USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 16 HIS : no HE2:sc= -0.859 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 27 TYR OH : rot 168:sc= -0.581 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.17! C(o=-6.2!,f=-6.5!) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= 0.337 (180deg=-0.351) USER MOD Single : A 12 CYS SG : rot -110:sc= -2.18! USER MOD Single : A 13 MET CE :methyl 163:sc= -0.0576 (180deg=-0.165) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -101:sc= -2.9! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -179:sc= 0 (180deg=-0.00185) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 43 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 0.0521 (180deg=-0.127) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 69:sc= 0.36 USER MOD Single : A 53 GLN : amide:sc= -2.95! C(o=-2.9!,f=-4.2!) USER MOD Single : A 61 MET CE :methyl 160:sc= -5.52! (180deg=-7.29!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.871 F(o=-2.1!,f=-0.87) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.0053 X(o=0.0053,f=-0.016) USER MOD Single : A 73 THR OG1 : rot 88:sc= 1.12 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.511 12.647 2.102 1.00 0.00 N ATOM 31 CA PRO A 3 66.460 11.262 1.580 1.00 0.00 C ATOM 32 C PRO A 3 65.335 11.123 0.553 1.00 0.00 C ATOM 33 O PRO A 3 65.392 10.299 -0.336 1.00 0.00 O ATOM 34 CB PRO A 3 66.169 10.435 2.835 1.00 0.00 C ATOM 35 CG PRO A 3 66.059 11.390 4.041 1.00 0.00 C ATOM 36 CD PRO A 3 66.304 12.827 3.559 1.00 0.00 C ATOM 0 HA PRO A 3 67.371 10.951 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.243 9.874 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.963 9.707 3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.073 11.308 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.788 11.119 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.454 13.476 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.174 13.273 4.040 1.00 0.00 H new ATOM 44 N GLU A 4 64.319 11.932 0.661 1.00 0.00 N ATOM 45 CA GLU A 4 63.201 11.853 -0.320 1.00 0.00 C ATOM 46 C GLU A 4 63.695 12.334 -1.686 1.00 0.00 C ATOM 47 O GLU A 4 63.344 11.791 -2.716 1.00 0.00 O ATOM 48 CB GLU A 4 62.124 12.792 0.228 1.00 0.00 C ATOM 49 CG GLU A 4 61.110 13.112 -0.872 1.00 0.00 C ATOM 50 CD GLU A 4 59.700 12.779 -0.379 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.302 11.634 -0.513 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.044 13.676 0.124 1.00 0.00 O ATOM 0 H GLU A 4 64.214 12.643 1.384 1.00 0.00 H new ATOM 0 HA GLU A 4 62.819 10.840 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.621 12.328 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.581 13.712 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.172 14.166 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.338 12.538 -1.770 1.00 0.00 H new ATOM 59 N VAL A 5 64.520 13.346 -1.694 1.00 0.00 N ATOM 60 CA VAL A 5 65.053 13.865 -2.985 1.00 0.00 C ATOM 61 C VAL A 5 65.880 12.781 -3.674 1.00 0.00 C ATOM 62 O VAL A 5 65.683 12.479 -4.833 1.00 0.00 O ATOM 63 CB VAL A 5 65.929 15.057 -2.603 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.752 15.500 -3.814 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.038 16.213 -2.144 1.00 0.00 C ATOM 0 H VAL A 5 64.848 13.836 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 5 64.264 14.155 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 5 66.602 14.768 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.376 16.350 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.386 14.677 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.082 15.789 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.660 17.065 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.367 16.499 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.452 15.900 -1.280 1.00 0.00 H new ATOM 75 N LEU A 6 66.795 12.184 -2.965 1.00 0.00 N ATOM 76 CA LEU A 6 67.622 11.109 -3.582 1.00 0.00 C ATOM 77 C LEU A 6 66.766 9.856 -3.777 1.00 0.00 C ATOM 78 O LEU A 6 67.069 8.996 -4.580 1.00 0.00 O ATOM 79 CB LEU A 6 68.768 10.856 -2.592 1.00 0.00 C ATOM 80 CG LEU A 6 68.308 9.916 -1.474 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.388 8.469 -1.959 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.216 10.093 -0.253 1.00 0.00 C ATOM 0 H LEU A 6 67.006 12.392 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 6 68.010 11.385 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.620 10.421 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.105 11.801 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 6 67.279 10.153 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.061 7.800 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.744 8.341 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.417 8.233 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.889 9.424 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.244 9.856 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.162 11.125 0.094 1.00 0.00 H new ATOM 94 N ALA A 7 65.690 9.756 -3.046 1.00 0.00 N ATOM 95 CA ALA A 7 64.796 8.571 -3.181 1.00 0.00 C ATOM 96 C ALA A 7 64.171 8.556 -4.577 1.00 0.00 C ATOM 97 O ALA A 7 64.002 7.517 -5.182 1.00 0.00 O ATOM 98 CB ALA A 7 63.722 8.762 -2.112 1.00 0.00 C ATOM 0 H ALA A 7 65.390 10.447 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 7 65.327 7.627 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.022 7.927 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.191 8.802 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.186 9.693 -2.297 1.00 0.00 H new ATOM 104 N LYS A 8 63.835 9.705 -5.095 1.00 0.00 N ATOM 105 CA LYS A 8 63.229 9.760 -6.456 1.00 0.00 C ATOM 106 C LYS A 8 64.334 9.744 -7.518 1.00 0.00 C ATOM 107 O LYS A 8 64.198 9.136 -8.561 1.00 0.00 O ATOM 108 CB LYS A 8 62.464 11.085 -6.497 1.00 0.00 C ATOM 109 CG LYS A 8 60.968 10.806 -6.653 1.00 0.00 C ATOM 110 CD LYS A 8 60.169 11.965 -6.054 1.00 0.00 C ATOM 111 CE LYS A 8 58.691 11.808 -6.415 1.00 0.00 C ATOM 112 NZ LYS A 8 57.951 12.178 -5.176 1.00 0.00 N ATOM 0 H LYS A 8 63.954 10.608 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 8 62.577 8.910 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.646 11.651 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 8 62.819 11.697 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.718 10.684 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.707 9.873 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 8 60.290 11.982 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.547 12.915 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.417 12.456 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 8 58.465 10.786 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 56.928 12.095 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 58.227 11.540 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.180 13.158 -4.914 1.00 0.00 H new ATOM 126 N ASN A 9 65.424 10.413 -7.257 1.00 0.00 N ATOM 127 CA ASN A 9 66.542 10.446 -8.248 1.00 0.00 C ATOM 128 C ASN A 9 67.070 9.033 -8.526 1.00 0.00 C ATOM 129 O ASN A 9 67.464 8.720 -9.632 1.00 0.00 O ATOM 130 CB ASN A 9 67.629 11.295 -7.587 1.00 0.00 C ATOM 131 CG ASN A 9 67.009 12.575 -7.026 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.602 13.235 -6.195 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.835 12.960 -7.446 1.00 0.00 N ATOM 0 H ASN A 9 65.591 10.940 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 9 66.220 10.853 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.109 10.731 