 -2.217 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.622 -13.690 -1.155 1.00 0.00 C ATOM 1145 C ILE A 79 -2.110 -14.170 0.197 1.00 0.00 C ATOM 1146 O ILE A 79 -3.273 -14.531 0.369 1.00 0.00 O ATOM 1147 CB ILE A 79 -2.063 -12.230 -1.389 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.829 -11.364 -0.148 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.515 -12.160 -1.820 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -2.189 -9.908 -0.350 1.00 0.00 C ATOM 0 H ILE A 79 -2.974 -14.332 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.532 -13.714 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.446 -11.832 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.415 -11.763 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.780 -11.434 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.798 -11.119 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.646 -12.716 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.146 -12.594 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.998 -9.355 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.584 -9.492 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.245 -9.827 -0.609 1.00 0.00 H new ATOM 1162 N LYS A 80 -1.194 -14.188 1.143 1.00 0.00 N ATOM 1163 CA LYS A 80 -1.495 -14.635 2.492 1.00 0.00 C ATOM 1164 C LYS A 80 -1.363 -13.479 3.473 1.00 0.00 C ATOM 1165 O LYS A 80 -2.187 -13.310 4.369 1.00 0.00 O ATOM 1166 CB LYS A 80 -0.559 -15.781 2.893 1.00 0.00 C ATOM 1167 CG LYS A 80 -0.536 -16.923 1.888 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.924 -17.509 1.672 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.946 -18.466 0.490 1.00 0.00 C ATOM 1170 NZ LYS A 80 -3.300 -19.033 0.251 1.00 0.00 N ATOM 0 H LYS A 80 -0.227 -13.896 1.003 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.522 -14.998 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.452 -15.390 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.866 -16.168 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.140 -16.564 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.138 -17.704 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.243 -18.034 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.638 -16.703 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.610 -17.943 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.241 -19.277 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.233 -20.068 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.924 -18.789 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.691 -18.639 -0.629 1.00 0.00 H new ATOM 1184 N GLU A 81 -0.339 -12.664 3.270 1.00 0.00 N ATOM 1185 CA GLU A 81 -0.049 -11.534 4.156 1.00 0.00 C ATOM 1186 C GLU A 81 0.410 -10.376 3.291 1.00 0.00 C ATOM 1187 O GLU A 81 0.688 -10.594 2.117 1.00 0.00 O ATOM 1188 CB GLU A 81 1.065 -11.886 5.154 1.00 0.00 C ATOM 1189 CG GLU A 81 0.900 -13.230 5.851 1.00 0.00 C ATOM 1190 CD GLU A 81 -0.265 -13.268 6.819 1.00 0.00 C ATOM 1191 OE1 GLU A 81 -0.416 -12.322 7.618 1.00 0.00 O ATOM 1192 OE2 GLU A 81 -1.010 -14.268 6.817 1.00 0.00 O ATOM 0 H GLU A 81 0.314 -12.762 2.493 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.944 -11.278 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.019 -11.881 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.115 -11.104 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.763 -14.007 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.818 -13.467 6.389 1.00 0.00 H new ATOM 1199 N PHE A 82 0.490 -9.153 3.823 1.00 0.00 N ATOM 1200 CA PHE A 82 1.040 -8.059 3.028 1.00 0.00 C ATOM 1201 C PHE A 82 1.229 -6.801 3.853 1.00 0.00 C ATOM 1202 O PHE A 82 0.781 -6.718 4.996 1.00 0.00 O ATOM 1203 CB PHE A 82 0.153 -7.754 1.810 1.00 0.00 C ATOM 1204 CG PHE A 82 -1.117 -7.015 2.110 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -2.277 -7.695 2.435 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -1.150 -5.635 2.043 