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.404 11.542 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.416 13.814 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.336 12.407 -8.143 1.00 0.00 H new ATOM 140 N LYS A 10 67.090 8.182 -7.536 1.00 0.00 N ATOM 141 CA LYS A 10 67.605 6.799 -7.758 1.00 0.00 C ATOM 142 C LYS A 10 66.481 5.887 -8.257 1.00 0.00 C ATOM 143 O LYS A 10 66.723 4.798 -8.742 1.00 0.00 O ATOM 144 CB LYS A 10 68.104 6.339 -6.390 1.00 0.00 C ATOM 145 CG LYS A 10 69.131 7.340 -5.858 1.00 0.00 C ATOM 146 CD LYS A 10 70.323 7.407 -6.815 1.00 0.00 C ATOM 147 CE LYS A 10 71.483 8.141 -6.139 1.00 0.00 C ATOM 148 NZ LYS A 10 71.055 9.567 -6.079 1.00 0.00 N ATOM 0 H LYS A 10 66.774 8.382 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 10 68.393 6.768 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.268 6.256 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.553 5.349 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.676 8.325 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.465 7.041 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.632 6.401 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.038 7.923 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.674 7.744 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.406 8.030 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.704 10.148 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 70.090 9.656 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.072 9.893 -5.092 1.00 0.00 H new ATOM 162 N GLY A 11 65.258 6.322 -8.146 1.00 0.00 N ATOM 163 CA GLY A 11 64.123 5.480 -8.617 1.00 0.00 C ATOM 164 C GLY A 11 63.543 4.689 -7.444 1.00 0.00 C ATOM 165 O GLY A 11 62.732 3.802 -7.626 1.00 0.00 O ATOM 0 H GLY A 11 64.994 7.224 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.351 6.109 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.463 4.797 -9.395 1.00 0.00 H new ATOM 169 N CYS A 12 63.945 4.998 -6.240 1.00 0.00 N ATOM 170 CA CYS A 12 63.399 4.252 -5.071 1.00 0.00 C ATOM 171 C CYS A 12 61.889 4.472 -4.968 1.00 0.00 C ATOM 172 O CYS A 12 61.143 3.574 -4.642 1.00 0.00 O ATOM 173 CB CYS A 12 64.096 4.834 -3.837 1.00 0.00 C ATOM 174 SG CYS A 12 65.884 4.943 -4.106 1.00 0.00 S ATOM 0 H CYS A 12 64.622 5.728 -6.017 1.00 0.00 H new ATOM 0 HA CYS A 12 63.573 3.180 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.695 5.824 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.891 4.209 -2.968 1.00 0.00 H new ATOM 0 HG CYS A 12 66.490 4.070 -3.357 1.00 0.00 H new ATOM 179 N MET A 13 61.437 5.667 -5.232 1.00 0.00 N ATOM 180 CA MET A 13 59.976 5.951 -5.133 1.00 0.00 C ATOM 181 C MET A 13 59.238 5.479 -6.390 1.00 0.00 C ATOM 182 O MET A 13 58.047 5.677 -6.528 1.00 0.00 O ATOM 183 CB MET A 13 59.885 7.470 -5.001 1.00 0.00 C ATOM 184 CG MET A 13 60.002 7.858 -3.527 1.00 0.00 C ATOM 185 SD MET A 13 58.670 9.003 -3.095 1.00 0.00 S ATOM 186 CE MET A 13 57.971 8.028 -1.740 1.00 0.00 C ATOM 0 H MET A 13 62.015 6.459 -5.512 1.00 0.00 H new ATOM 0 HA MET A 13 59.516 5.430 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.679 7.945 -5.578 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.939 7.826 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 13 59.948 6.968 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.970 8.322 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.331 8.663 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.383 7.206 -2.149 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.778 7.627 -1.126 1.00 0.00 H new ATOM 196 N ALA A 14 59.928 4.860 -7.308 1.00 0.00 N ATOM 197 CA ALA A 14 59.251 4.384 -8.548 1.00 0.00 C ATOM 198 C ALA A 14 58.618 3.011 -8.317 1.00 0.00 C ATOM 199 O ALA A 14 57.502 2.755 -8.721 1.00 0.00 O ATOM 200 CB ALA A 14 60.359 4.299 -9.598 1.00 0.00 C ATOM 0 H ALA A 14 60.927 4.664 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 14 58.447 5.051 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.939 3.954 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.805 5.284 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.124 3.598 -9.264 1.00 0.00 H new ATOM 206 N CYS A 15 59.322 2.127 -7.669 1.00 0.00 N ATOM 207 CA CYS A 15 58.766 0.767 -7.409 1.00 0.00 C ATOM 208 C CYS A 15 58.185 0.688 -5.996 1.00 0.00 C ATOM 209 O CYS A 15 57.372 -0.164 -5.696 1.00 0.00 O ATOM 210 CB CYS A 15 59.961 -0.180 -7.500 1.00 0.00 C ATOM 211 SG CYS A 15 60.411 -0.485 -9.228 1.00 0.00 S ATOM 0 H CYS A 15 60.262 2.286 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 15 57.973 0.522 -8.115 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.811 0.248 -6.968 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.721 -1.124 -7.010 1.00 0.00 H new ATOM 0 HG CYS A 15 61.430 -1.291 -9.275 1.00 0.00 H new ATOM 216 N HIS A 16 58.632 1.537 -5.113 1.00 0.00 N ATOM 217 CA HIS A 16 58.141 1.469 -3.708 1.00 0.00 C ATOM 218 C HIS A 16 57.127 2.568 -3.391 1.00 0.00 C ATOM 219 O HIS A 16 56.725 3.346 -4.235 1.00 0.00 O ATOM 220 CB HIS A 16 59.390 1.670 -2.853 1.00 0.00 C ATOM 221 CG HIS A 16 60.072 0.352 -2.629 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.500 -0.654 -1.865 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.283 -0.139 -3.052 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.358 -1.688 -1.851 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.459 -1.428 -2.559 1.00 0.00 N ATOM 0 H HIS A 16 59.313 2.272 -5.302 1.00 0.00 H new ATOM 0 HA HIS A 16 57.630 0.524 -3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.072 2.363 -3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.119 2.116 -1.896 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.594 -0.616 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 16 61.989 0.393 -3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.178 -2.617 -1.330 1.00 0.00 H new ATOM 233 N ALA A 17 56.733 2.623 -2.150 1.00 0.00 N ATOM 234 CA ALA A 17 55.761 3.645 -1.681 1.00 0.00 C ATOM 235 C ALA A 17 55.857 3.727 -0.157 1.00 0.00 C ATOM 236 O ALA A 17 56.730 3.137 0.440 1.00 0.00 O ATOM 237 CB ALA A 17 54.386 3.133 -2.112 1.00 0.00 C ATOM 0 H ALA A 17 57.054 1.984 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 17 55.948 4.638 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.619 3.841 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.360 3.029 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.197 2.164 -1.650 1.00 0.00 H new ATOM 243 N ILE A 18 54.981 4.438 0.484 1.00 0.00 N ATOM 244 CA ILE A 18 55.063 4.523 1.971 1.00 0.00 C ATOM 245 C ILE A 18 54.313 3.349 2.608 1.00 0.00 C ATOM 246 O ILE A 18 54.910 2.465 3.187 1.00 0.00 O ATOM 247 CB ILE A 18 54.405 5.856 2.325 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.009 6.961 1.457 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.652 6.175 3.799 1.00 0.00 C ATOM 250 CD1 ILE A 18 56.483 7.153 1.825 1.00 0.00 C ATOM 0 H ILE A 18 54.218 4.960 0.054 1.00 0.00 H new ATOM 0 HA ILE A 18 56.088 4.472 2.338 1.00 0.00 H new ATOM 0 HB ILE A 18 53.332 5.792 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 18 54.918 6.700 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 18 54.462 7.893 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.182 7.126 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.226 5.386 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.724 6.241 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.913 7.941 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.562 7.433 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.024 6.222 1.656 1.00 0.00 H new ATOM 262 N ASP A 19 53.014 3.325 2.503 1.00 0.00 N ATOM 263 CA ASP A 19 52.245 2.196 3.103 1.00 0.00 C ATOM 264 C ASP A 19 51.659 1.313 1.997 1.00 0.00 C ATOM 265 O ASP A 19 51.308 0.171 2.222 1.00 0.00 O ATOM 266 CB ASP A 19 51.130 2.857 3.914 1.00 0.00 C ATOM 267 CG ASP A 19 50.917 2.077 5.212 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.248 0.904 5.236 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.427 2.668 6.161 1.00 0.00 O ATOM 0 H ASP A 19 52.453 4.034 2.031 1.00 0.00 H new ATOM 0 HA ASP A 19 52.870 1.555 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.391 3.891 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.207 2.879 3.334 1.00 0.00 H new ATOM 274 N THR A 20 51.554 1.833 0.804 1.00 0.00 N ATOM 275 CA THR A 20 50.995 1.022 -0.316 1.00 0.00 C ATOM 276 C THR A 20 52.001 -0.050 -0.740 1.00 0.00 C ATOM 277 O THR A 20 52.991 -0.278 -0.079 1.00 0.00 O ATOM 278 CB THR A 20 50.760 2.017 -1.455 1.00 0.00 C ATOM 279 OG1 THR A 20 51.774 3.011 -1.432 1.00 0.00 O ATOM 280 CG2 THR A 20 49.391 2.675 -1.284 1.00 0.00 C ATOM 0 H THR A 20 51.831 2.783 0.556 1.00 0.00 H new ATOM 0 HA THR A 20 50.077 0.507 -0.034 1.00 0.00 H new ATOM 0 HB THR A 20 50.791 1.491 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.423 3.827 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.224 3.384 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.615 1.910 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.357 3.201 -0.330 1.00 0.00 H new ATOM 288 N LYS A 21 51.759 -0.711 -1.839 1.00 0.00 N ATOM 289 CA LYS A 21 52.709 -1.766 -2.290 1.00 0.00 C ATOM 290 C LYS A 21 52.692 -1.889 -3.817 1.00 0.00 C ATOM 291 O LYS A 21 51.964 -2.684 -4.376 1.00 0.00 O ATOM 292 CB LYS A 21 52.204 -3.055 -1.643 1.00 0.00 C ATOM 293 CG LYS A 21 50.811 -3.388 -2.182 1.00 0.00 C ATOM 294 CD LYS A 21 50.041 -4.204 -1.142 1.00 0.00 C ATOM 295 CE LYS A 21 49.327 -5.369 -1.832 1.00 0.00 C ATOM 296 NZ LYS A 21 48.862 -6.244 -0.721 1.00 0.00 N ATOM 0 H LYS A 21 50.948 -0.567 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 21 53.737 -1.540 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 21 52.892 -3.874 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 21 52.168 -2.940 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 21 50.270 -2.470 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.895 -3.951 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.725 -4.582 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.316 -3.570 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 21 48.490 -5.018 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 21 50.000 -5.904 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 48.362 -7.067 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 49.681 -6.568 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 48.218 -5.709 -0.104 1.00 0.00 H new ATOM 310 N MET A 22 53.491 -1.112 -4.494 1.00 0.00 N ATOM 311 CA MET A 22 53.522 -1.192 -5.982 1.00 0.00 C ATOM 312 C MET A 22 54.378 -2.388 -6.423 1.00 0.00 C ATOM 313 O MET A 22 53.937 -3.520 -6.383 1.00 0.00 O ATOM 314 CB MET A 22 54.143 0.131 -6.435 1.00 0.00 C ATOM 315 CG MET A 22 53.052 1.201 -6.520 1.00 0.00 C ATOM 316 SD MET A 22 53.531 2.457 -7.731 1.00 0.00 S ATOM 317 CE MET A 22 54.703 3.350 -6.680 1.00 0.00 C ATOM 0 H MET A 22 54.123 -0.426 -4.082 1.00 0.00 H new ATOM 0 HA MET A 22 52.533 -1.338 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.918 0.441 -5.734 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.623 0.007 -7.406 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.104 0.747 -6.807 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.902 1.661 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.115 4.195 -7.231 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.190 3.713 -5.790 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.511 2.680 -6.385 1.00 0.00 H new ATOM 327 N VAL A 23 55.596 -2.154 -6.838 1.00 0.00 N ATOM 328 CA VAL A 23 56.463 -3.286 -7.270 1.00 0.00 C ATOM 329 C VAL A 23 57.132 -3.931 -6.052 1.00 0.00 C ATOM 330 O VAL A 23 57.419 -5.110 -6.039 1.00 0.00 O ATOM 331 CB VAL A 23 57.508 -2.655 -8.190 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.270 -3.756 -8.929 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.809 -1.748 -9.207 1.00 0.00 C ATOM 0 H VAL A 23 56.025 -1.230 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 23 55.900 -4.071 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 23 58.207 -2.066 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.015 -3.306 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.767 -4.403 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.572 -4.345 -9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.553 -1.297 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.110 -2.338 -9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.266 -0.963 -8.681 1.00 0.00 H new ATOM 343 N GLY A 24 57.372 -3.163 -5.026 1.00 0.00 N ATOM 344 CA GLY A 24 58.013 -3.726 -3.802 1.00 0.00 C ATOM 345 C GLY A 24 57.078 -3.510 -2.607 1.00 0.00 C ATOM 346 O GLY A 24 56.081 -2.825 -2.723 1.00 0.00 O ATOM 0 H GLY A 24 57.152 -2.168 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.213 -4.789 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.973 -3.241 -3.622 1.00 0.00 H new ATOM 350 N PRO A 25 57.422 -4.103 -1.490 1.00 0.00 N ATOM 351 CA PRO A 25 56.592 -3.967 -0.271 1.00 0.00 C ATOM 352 C PRO A 25 56.599 -2.514 0.210 1.00 0.00 C ATOM 353 O PRO A 25 57.596 -1.828 0.109 1.00 0.00 O ATOM 354 CB PRO A 25 57.309 -4.880 0.728 1.00 0.00 C ATOM 355 CG PRO A 25 58.533 -5.508 0.032 1.00 0.00 C ATOM 356 CD PRO A 25 58.645 -4.932 -1.384 1.00 0.00 C ATOM 0 HA PRO A 25 55.545 -4.232 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.623 -4.311 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.633 -5.659 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.440 -5.296 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.429 -6.592 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.550 -4.338 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.671 -5.716 -2.140 1.00 0.00 H new ATOM 364 N ALA A 26 55.500 -2.038 0.729 1.00 0.00 N ATOM 365 CA ALA A 26 55.467 -0.628 1.209 1.00 0.00 C ATOM 366 C ALA A 26 56.745 -0.319 1.987 1.00 0.00 C ATOM 367 O ALA A 26 57.455 -1.211 2.408 1.00 0.00 O ATOM 368 CB ALA A 26 54.247 -0.541 2.125 1.00 0.00 C ATOM 0 H ALA A 26 54.631 -2.560 0.841 1.00 0.00 H new ATOM 0 HA ALA A 26 55.404 0.088 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.158 0.472 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.349 -0.791 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.362 -1.242 2.952 1.00 0.00 H new ATOM 374 N TYR A 27 57.044 0.933 2.183 1.00 0.00 N ATOM 375 CA TYR A 27 58.277 1.285 2.937 1.00 0.00 C ATOM 376 C TYR A 27 58.035 1.084 4.434 1.00 0.00 C ATOM 377 O TYR A 27 58.687 0.282 5.080 1.00 0.00 O ATOM 378 CB TYR A 27 58.531 2.759 2.609 1.00 0.00 C ATOM 379 CG TYR A 27 59.417 2.869 1.386 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.498 1.994 1.214 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.160 3.853 0.424 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.316 2.106 0.082 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.976 3.964 -0.706 1.00 0.00 C ATOM 384 CZ TYR A 27 61.055 3.090 -0.878 1.00 0.00 C ATOM 385 OH TYR A 27 61.861 3.202 -1.992 1.00 0.00 O ATOM 0 H TYR A 27 56.491 1.725 1.855 1.00 0.00 H new ATOM 0 HA TYR A 27 59.133 0.665 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.585 3.269 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.004 