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -3.445 -7.008 2.694 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -2.313 -4.942 2.299 1.00 0.00 C ATOM 1209 CZ PHE A 82 -3.462 -5.629 2.626 1.00 0.00 C ATOM 0 H PHE A 82 0.192 -8.903 4.766 1.00 0.00 H new ATOM 0 HA PHE A 82 2.019 -8.388 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.734 -7.170 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.100 -8.695 1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.268 -8.774 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.252 -5.092 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.345 -7.548 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.324 -3.863 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.375 -5.089 2.829 1.00 0.00 H new ATOM 1219 N TYR A 83 1.900 -5.831 3.250 1.00 0.00 N ATOM 1220 CA TYR A 83 1.965 -4.479 3.770 1.00 0.00 C ATOM 1221 C TYR A 83 2.429 -3.542 2.670 1.00 0.00 C ATOM 1222 O TYR A 83 3.134 -3.958 1.756 1.00 0.00 O ATOM 1223 CB TYR A 83 2.848 -4.365 5.022 1.00 0.00 C ATOM 1224 CG TYR A 83 4.231 -4.994 4.967 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.150 -4.658 3.985 1.00 0.00 C ATOM 1226 CD2 TYR A 83 4.628 -5.890 5.952 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.423 -5.202 3.980 1.00 0.00 C ATOM 1228 CE2 TYR A 83 5.894 -6.442 5.952 1.00 0.00 C ATOM 1229 CZ TYR A 83 6.790 -6.096 4.965 1.00 0.00 C ATOM 1230 OH TYR A 83 8.060 -6.633 4.974 1.00 0.00 O ATOM 0 H TYR A 83 2.417 -5.964 2.381 1.00 0.00 H new ATOM 0 HA TYR A 83 0.964 -4.191 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.969 -3.307 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.308 -4.813 5.856 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.868 -3.960 3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.933 -6.160 6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.126 -4.928 3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.180 -7.142 6.723 1.00 0.00 H new ATOM 0 HH TYR A 83 8.056 -7.491 4.501 1.00 0.00 H new ATOM 1240 N ILE A 84 2.006 -2.292 2.725 1.00 0.00 N ATOM 1241 CA ILE A 84 2.301 -1.367 1.647 1.00 0.00 C ATOM 1242 C ILE A 84 3.460 -0.458 2.022 1.00 0.00 C ATOM 1243 O ILE A 84 3.557 -0.003 3.165 1.00 0.00 O ATOM 1244 CB ILE A 84 1.082 -0.500 1.274 1.00 0.00 C ATOM 1245 CG1 ILE A 84 -0.214 -1.323 1.280 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.299 0.125 -0.094 1.00 0.00 C ATOM 1247 CD1 ILE A 84 -0.189 -2.516 0.351 1.00 0.00 C ATOM 0 H ILE A 84 1.464 -1.898 3.494 1.00 0.00 H new ATOM 0 HA ILE A 84 2.569 -1.972 0.781 1.00 0.00 H new ATOM 0 HB ILE A 84 0.980 0.286 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.407 -1.670 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.045 -0.675 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.436 0.737 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.193 0.748 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.424 -0.662 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.140 -3.045 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.028 -2.177 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.619 -3.187 0.642 1.00 0.00 H new ATOM 1259 N LYS A 85 4.341 -0.203 1.068 1.00 0.00 N ATOM 1260 CA LYS A 85 5.474 0.645 1.295 1.00 0.00 C ATOM 1261 C LYS A 85 5.248 2.000 0.666 1.00 0.00 C ATOM 1262 O LYS A 85 4.536 2.136 -0.331 1.00 0.00 O ATOM 1263 CB LYS A 85 6.726 0.014 0.714 1.00 0.00 C ATOM 1264 CG LYS A 85 7.002 -1.378 1.237 1.00 0.00 C ATOM 1265 CD LYS A 85 8.324 -1.871 0.708 1.00 0.00 C ATOM 1266 CE LYS A 85 8.750 -3.178 1.360 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.129 -3.573 0.964 1.00 0.00 N ATOM 0 H LYS A 85 4.281 -0.581 0.123 1.00 0.00 H new ATOM 0 HA LYS A 85 5.603 0.769 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.632 -0.027 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.581 0.653 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.016 -1.370 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.204 -2.055 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.253 -2.011 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.089 -1.114 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.699 -3.076 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.052 -3.967 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.381 -4.468 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.172 -3.695 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.799 -2.832 1.253 1.00 0.00 H new ATOM 1281 N TYR A 86 5.872 2.986 1.250 1.00 0.00 N ATOM 1282 CA TYR A 86 5.756 4.356 0.787 1.00 0.00 C ATOM 1283 C TYR A 86 7.137 4.911 0.471 1.00 0.00 C ATOM 1284 O TYR A 86 7.919 5.199 1.381 1.00 0.00 O ATOM 1285 CB TYR A 86 5.062 5.204 1.856 1.00 0.00 C ATOM 1286 CG TYR A 86 4.858 6.649 1.465 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.292 6.984 0.246 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.223 7.675 2.319 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.101 8.299 -0.112 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.033 8.996 1.966 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.470 9.302 0.747 1.00 0.00 C ATOM 1292 OH TYR A 86 4.287 10.616 0.382 1.00 0.00 O ATOM 0 H TYR A 86 6.478 2.870 2.062 1.00 0.00 H new ATOM 0 HA TYR A 86 5.156 4.385 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.092 4.760 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.651 5.167 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.996 6.200 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.663 7.439 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.661 8.541 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.324 9.786 2.643 1.00 0.00 H new ATOM 0 HH TYR A 86 3.328 10.808 0.319 1.00 0.00 H new ATOM 1302 N GLU A 87 7.436 5.053 -0.814 1.00 0.00 N ATOM 1303 CA GLU A 87 8.746 5.511 -1.235 1.00 0.00 C ATOM 1304 C GLU A 87 8.682 6.965 -1.656 1.00 0.00 C ATOM 1305 O GLU A 87 7.832 7.364 -2.459 1.00 0.00 O ATOM 1306 CB GLU A 87 9.306 4.656 -2.376 1.00 0.00 C ATOM 1307 CG GLU A 87 10.772 4.944 -2.668 1.00 0.00 C ATOM 1308 CD GLU A 87 10.999 5.711 -3.961 1.00 0.00 C ATOM 1309 OE1 GLU A 87 10.600 6.888 -4.051 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.606 5.142 -4.894 1.00 0.00 O ATOM 0 H GLU A 87 6.789 4.857 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 87 9.420 5.411 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.191 3.602 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.720 4.833 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.193 5.514 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.316 4.001 -2.715 1.00 0.00 H new ATOM 1317 N VAL A 88 9.573 7.751 -1.090 1.00 0.00 N ATOM 1318 CA VAL A 88 9.643 9.162 -1.371 1.00 0.00 C ATOM 1319 C VAL A 88 11.062 9.506 -1.792 1.00 0.00 C ATOM 1320 O VAL A 88 12.000 8.774 -1.476 1.00 0.00 O ATOM 1321 CB VAL A 88 9.245 9.972 -0.121 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.028 11.431 -0.468 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.000 9.375 0.513 1.00 0.00 C ATOM 0 H VAL A 88 10.270 7.425 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 88 8.951 9.413 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 88 10.061 9.920 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.748 11.981 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.948 11.848 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.231 11.515 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.727 9.954 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.180 9.398 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.199 8.343 0.804 1.00 0.00 H new ATOM 1333 N SER A 89 11.219 10.616 -2.504 1.00 0.00 N ATOM 1334 CA SER A 89 12.516 11.014 -3.038 1.00 0.00 C ATOM 1335 C SER A 89 13.498 11.393 -1.931 1.00 0.00 C ATOM 1336 O SER A 89 14.658 11.701 -2.200 1.00 0.00 O ATOM 1337 CB SER A 89 12.336 12.176 -4.006 1.00 0.00 C ATOM 1338 OG SER A 89 11.302 11.894 -4.936 