3.253 3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.701 1.234 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.328 4.529 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.149 1.432 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.773 4.724 -1.446 1.00 0.00 H new ATOM 0 HH TYR A 27 61.438 3.799 -2.643 1.00 0.00 H new ATOM 395 N LYS A 28 57.091 1.789 4.989 1.00 0.00 N ATOM 396 CA LYS A 28 56.800 1.620 6.436 1.00 0.00 C ATOM 397 C LYS A 28 56.614 0.134 6.748 1.00 0.00 C ATOM 398 O LYS A 28 57.035 -0.350 7.777 1.00 0.00 O ATOM 399 CB LYS A 28 55.503 2.394 6.676 1.00 0.00 C ATOM 400 CG LYS A 28 55.570 3.097 8.032 1.00 0.00 C ATOM 401 CD LYS A 28 55.256 2.094 9.145 1.00 0.00 C ATOM 402 CE LYS A 28 54.277 2.723 10.138 1.00 0.00 C ATOM 403 NZ LYS A 28 54.129 1.714 11.223 1.00 0.00 N ATOM 0 H LYS A 28 56.510 2.473 4.504 1.00 0.00 H new ATOM 0 HA LYS A 28 57.605 1.986 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.352 3.126 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.651 1.714 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.561 3.525 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.859 3.922 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 28 54.827 1.186 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 28 56.173 1.804 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 28 54.660 3.667 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.319 2.938 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 53.471 2.073 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.756 0.828 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 55.056 1.535 11.659 1.00 0.00 H new ATOM 417 N ASP A 29 55.997 -0.594 5.857 1.00 0.00 N ATOM 418 CA ASP A 29 55.799 -2.053 6.097 1.00 0.00 C ATOM 419 C ASP A 29 57.157 -2.749 6.208 1.00 0.00 C ATOM 420 O ASP A 29 57.388 -3.545 7.098 1.00 0.00 O ATOM 421 CB ASP A 29 55.046 -2.566 4.871 1.00 0.00 C ATOM 422 CG ASP A 29 53.561 -2.220 4.996 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.214 -1.079 4.738 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.796 -3.103 5.346 1.00 0.00 O ATOM 0 H ASP A 29 55.622 -0.243 4.976 1.00 0.00 H new ATOM 0 HA ASP A 29 55.253 -2.247 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.458 -2.120 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.172 -3.645 4.780 1.00 0.00 H new ATOM 429 N VAL A 30 58.057 -2.456 5.308 1.00 0.00 N ATOM 430 CA VAL A 30 59.401 -3.097 5.360 1.00 0.00 C ATOM 431 C VAL A 30 60.005 -2.921 6.752 1.00 0.00 C ATOM 432 O VAL A 30 60.662 -3.801 7.272 1.00 0.00 O ATOM 433 CB VAL A 30 60.233 -2.360 4.308 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.698 -2.792 4.412 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.704 -2.698 2.913 1.00 0.00 C ATOM 0 H VAL A 30 57.919 -1.800 4.539 1.00 0.00 H new ATOM 0 HA VAL A 30 59.362 -4.168 5.163 1.00 0.00 H new ATOM 0 HB VAL A 30 60.159 -1.286 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.287 -2.265 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.078 -2.553 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.773 -3.866 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.296 -2.174 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.777 -3.773 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.662 -2.389 2.834 1.00 0.00 H new ATOM 445 N ALA A 31 59.784 -1.790 7.360 1.00 0.00 N ATOM 446 CA ALA A 31 60.341 -1.556 8.723 1.00 0.00 C ATOM 447 C ALA A 31 59.402 -2.128 9.785 1.00 0.00 C ATOM 448 O ALA A 31 59.799 -2.389 10.903 1.00 0.00 O ATOM 449 CB ALA A 31 60.433 -0.038 8.860 1.00 0.00 C ATOM 0 H ALA A 31 59.242 -1.017 6.973 1.00 0.00 H new ATOM 0 HA ALA A 31 61.309 -2.039 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.836 0.215 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 31 61.089 0.358 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.440 0.398 8.752 1.00 0.00 H new ATOM 455 N ALA A 32 58.157 -2.319 9.447 1.00 0.00 N ATOM 456 CA ALA A 32 57.192 -2.869 10.438 1.00 0.00 C ATOM 457 C ALA A 32 57.452 -4.360 10.650 1.00 0.00 C ATOM 458 O ALA A 32 57.152 -4.911 11.691 1.00 0.00 O ATOM 459 CB ALA A 32 55.814 -2.644 9.815 1.00 0.00 C ATOM 0 H ALA A 32 57.766 -2.118 8.527 1.00 0.00 H new ATOM 0 HA ALA A 32 57.278 -2.390 11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.044 -3.024 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.658 -1.578 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.755 -3.170 8.862 1.00 0.00 H new ATOM 465 N LYS A 33 58.009 -5.019 9.672 1.00 0.00 N ATOM 466 CA LYS A 33 58.291 -6.473 9.816 1.00 0.00 C ATOM 467 C LYS A 33 59.661 -6.681 10.465 1.00 0.00 C ATOM 468 O LYS A 33 59.808 -7.447 11.396 1.00 0.00 O ATOM 469 CB LYS A 33 58.278 -7.028 8.391 1.00 0.00 C ATOM 470 CG LYS A 33 58.939 -8.407 8.374 1.00 0.00 C ATOM 471 CD LYS A 33 58.212 -9.335 9.350 1.00 0.00 C ATOM 472 CE LYS A 33 56.950 -9.889 8.683 1.00 0.00 C ATOM 473 NZ LYS A 33 56.417 -10.903 9.637 1.00 0.00 N ATOM 0 H LYS A 33 58.281 -4.611 8.778 1.00 0.00 H new ATOM 0 HA LYS A 33 57.560 -6.975 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.253 -7.100 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.808 -6.351 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.908 -8.824 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.990 -8.322 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.868 -10.153 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.948 -8.792 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.222 -9.099 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.180 -10.339 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.551 -11.326 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.128 -11.647 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 56.200 -10.445 10.545 1.00 0.00 H new ATOM 487 N TYR A 34 60.668 -6.001 9.983 1.00 0.00 N ATOM 488 CA TYR A 34 62.026 -6.164 10.580 1.00 0.00 C ATOM 489 C TYR A 34 62.114 -5.394 11.900 1.00 0.00 C ATOM 490 O TYR A 34 63.035 -5.572 12.673 1.00 0.00 O ATOM 491 CB TYR A 34 62.992 -5.575 9.549 1.00 0.00 C ATOM 492 CG TYR A 34 63.101 -6.510 8.366 1.00 0.00 C ATOM 493 CD1 TYR A 34 63.196 -7.892 8.569 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.106 -5.992 7.065 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.298 -8.755 7.472 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.207 -6.856 5.968 1.00 0.00 C ATOM 497 CZ TYR A 34 63.303 -8.237 6.172 1.00 0.00 C ATOM 498 OH TYR A 34 63.404 -9.088 5.090 1.00 0.00 O ATOM 0 H TYR A 34 60.610 -5.343 9.206 1.00 0.00 H new ATOM 0 HA TYR A 34 62.257 -7.206 10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.639 -4.597 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.973 -5.425 9.999 1.00 0.00 H new ATOM 0 HD1 TYR A 34 63.191 -8.292 9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 34 63.032 -4.926 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 34 63.373 -9.821 7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.211 -6.457 4.965 1.00 0.00 H new ATOM 0 HH TYR A 34 63.392 -8.566 4.261 1.00 0.00 H new ATOM 508 N ALA A 35 61.164 -4.540 12.166 1.00 0.00 N ATOM 509 CA ALA A 35 61.196 -3.762 13.436 1.00 0.00 C ATOM 510 C ALA A 35 61.589 -4.671 14.602 1.00 0.00 C ATOM 511 O ALA A 35 60.831 -5.524 15.020 1.00 0.00 O ATOM 512 CB ALA A 35 59.770 -3.243 13.617 1.00 0.00 C ATOM 0 H ALA A 35 60.367 -4.348 11.559 1.00 0.00 H new ATOM 0 HA ALA A 35 61.924 -2.951 13.407 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.710 -2.657 14.534 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.501 -2.616 12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.081 -4.086 13.679 1.00 0.00 H new ATOM 518 N GLY A 36 62.768 -4.496 15.133 1.00 0.00 N ATOM 519 CA GLY A 36 63.204 -5.352 16.270 1.00 0.00 C ATOM 520 C GLY A 36 64.531 -6.029 15.925 1.00 0.00 C ATOM 521 O GLY A 36 64.787 -7.149 16.319 1.00 0.00 O ATOM 0 H GLY A 36 63.447 -3.798 14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.316 -4.748 17.171 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.445 -6.105 16.483 1.00 0.00 H new ATOM 525 N GLN A 37 65.380 -5.361 15.192 1.00 0.00 N ATOM 526 CA GLN A 37 66.689 -5.975 14.827 1.00 0.00 C ATOM 527 C GLN A 37 67.841 -5.050 15.231 1.00 0.00 C ATOM 528 O GLN A 37 67.732 -3.841 15.164 1.00 0.00 O ATOM 529 CB GLN A 37 66.640 -6.146 13.310 1.00 0.00 C ATOM 530 CG GLN A 37 66.012 -7.500 12.970 1.00 0.00 C ATOM 531 CD GLN A 37 66.910 -8.241 11.977 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.072 -8.473 12.248 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.418 -8.623 10.832 1.00 0.00 N ATOM 0 H GLN A 37 65.225 -4.420 14.831 1.00 0.00 H new ATOM 0 HA GLN A 37 66.855 -6.924 15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.059 -5.340 12.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.645 -6.084 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.886 -8.093 13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.020 -7.356 12.543 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.443 -8.428 10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.008 -9.117 10.163 1.00 0.00 H new ATOM 542 N ALA A 38 68.940 -5.609 15.656 1.00 0.00 N ATOM 543 CA ALA A 38 70.098 -4.768 16.073 1.00 0.00 C ATOM 544 C ALA A 38 71.031 -4.497 14.887 1.00 0.00 C ATOM 545 O ALA A 38 72.233 -4.639 14.991 1.00 0.00 O ATOM 546 CB ALA A 38 70.817 -5.592 17.140 1.00 0.00 C ATOM 0 H ALA A 38 69.087 -6.615 15.733 1.00 0.00 H new ATOM 0 HA ALA A 38 69.780 -3.794 16.446 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.686 -5.041 17.501 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.138 -5.783 17.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.141 -6.540 16.711 1.00 0.00 H new ATOM 552 N GLY A 39 70.495 -4.103 13.763 1.00 0.00 N ATOM 553 CA GLY A 39 71.368 -3.823 12.586 1.00 0.00 C ATOM 554 C GLY A 39 70.675 -4.278 11.300 1.00 0.00 C ATOM 555 O GLY A 39 71.296 -4.827 10.412 1.00 0.00 O ATOM 0 H GLY A 39 69.496 -3.963 13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.589 -2.757 12.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.321 -4.341 12.698 1.00 0.00 H new ATOM 559 N ALA A 40 69.397 -4.049 11.190 1.00 0.00 N ATOM 560 CA ALA A 40 68.669 -4.464 9.958 1.00 0.00 C ATOM 561 C ALA A 40 68.889 -3.431 8.851 1.00 0.00 C ATOM 562 O ALA A 40 68.920 -3.757 7.681 1.00 0.00 O ATOM 563 CB ALA A 40 67.198 -4.517 10.367 1.00 0.00 C ATOM 0 H ALA A 40 68.824 -3.592 11.900 1.00 0.00 H new ATOM 0 HA ALA A 40 69.014 -5.423 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.593 -4.816 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.070 -5.240 11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.880 -3.532 10.710 1.00 0.00 H new ATOM 569 N GLU A 41 69.053 -2.189 9.213 1.00 0.00 N ATOM 570 CA GLU A 41 69.283 -1.139 8.182 1.00 0.00 C ATOM 571 C GLU A 41 70.650 -1.355 7.531 1.00 0.00 C ATOM 572 O GLU A 41 70.899 -0.928 6.421 1.00 0.00 O ATOM 573 CB GLU A 41 69.252 0.183 8.949 1.00 0.00 C ATOM 574 CG GLU A 41 69.771 1.310 8.052 1.00 0.00 C ATOM 575 CD GLU A 41 70.913 2.040 8.762 1.00 0.00 C ATOM 576 OE1 GLU A 41 71.073 1.831 9.953 1.00 0.00 O ATOM 577 OE2 GLU A 41 71.608 2.797 8.103 1.00 0.00 O ATOM 0 H GLU A 41 69.038 -1.856 10.177 1.00 0.00 H new ATOM 0 HA GLU A 41 68.538 -1.158 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 41 68.235 0.403 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 41 69.865 0.108 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.119 0.903 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 41 68.965 2.008 7.823 1.00 0.00 H new ATOM 584 N ALA A 42 71.536 -2.027 8.215 1.00 0.00 N ATOM 585 CA ALA A 42 72.885 -2.283 7.639 1.00 0.00 C ATOM 586 C ALA A 42 72.766 -3.270 6.477 1.00 0.00 C ATOM 587 O ALA A 42 73.217 -3.010 5.379 1.00 0.00 O ATOM 588 CB ALA A 42 73.696 -2.892 8.784 1.00 0.00 C ATOM 0 H ALA A 42 71.383 -2.409 9.148 1.00 0.00 H new ATOM 0 HA ALA A 42 73.355 -1.380 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.707 -3.110 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.741 -2.187 9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.220 -3.814 9.117 1.00 0.00 H new ATOM 594 N TYR A 43 72.149 -4.397 6.707 1.00 0.00 N ATOM 595 CA TYR A 43 71.991 -5.389 5.609 1.00 0.00 C ATOM 596 C TYR A 43 71.026 -4.834 4.569 1.00 0.00 C ATOM 597 O TYR A 43 71.086 -5.179 3.408 1.00 0.00 O ATOM 598 CB TYR A 43 71.431 -6.644 6.284 1.00 0.00 C ATOM 599 CG TYR A 43 70.764 -7.534 5.264 1.00 0.00 C ATOM 600 CD1 TYR A 43 69.403 -7.374 4.980 1.00 0.00 C ATOM 601 CD2 TYR A 43 71.503 -8.529 4.612 1.00 0.00 C ATOM 602 CE1 TYR A 43 68.781 -8.207 4.043 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.881 -9.364 3.677 1.00 0.00 C ATOM 604 CZ TYR A 43 69.519 -9.203 3.392 1.00 0.00 C ATOM 605 OH TYR A 43 68.907 -10.025 2.468 1.00 0.00 O ATOM 0 H TYR A 43 71.749 -4.672 7.604 1.00 0.00 H new ATOM 0 HA TYR A 43 72.924 -5.610 5.091 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.235 -7.187 6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.714 -6.361 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 43 68.833 -6.608 5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.553 -8.652 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 43 67.731 -8.082 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 43 71.451 -10.132 3.175 1.00 0.00 H new ATOM 0 HH TYR A 43 67.962 -9.780 2.388 1.00 0.00 H new ATOM 615 N LEU A 44 70.162 -3.947 4.968 1.00 0.00 N ATOM 616 CA LEU A 44 69.230 -3.343 3.983 1.00 0.00 C ATOM 617 C LEU A 44 70.042 -2.443 3.061 1.00 0.00 C ATOM 618 O LEU A 44 69.755 -2.310 1.892 1.00 0.00 O ATOM 619 CB LEU A 44 68.235 -2.534 4.818 1.00 0.00 C ATOM 620 CG LEU A 44 67.074 -3.439 5.238 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.378 -2.845 6.464 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.072 -3.546 4.087 1.00 0.00 C ATOM 0 H LEU A 44 70.061 -3.616 5.928 1.00 0.00 H new ATOM 0 HA LEU A 44 68.707 -4.073 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.730 -2.125 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 44 67.862 -1.688 4.241 1.00 0.00 H new ATOM 0 HG LEU A 44 67.457 -4.430 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.552 -3.491 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.091 -2.766 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.995 -1.854 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.244 -4.190 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.691 -2.554 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.566 -3.970 3.213 1.00 0.00 H new ATOM 634 N ALA A 45 71.076 -1.844 3.580 1.00 0.00 N ATOM 635 CA ALA A 45 71.928 -0.968 2.735 1.00 0.00 C ATOM 636 C ALA A 45 72.753 -1.819 1.767 1.00 0.00 C ATOM 637 O ALA A 45 73.012 -1.422 0.647 1.00 0.00 O ATOM 638 CB ALA A 45 72.841 -0.232 3.716 1.00 0.00 C ATOM 0 H ALA A 45 71.367 -1.924 4.554 1.00 0.00 H new ATOM 0 HA ALA A 45 71.341 -0.275 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.503 0.437 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.235 0.349 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.437 -0.956 4.271 1.00 0.00 H new ATOM 644 N GLN A 46 73.169 -2.987 2.181 1.00 0.00 N ATOM 645 CA GLN A 46 73.975 -3.845 1.265 1.00 0.00 C ATOM 646 C GLN A 46 73.079 -4.458 0.187 1.00 0.00 C ATOM 647 O GLN A 46 73.470 -4.590 -0.955 1.00 0.00 O ATOM 648 CB GLN A 46 74.572 -4.934 2.157 1.00 0.00 C ATOM 649 CG GLN A 46 76.069 -5.069 1.866 1.00 0.00 C ATOM 650 CD GLN A 46 76.551 -6.454 2.302 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.313 -6.871 3.418 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.224 -7.190 1.461 1.00 0.00 N ATOM 0 H GLN A 46 72.988 -3.381 3.104 1.00 0.00 H new ATOM 0 HA GLN A 46 74.749 -3.279 0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.416 -4.685 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.068 -5.884 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.258 -4.925 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.625 -4.295 2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.424 -6.840 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.550 -8.115 1.741 1.00 0.00 H new ATOM 661 N ARG A 47 71.879 -4.825 0.537 1.00 0.00 N ATOM 662 CA ARG A 47 70.961 -5.421 -0.473 1.00 0.00 C ATOM 663 C ARG A 47 70.370 -4.315 -1.342 1.00 0.00 C ATOM 664 O ARG A 47 69.875 -4.562 -2.421 1.00 0.00 O ATOM 665 CB ARG A 47 69.864 -6.111 0.337 1.00 0.00 C ATOM 666 CG ARG A 47 70.437 -7.353 1.024 1.00 0.00 C ATOM 667 CD ARG A 47 70.015 -8.606 0.252 1.00 0.00 C ATOM 668 NE ARG A 47 70.958 -9.671 0.699 1.00 0.00 N ATOM 669 CZ ARG A 47 72.203 -9.650 0.306 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.628 -8.699 -0.479 1.00 0.00 N ATOM 671 NH2 ARG A 47 73.025 -10.584 0.699 1.00 0.00 N ATOM 0 H ARG A 47 71.494 -4.738 1.478 1.00 0.00 H new ATOM 0 HA ARG A 47 71.469 -6.121 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.461 -5.424 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.038 -6.393 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.524 -7.289 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 47 70.080 -7.410 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.982 -8.876 0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 70.081 -8.447 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 47 70.630 -10.417 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.987 -7.968 -0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 47 73.601 -8.686 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.695 -11.329 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.998 -10.569 0.393 1.00 0.00 H new ATOM 685 N ILE A 48 70.427 -3.098 -0.880 1.00 0.00 N ATOM 686 CA ILE A 48 69.876 -1.971 -1.680 1.00 0.00 C ATOM 687 C ILE A 48 70.884 -1.555 -2.756 1.00 0.00 C ATOM 688 O ILE A 48 70.515 -1.188 -3.854 1.00 0.00 O ATOM 689 CB ILE A 48 69.659 -0.839 -0.674 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.375 -1.099 0.119 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.531 0.492 -1.418 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.361 -0.215 1.368 1.00 0.00 C ATOM 0 H ILE A 48 70.832 -2.835 0.018 1.00 0.00 H new ATOM 0 HA ILE A 48 68.952 -2.236 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 48 70.509 -0.796 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.503 -0.887 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.316 -2.150 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.376 1.297 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.443 0.681 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.682 0.447 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.448 -0.399 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.226 -0.449 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.400 0.833 1.072 1.00 0.00 H new ATOM 704 N LYS A 49 72.155 -1.607 -2.453 1.00 0.00 N ATOM 705 CA LYS A 49 73.171 -1.209 -3.469 1.00 0.00 C ATOM 706 C LYS A 49 73.376 -2.334 -4.490 1.00 0.00 C ATOM 707 O LYS A 49 73.673 -2.090 -5.643 1.00 0.00 O ATOM 708 CB LYS A 49 74.455 -0.967 -2.674 1.00 0.00 C ATOM 709 CG LYS A 49 75.589 -0.619 -3.638 1.00 0.00 C ATOM 710 CD LYS A 49 76.751 -0.001 -2.858 1.00 0.00 C ATOM 711 CE LYS A 49 77.644 -1.114 -2.303 1.00 0.00 C ATOM 712 NZ LYS A 49 78.264 -0.537 -1.079 1.00 0.00 N ATOM 0 H LYS A 49 72.530 -1.906 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 49 72.865 -0.326 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.307 -0.156 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.712 -1.856 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.924 -1.515 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.234 0.079 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.331 0.655 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.369 0.614 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.063 -2.006 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.403 -1.410 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.137 -1.056 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.490 0.465 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 77.599 -0.616 -0.283 1.00 0.00 H new ATOM 726 N ASN A 50 73.218 -3.562 -4.078 1.00 0.00 N ATOM 727 CA ASN A 50 73.403 -4.696 -5.030 1.00 0.00 C ATOM 728 C ASN A 50 72.053 -5.345 -5.346 1.00 0.00 C ATOM 729 O ASN A 50 71.960 -6.239 -6.165 1.00 0.00 O ATOM 730 CB ASN A 50 74.314 -5.683 -4.298 1.00 0.00 C ATOM 731 CG ASN A 50 75.720 -5.630 -4.901 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.923 -6.020 -6.033 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.706 -5.161 -4.186 1.00 0.00 N ATOM 0 H ASN A 50 72.969 -3.830 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 50 73.831 -4.374 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.353 -5.438 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.911 -6.693 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.647 -5.122 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 50 76.536 -4.833 -3.235 1.00 0.00 H new ATOM 740 N GLY A 51 71.006 -4.902 -4.704 1.00 0.00 N ATOM 741 CA GLY A 51 69.660 -5.493 -4.965 1.00 0.00 C ATOM 742 C GLY A 51 69.711 -6.997 -4.688 1.00 0.00 C ATOM 743 O GLY A 51 70.775 -7.568 -4.560 1.00 0.00 O ATOM 0 H GLY A 51 71.024 -4.156 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.912 -5.019 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.363 -5.311 -5.998 1.00 0.00 H new ATOM 747 N SER A 52 68.582 -7.659 -4.593 1.00 0.00 N ATOM 748 CA SER A 52 68.640 -9.135 -4.320 1.00 0.00 C ATOM 749 C SER A 52 67.247 -9.745 -4.103 1.00 0.00 C ATOM 750 O SER A 52 66.279 -9.048 -3.868 1.00 0.00 O ATOM 751 CB SER A 52 69.475 -9.258 -3.044 1.00 0.00 C ATOM 752 OG SER A 52 70.656 -9.997 -3.324 1.00 0.00 O ATOM 0 H SER A 52 67.649 -7.259 -4.689 1.00 0.00 H new ATOM 0 HA SER A 52 69.066 -9.674 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.733 -8.268 -2.668 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.898 -9.755 -2.265 1.00 0.00 H new ATOM 0 HG SER A 52 71.245 -9.466 -3.900 1.00 0.00 H new ATOM 758 N GLN A 53 67.153 -11.054 -4.173 1.00 0.00 N ATOM 759 CA GLN A 53 65.835 -11.736 -3.971 1.00 0.00 C ATOM 760 C GLN A 53 65.828 -12.468 -2.620 1.00 0.00 C ATOM 761 O GLN A 53 66.728 -12.315 -1.818 1.00 0.00 O ATOM 762 CB GLN A 53 65.700 -12.712 -5.167 1.00 0.00 C ATOM 763 CG GLN A 53 65.950 -14.172 -4.756 1.00 0.00 C ATOM 764 CD GLN A 53 67.324 -14.298 -4.094 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.430 -14.739 -2.967 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.389 -13.924 -4.751 1.00 0.00 N ATOM 0 H GLN A 53 67.936 -11.680 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 53 64.995 -11.042 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.702 -12.623 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.408 -12.429 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.173 -14.503 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.897 -14.820 -5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.301 -13.554 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.309 -14.002 -4.318 1.00 0.00 H new ATOM 775 N GLY A 54 64.822 -13.258 -2.361 1.00 0.00 N ATOM 776 CA GLY A 54 64.771 -13.990 -1.063 1.00 0.00 C ATOM 777 C GLY A 54 64.506 -12.988 0.056 1.00 0.00 C ATOM 778 O GLY A 54 64.777 -13.242 1.213 1.00 0.00 O ATOM 0 H GLY A 54 64.036 -13.428 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.986 -14.746 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.711 -14.512 -0.887 1.00 0.00 H new ATOM 782 N VAL A 55 63.977 -11.849 -0.286 1.00 0.00 N ATOM 783 CA VAL A 55 63.689 -10.817 0.743 1.00 0.00 C ATOM 784 C VAL A 55 62.191 -10.808 1.055 1.00 0.00 C ATOM 785 O VAL A 55 61.762 -11.225 2.112 1.00 0.00 O ATOM 786 CB VAL A 55 64.123 -9.504 0.093 1.00 0.00 C ATOM 787 CG1 VAL A 55 63.750 -8.336 0.999 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.639 -9.519 -0.124 1.00 0.00 C ATOM 0 H VAL A 55 63.730 -11.588 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 55 64.206 -10.993 1.686 1.00 0.00 H new ATOM 0 HB VAL A 55 63.619 -9.391 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.061 -7.401 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.671 -8.324 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.252 -8.447 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.949 -8.583 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.143 -9.633 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.905 -10.352 -0.775 1.00 0.00 H new ATOM 798 N TRP A 56 61.394 -10.344 0.135 1.00 0.00 N ATOM 799 CA TRP A 56 59.927 -10.315 0.360 1.00 0.00 C ATOM 800 C TRP A 56 59.250 -11.336 -0.555 1.00 0.00 C ATOM 801 O TRP A 56 58.340 -12.038 -0.161 1.00 0.00 O ATOM 802 CB TRP A 56 59.511 -8.897 -0.015 1.00 0.00 C ATOM 803 CG TRP A 56 60.121 -7.931 0.948 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.212 -7.175 0.696 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.705 -7.609 2.307 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.494 -6.410 1.813 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.592 -6.639 2.832 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.653 -8.058 3.128 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.443 -6.135 4.124 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.501 -7.550 4.429 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.395 -6.590 4.925 1.00 0.00 C ATOM 0 H TRP A 56 61.700 -9.982 -0.768 1.00 0.00 H new ATOM 0 HA TRP A 56 59.647 -10.565 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.834 -8.668 -1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.425 -8.808 0.002 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.772 -7.169 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.274 -5.756 1.876 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.959 -8.797 2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.135 -5.397 4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.691 -7.901 5.051 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.272 -6.203 5.926 1.00 0.00 H new ATOM 822 N GLY A 57 59.697 -11.423 -1.778 1.00 0.00 N ATOM 823 CA GLY A 57 59.091 -12.396 -2.731 1.00 0.00 C ATOM 824 C GLY A 57 60.086 -12.695 -3.858 1.00 0.00 C ATOM 825 O GLY A 57 61.247 -12.351 -3.763 1.00 0.00 O ATOM 0 H GLY A 57 60.458 -10.861 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.828 -13.316 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.168 -11.990 -3.145 1.00 0.00 H new ATOM 829 N PRO A 58 59.596 -13.330 -4.898 1.00 0.00 N ATOM 830 CA PRO A 58 60.448 -13.682 -6.063 1.00 0.00 C ATOM 831 C PRO A 58 60.848 -12.439 -6.878 1.00 0.00 C ATOM 832 O PRO A 58 61.359 -12.557 -7.974 1.00 0.00 O ATOM 833 CB PRO A 58 59.522 -14.576 -6.893 1.00 0.00 C ATOM 834 CG PRO A 58 58.164 -14.685 -6.172 1.00 0.00 C ATOM 835 CD PRO A 58 58.176 -13.746 -4.960 1.00 0.00 C ATOM 0 HA PRO A 58 61.386 -14.153 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.388 -14.158 -7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.964 -15.565 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.353 -14.417 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.987 -15.712 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.509 -12.895 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.861 -14.254 -4.049 1.00 0.00 H new ATOM 843 N ILE A 59 60.620 -11.254 -6.373 1.00 0.00 N ATOM 844 CA ILE A 59 60.995 -10.036 -7.146 1.00 0.00 C ATOM 845 C ILE A 59 62.217 -9.354 -6.519 1.00 0.00 C ATOM 846 O ILE A 59 62.081 -8.351 -5.846 1.00 0.00 O ATOM 847 CB ILE A 59 59.781 -9.111 -7.059 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.504 -9.911 -7.313 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.905 -8.007 -8.111 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.305 -8.961 -7.330 1.00 0.00 C ATOM 0 H ILE A 59 60.193 -11.079 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 59 61.255 -10.279 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 59 59.738 -8.667 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.576 -10.440 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.374 -10.665 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.040 -7.347 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.813 -7.432 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.950 -8.454 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.393 -9.530 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.231 -8.452 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.436 -8.224 -8.122 1.00 0.00 H new ATOM 862 N PRO A 60 63.378 -9.910 -6.763 1.00 0.00 N ATOM 863 CA PRO A 60 64.629 -9.333 -6.220 1.00 0.00 C ATOM 864 C PRO A 60 64.787 -7.879 -6.650 1.00 0.00 C ATOM 865 O PRO A 60 64.526 -7.524 -7.782 1.00 0.00 O ATOM 866 CB PRO A 60 65.709 -10.193 -6.876 1.00 0.00 C ATOM 867 CG PRO A 60 65.029 -11.252 -7.765 1.00 0.00 C ATOM 868 CD PRO A 60 63.509 -11.134 -7.589 1.00 0.00 C ATOM 0 HA PRO A 60 64.664 -9.335 -5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.376 -9.571 -7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.321 -10.676 -6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.302 -11.101 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.366 -12.251 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.996 -11.035 -8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.089 -12.007 -7.090 1.00 0.00 H new ATOM 876 N MET A 61 65.230 -7.038 -5.765 1.00 0.00 N ATOM 877 CA MET A 61 65.421 -5.617 -6.142 1.00 0.00 C ATOM 878 C MET A 61 66.619 -5.495 -7.080 1.00 0.00 C ATOM 879 O MET A 61 67.662 -6.049 -6.800 1.00 0.00 O ATOM 880 CB MET A 61 65.725 -4.901 -4.836 1.00 0.00 C ATOM 881 CG MET A 61 66.174 -3.468 -5.135 1.00 0.00 C ATOM 882 SD MET A 61 66.301 -2.533 -3.590 1.00 0.00 S ATOM 883 CE MET A 61 66.988 -3.864 -2.578 1.00 0.00 C ATOM 0 H MET A 61 65.467 -7.272 -4.801 1.00 0.00 H new ATOM 0 HA MET A 61 64.550 -5.202 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.840 -4.891 -4.199 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.505 -5.432 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.137 -3.478 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.462 -2.986 -5.805 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.474 -3.439 -1.699 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.187 -4.532 