1.00 0.00 O ATOM 0 H SER A 89 10.459 11.260 -2.726 1.00 0.00 H new ATOM 0 HA SER A 89 12.939 10.159 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.097 13.084 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.270 12.362 -4.537 1.00 0.00 H new ATOM 0 HG SER A 89 11.198 12.651 -5.549 1.00 0.00 H new ATOM 1344 N GLY A 90 13.026 11.371 -0.696 1.00 0.00 N ATOM 1345 CA GLY A 90 13.887 11.635 0.434 1.00 0.00 C ATOM 1346 C GLY A 90 13.651 10.671 1.582 1.00 0.00 C ATOM 1347 O GLY A 90 14.561 10.380 2.358 1.00 0.00 O ATOM 0 H GLY A 90 12.055 11.173 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.928 11.569 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.723 12.655 0.781 1.00 0.00 H new ATOM 1351 N LYS A 91 12.433 10.151 1.686 1.00 0.00 N ATOM 1352 CA LYS A 91 12.071 9.308 2.812 1.00 0.00 C ATOM 1353 C LYS A 91 11.430 8.012 2.380 1.00 0.00 C ATOM 1354 O LYS A 91 11.223 7.746 1.198 1.00 0.00 O ATOM 1355 CB LYS A 91 11.111 10.035 3.747 1.00 0.00 C ATOM 1356 CG LYS A 91 11.800 10.720 4.904 1.00 0.00 C ATOM 1357 CD LYS A 91 12.132 9.731 6.006 1.00 0.00 C ATOM 1358 CE LYS A 91 12.813 10.412 7.179 1.00 0.00 C ATOM 1359 NZ LYS A 91 13.135 9.448 8.264 1.00 0.00 N ATOM 0 H LYS A 91 11.686 10.299 1.007 1.00 0.00 H new ATOM 0 HA LYS A 91 13.002 9.079 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.552 10.777 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.386 9.321 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.714 11.200 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.158 11.507 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.218 9.245 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.781 8.949 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.729 10.895 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.165 11.197 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.599 9.950 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.258 9.006 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.773 8.713 7.897 1.00 0.00 H new ATOM 1373 N THR A 92 11.138 7.210 3.374 1.00 0.00 N ATOM 1374 CA THR A 92 10.440 5.954 3.188 1.00 0.00 C ATOM 1375 C THR A 92 9.633 5.639 4.439 1.00 0.00 C ATOM 1376 O THR A 92 10.076 5.912 5.555 1.00 0.00 O ATOM 1377 CB THR A 92 11.408 4.789 2.906 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.409 5.206 1.966 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.662 3.579 2.349 1.00 0.00 C ATOM 0 H THR A 92 11.379 7.409 4.345 1.00 0.00 H new ATOM 0 HA THR A 92 9.786 6.063 2.323 1.00 0.00 H new ATOM 0 HB THR A 92 11.879 4.503 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.023 4.463 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.369 2.771 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.917 3.246 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.167 3.854 1.418 1.00 0.00 H new ATOM 1387 N TYR A 93 8.450 5.090 4.250 1.00 0.00 N ATOM 1388 CA TYR A 93 7.608 4.667 5.363 1.00 0.00 C ATOM 1389 C TYR A 93 6.877 3.400 4.969 1.00 0.00 C ATOM 1390 O TYR A 93 7.115 2.844 3.894 1.00 0.00 O ATOM 1391 CB TYR A 93 6.578 5.737 5.763 1.00 0.00 C ATOM 1392 CG TYR A 93 7.140 7.117 5.957 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.616 7.551 7.187 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.176 7.986 4.897 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.118 8.830 7.340 1.00 0.00 C ATOM 1396 CE2 TYR A 93 7.672 9.267 5.032 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.142 9.685 6.258 1.00 0.00 C ATOM 1398 OH TYR A 93 8.634 10.962 6.403 1.00 0.00 O ATOM 0 H TYR A 93 8.043 4.923 3.330 1.00 0.00 H new ATOM 0 HA TYR A 93 8.256 4.499 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.805 5.780 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.093 5.425 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.594 6.882 8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.808 7.661 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.489 9.157 8.300 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.692 9.936 4.184 1.00 0.00 H new ATOM 0 HH TYR A 93 8.580 11.433 5.545 1.00 0.00 H new ATOM 1408 N TYR A 94 5.964 2.981 5.821 1.00 0.00 N ATOM 1409 CA TYR A 94 5.247 1.723 5.645 1.00 0.00 C ATOM 1410 C TYR A 94 3.858 1.819 6.262 1.00 0.00 C ATOM 1411 O TYR A 94 3.658 2.535 7.245 1.00 0.00 O ATOM 1412 CB TYR A 94 5.991 0.555 6.314 1.00 0.00 C ATOM 1413 CG TYR A 94 7.433 0.372 5.884 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.749 -0.171 4.646 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.477 0.727 6.730 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.064 -0.355 4.263 1.00 0.00 C ATOM 1417 CE2 TYR A 94 9.793 0.548 6.353 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.082 0.007 5.119 1.00 0.00 C ATOM 1419 OH TYR A 94 11.393 -0.181 4.741 1.00 0.00 O ATOM 0 H TYR A 94 5.694 3.499 6.657 1.00 0.00 H new ATOM 0 HA TYR A 94 5.176 1.538 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.967 0.702 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.448 -0.367 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.954 -0.454 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.255 1.150 7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.293 -0.781 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.592 0.831 7.022 1.00 0.00 H new ATOM 0 HH TYR A 94 11.987 0.127 5.457 1.00 0.00 H new ATOM 1429 N ASP A 95 2.908 1.108 5.677 1.00 0.00 N ATOM 1430 CA ASP A 95 1.598 0.922 6.286 1.00 0.00 C ATOM 1431 C ASP A 95 1.366 -0.565 6.509 1.00 0.00 C ATOM 1432 O ASP A 95 1.027 -1.302 5.579 1.00 0.00 O ATOM 1433 CB ASP A 95 0.480 1.511 5.417 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.895 1.303 6.035 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -1.180 1.913 7.087 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.691 0.521 5.477 1.00 0.00 O ATOM 0 H ASP A 95 3.020 0.646 4.774 1.00 0.00 H new ATOM 0 HA ASP A 95 1.578 1.451 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.656 2.577 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.507 1.049 4.430 1.00 0.00 H new ATOM 1441 N ASN A 96 1.599 -1.009 7.735 1.00 0.00 N ATOM 1442 CA ASN A 96 1.531 -2.428 8.061 1.00 0.00 C ATOM 1443 C ASN A 96 0.990 -2.650 9.465 1.00 0.00 C ATOM 1444 O ASN A 96 1.677 -3.215 10.322 1.00 0.00 O ATOM 1445 CB ASN A 96 2.916 -3.081 7.908 1.00 0.00 C ATOM 1446 CG ASN A 96 4.008 -2.458 8.767 1.00 0.00 C ATOM 1447 OD1 ASN A 96 3.954 -1.284 9.127 1.00 0.00 O ATOM 1448 ND2 ASN A 96 5.023 -3.249 9.087 1.00 0.00 N ATOM 0 H ASN A 96 1.837 -0.407 8.523 1.00 0.00 H new ATOM 0 HA ASN A 96 0.841 -2.899 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 96 2.834 -4.139 8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.217 -3.023 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.793 -2.888 9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.034 -4.218 8.770 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.255 -2.216 9.683 1.00 0.00 N ATOM 1456 CA ASN A 97 -0.931 -2.337 10.984 1.00 0.00 C ATOM 1457 C ASN A 97 -0.306 -1.371 11.987 1.00 0.00 C ATOM 1458 O ASN A 97 -0.942 -0.428 12.451 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.856 -3.777 11.530 1.00 0.00 C ATOM 1460 CG ASN A 97 -1.511 -4.815 10.633 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -1.590 -4.657 9.419 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -1.964 -5.901 11.232 1.00 0.00 N ATOM 0 H ASN A 97 -0.825 -1.770 8.964 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.982 -2.086 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.191 -4.045 11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.331 -3.808 12.510 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.397 -6.643 10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.881 -5.998 12.244 1.00 0.00 H new ATOM 1469 N ASN A 98 0.949 -1.627 12.302 1.00 0.00 N ATOM 1470 CA ASN A 98 1.758 -0.770 13.148 1.00 0.00 C ATOM 1471 C ASN A 98 3.205 -1.076 12.829 1.00 0.00 C ATOM 1472 O ASN A 98 3.993 -0.188 12.502 1.00 0.00 O ATOM 1473 CB ASN A 98 1.487 -1.020 14.637 1.00 0.00 C ATOM 1474 CG ASN A 98 2.213 -0.025 15.530 1.00 0.00 C ATOM 1475 OD1 ASN A 98 2.401 1.136 15.162 1.00 0.00 O ATOM 1476 ND2 ASN A 98 2.627 -0.465 16.706 1.00 0.00 N ATOM 0 H ASN A 98 1.445 -2.454 11.970 1.00 0.00 H new ATOM 0 HA ASN A 98 1.515 0.275 12.955 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.415 -0.958 14.824 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.798 -2.032 14.896 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.119 0.163 17.341 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.454 -1.433 16.978 1.00 0.00 H new ATOM 1483 N SER A 99 3.535 -2.361 12.922 1.00 0.00 N ATOM 1484 CA SER A 99 4.807 -2.885 12.445 1.00 0.00 C ATOM 1485 C SER A 99 4.683 -4.381 12.163 1.00 0.00 C ATOM 1486 O SER A 99 5.558 -5.170 12.522 1.00 0.00 O ATOM 1487 CB SER A 99 5.920 -2.638 13.467 1.00 0.00 C ATOM 1488 OG SER A 99 6.156 -1.253 13.658 1.00 0.00 O ATOM 0 H SER A 99 2.925 -3.068 13.332 1.00 0.00 H new ATOM 0 HA SER A 99 5.066 -2.364 11.523 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.649 -3.096 14.418 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.837 -3.121 13.130 1.00 0.00 H new ATOM 0 HG SER A 99 5.632 -0.739 13.008 1.00 0.00 H new ATOM 1494 N ALA A 100 3.597 -4.770 11.504 1.00 0.00 N ATOM 1495 CA ALA A 100 3.340 -6.177 11.240 1.00 0.00 C ATOM 1496 C ALA A 100 3.045 -6.439 9.762 1.00 0.00 C ATOM 1497 O ALA A 100 3.931 -6.309 8.917 1.00 0.00 O ATOM 1498 CB ALA A 100 2.203 -6.683 12.119 1.00 0.00 C ATOM 0 H ALA A 100 2.885 -4.133 11.145 1.00 0.00 H new ATOM 0 HA ALA A 100 4.247 -6.729 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.023 -7.737 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.473 -6.562 13.168 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.299 -6.112 11.909 1.00 0.00 H new ATOM 1504 N ASN A 101 1.787 -6.754 9.467 1.00 0.00 N ATOM 1505 CA ASN A 101 1.358 -7.264 8.157 1.00 0.00 C ATOM 1506 C ASN A 101 -0.121 -7.602 8.223 1.00 0.00 C ATOM 1507 O ASN A 101 -0.622 -8.000 9.274 1.00 0.00 O ATOM 1508 CB ASN A 101 2.181 -8.503 7.746 1.00 0.00 C ATOM 1509 CG ASN A 101 2.227 -9.586 8.808 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.077 -9.564 9.702 1.00 0.00 O ATOM 1511 ND2 ASN A 101 1.345 -10.559 8.707 1.00 0.00 N ATOM 0 H ASN A 101 1.023 -6.663 10.136 1.00 0.00 H new ATOM 0 HA ASN A 101 1.526 -6.497 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.759 -8.921 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.199 -8.191 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.351 -11.325 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.656 -10.546 7.955 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.820 -7.407 7.116 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.254 -7.657 7.061 1.00 0.00 C ATOM 1520 C TYR A 102 -2.532 -9.120 6.754 1.00 0.00 C ATOM 1521 O TYR A 102 -1.814 -9.742 5.967 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.913 -6.765 6.008 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.823 -5.288 6.322 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -1.732 -4.535 5.909 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -3.826 -4.651 7.039 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -1.640 -3.190 6.203 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -3.745 -3.304 7.336 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.649 -2.579 6.917 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.561 -1.243 7.223 1.00 0.00 O ATOM 0 H TYR A 102 -0.417 -7.075 6.240 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.678 -7.420 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.445 -6.951 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.962 -7.044 5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.941 -5.010 5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.684 -5.217 7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.783 -2.620 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.535 -2.822 7.893 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.308 -0.740 6.421 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.576 -9.652 7.379 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.916 -11.069 7.269 1.00 0.00 C ATOM 1541 C GLN A 103 -4.915 -11.313 6.150 1.00 0.00 C ATOM 1542 O GLN A 103 -6.098 -10.995 6.282 1.00 0.00 O ATOM 1543 CB GLN A 103 -4.517 -11.595 8.582 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.514 -11.882 9.690 1.00 0.00 C ATOM 1545 CD GLN A 103 -2.667 -10.690 10.055 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -3.023 -9.890 10.921 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.536 -10.572 9.398 1.00 0.00 N ATOM 0 H GLN A 103 -4.209 -9.118 7.974 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.989 -11.599 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.239 -10.866 8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.069 -12.511 8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.050 -12.222 10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.863 -12.699 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.284 -11.260 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.910 -9.792 9.597 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.444 -11.887 5.059 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.320 -12.285 3.971 1.00 0.00 C ATOM 1558 C VAL A 104 -5.702 -13.749 4.146 1.00 0.00 C ATOM 1559 O VAL A 104 -4.882 -14.644 3.941 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.653 -12.090 2.600 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.650 -12.335 1.484 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -4.059 -10.699 2.485 1.00 0.00 C ATOM 0 H VAL A 104 -3.457 -12.089 4.902 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.207 -11.653 4.003 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.845 -12.816 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.160 -12.192 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.028 -13.355 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.479 -11.634 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.592 -10.582 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.848 -9.956 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.310 -10.558 3.264 1.00 0.00 H new ATOM 1572 N SER A 105 -6.944 -13.990 4.529 1.00 0.00 N ATOM 1573 CA SER A 105 -7.378 -15.329 4.911 1.00 0.00 C ATOM 1574 C SER A 105 -7.927 -16.119 3.724 1.00 0.00 C ATOM 1575 O SER A 105 -9.072 -16.575 3.739 1.00 0.00 O ATOM 1576 CB SER A 105 -8.422 -15.230 6.020 1.00 0.00 C ATOM 1577 OG SER A 105 -7.913 -14.482 7.115 1.00 0.00 O ATOM 0 H SER A 105 -7.672 -13.278 4.585 1.00 0.00 H new ATOM 0 HA SER A 105 -6.507 -15.873 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.325 -14.756 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.703 -16.229 6.353 1.00 0.00 H new ATOM 0 HG SER A 105 -8.594 -14.426 7.817 1.00 0.00 H new ATOM 1583 N THR A 106 -7.109 -16.278 2.698 1.00 0.00 N ATOM 1584 CA THR A 106 -7.472 -17.087 1.546 1.00 0.00 C ATOM 1585 C THR A 106 -6.213 -17.695 0.926 1.00 0.00 C ATOM 1586 O THR A 106 -5.774 -18.760 1.412 1.00 0.00 O ATOM 1587 CB THR A 106 -8.260 -16.257 0.505 1.00 0.00 C ATOM 1588 OG1 THR A 106 -9.432 -15.697 1.116 1.00 0.00 O ATOM 1589 CG2 THR A 106 -8.675 -17.101 -0.695 1.00 0.00 C ATOM 1590 OXT THR A 106 -5.640 -17.098 -0.007 1.00 0.00 O ATOM 0 H THR A 106 -6.183 -15.855 2.639 1.00 0.00 H new ATOM 0 HA THR A 106 -8.126 -17.894 1.878 1.00 0.00 H new ATOM 0 HB THR A 106 -7.603 -15.463 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 106 -9.927 -15.171 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.226 -16.481 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.787 -17.504 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 106 -9.310 -17.922 -0.361 1.00 0.00 H new