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.719 -4.424 -3.161 1.00 0.00 H new ATOM 893 N PRO A 62 66.449 -4.767 -8.156 1.00 0.00 N ATOM 894 CA PRO A 62 67.557 -4.570 -9.113 1.00 0.00 C ATOM 895 C PRO A 62 68.651 -3.724 -8.444 1.00 0.00 C ATOM 896 O PRO A 62 68.350 -2.737 -7.803 1.00 0.00 O ATOM 897 CB PRO A 62 66.883 -3.802 -10.255 1.00 0.00 C ATOM 898 CG PRO A 62 65.400 -3.585 -9.895 1.00 0.00 C ATOM 899 CD PRO A 62 65.158 -4.116 -8.477 1.00 0.00 C ATOM 0 HA PRO A 62 68.035 -5.489 -9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.379 -2.844 -10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.968 -4.360 -11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.148 -2.526 -9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.758 -4.103 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.923 -3.314 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.328 -4.822 -8.444 1.00 0.00 H new ATOM 907 N PRO A 63 69.885 -4.134 -8.594 1.00 0.00 N ATOM 908 CA PRO A 63 71.006 -3.393 -7.971 1.00 0.00 C ATOM 909 C PRO A 63 71.045 -1.950 -8.481 1.00 0.00 C ATOM 910 O PRO A 63 70.888 -1.690 -9.658 1.00 0.00 O ATOM 911 CB PRO A 63 72.231 -4.183 -8.432 1.00 0.00 C ATOM 912 CG PRO A 63 71.761 -5.359 -9.312 1.00 0.00 C ATOM 913 CD PRO A 63 70.228 -5.338 -9.384 1.00 0.00 C ATOM 0 HA PRO A 63 70.934 -3.316 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.907 -3.538 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.787 -4.554 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.187 -5.277 -10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.107 -6.305 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.871 -5.264 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.790 -6.241 -8.958 1.00 0.00 H new ATOM 921 N ASN A 64 71.243 -1.010 -7.598 1.00 0.00 N ATOM 922 CA ASN A 64 71.279 0.420 -8.021 1.00 0.00 C ATOM 923 C ASN A 64 72.681 1.003 -7.820 1.00 0.00 C ATOM 924 O ASN A 64 73.539 0.392 -7.213 1.00 0.00 O ATOM 925 CB ASN A 64 70.278 1.118 -7.101 1.00 0.00 C ATOM 926 CG ASN A 64 68.937 0.386 -7.158 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.752 -0.671 -6.413 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.048 0.779 -7.886 1.00 0.00 N flip ATOM 0 H ASN A 64 71.382 -1.170 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 64 71.034 0.546 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.655 1.130 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.151 2.157 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.193 1.604 -8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.157 0.284 -7.916 1.00 0.00 H new ATOM 935 N ALA A 65 72.916 2.186 -8.322 1.00 0.00 N ATOM 936 CA ALA A 65 74.259 2.812 -8.155 1.00 0.00 C ATOM 937 C ALA A 65 74.252 3.753 -6.950 1.00 0.00 C ATOM 938 O ALA A 65 74.901 4.780 -6.947 1.00 0.00 O ATOM 939 CB ALA A 65 74.497 3.597 -9.446 1.00 0.00 C ATOM 0 H ALA A 65 72.237 2.745 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 65 75.041 2.073 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.469 4.088 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.475 2.915 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.716 4.348 -9.564 1.00 0.00 H new ATOM 945 N VAL A 66 73.523 3.409 -5.926 1.00 0.00 N ATOM 946 CA VAL A 66 73.473 4.282 -4.717 1.00 0.00 C ATOM 947 C VAL A 66 74.736 4.086 -3.873 1.00 0.00 C ATOM 948 O VAL A 66 74.971 3.026 -3.329 1.00 0.00 O ATOM 949 CB VAL A 66 72.234 3.830 -3.940 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.972 4.229 -4.709 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.263 2.309 -3.765 1.00 0.00 C ATOM 0 H VAL A 66 72.959 2.561 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 66 73.422 5.339 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 66 72.230 4.308 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.091 3.906 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.948 5.312 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.978 3.753 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.380 1.990 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.270 1.830 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.159 2.023 -3.215 1.00 0.00 H new ATOM 961 N SER A 67 75.549 5.101 -3.762 1.00 0.00 N ATOM 962 CA SER A 67 76.796 4.971 -2.952 1.00 0.00 C ATOM 963 C SER A 67 76.463 4.408 -1.567 1.00 0.00 C ATOM 964 O SER A 67 75.334 4.072 -1.282 1.00 0.00 O ATOM 965 CB SER A 67 77.347 6.392 -2.840 1.00 0.00 C ATOM 966 OG SER A 67 78.746 6.336 -2.597 1.00 0.00 O ATOM 0 H SER A 67 75.405 6.013 -4.196 1.00 0.00 H new ATOM 0 HA SER A 67 77.519 4.293 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.148 6.945 -3.758 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.847 6.925 -2.032 1.00 0.00 H new ATOM 0 HG SER A 67 79.102 7.246 -2.526 1.00 0.00 H new ATOM 972 N ASP A 68 77.437 4.301 -0.706 1.00 0.00 N ATOM 973 CA ASP A 68 77.166 3.758 0.655 1.00 0.00 C ATOM 974 C ASP A 68 76.362 4.766 1.479 1.00 0.00 C ATOM 975 O ASP A 68 75.438 4.410 2.183 1.00 0.00 O ATOM 976 CB ASP A 68 78.545 3.532 1.276 1.00 0.00 C ATOM 977 CG ASP A 68 79.435 2.785 0.282 1.00 0.00 C ATOM 978 OD1 ASP A 68 79.413 1.565 0.297 1.00 0.00 O ATOM 979 OD2 ASP A 68 80.123 3.445 -0.480 1.00 0.00 O ATOM 0 H ASP A 68 78.406 4.565 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 68 76.580 2.839 0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.998 4.488 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.451 2.959 2.198 1.00 0.00 H new ATOM 984 N ASP A 69 76.704 6.022 1.397 1.00 0.00 N ATOM 985 CA ASP A 69 75.953 7.045 2.177 1.00 0.00 C ATOM 986 C ASP A 69 74.516 7.149 1.664 1.00 0.00 C ATOM 987 O ASP A 69 73.589 7.367 2.419 1.00 0.00 O ATOM 988 CB ASP A 69 76.704 8.357 1.935 1.00 0.00 C ATOM 989 CG ASP A 69 77.759 8.550 3.025 1.00 0.00 C ATOM 990 OD1 ASP A 69 77.430 8.360 4.184 1.00 0.00 O ATOM 991 OD2 ASP A 69 78.881 8.886 2.682 1.00 0.00 O ATOM 0 H ASP A 69 77.468 6.383 0.826 1.00 0.00 H new ATOM 0 HA ASP A 69 75.896 6.797 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.178 8.341 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.006 9.194 1.938 1.00 0.00 H new ATOM 996 N GLU A 70 74.324 6.994 0.381 1.00 0.00 N ATOM 997 CA GLU A 70 72.947 7.085 -0.185 1.00 0.00 C ATOM 998 C GLU A 70 72.140 5.841 0.187 1.00 0.00 C ATOM 999 O GLU A 70 70.975 5.923 0.523 1.00 0.00 O ATOM 1000 CB GLU A 70 73.144 7.169 -1.698 1.00 0.00 C ATOM 1001 CG GLU A 70 73.848 8.481 -2.051 1.00 0.00 C ATOM 1002 CD GLU A 70 73.350 8.980 -3.409 1.00 0.00 C ATOM 1003 OE1 GLU A 70 72.208 9.406 -3.479 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.119 8.930 -4.354 1.00 0.00 O ATOM 0 H GLU A 70 75.061 6.808 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 70 72.398 7.944 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 70 73.736 6.322 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.180 7.114 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.652 9.229 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.927 8.330 -2.081 1.00 0.00 H new ATOM 1011 N ALA A 71 72.750 4.692 0.135 1.00 0.00 N ATOM 1012 CA ALA A 71 72.017 3.446 0.494 1.00 0.00 C ATOM 1013 C ALA A 71 71.829 3.389 2.009 1.00 0.00 C ATOM 1014 O ALA A 71 70.947 2.724 2.511 1.00 0.00 O ATOM 1015 CB ALA A 71 72.912 2.302 0.016 1.00 0.00 C ATOM 0 H ALA A 71 73.723 4.560 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 71 71.028 3.393 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.437 1.348 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.061 2.382 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.876 2.359 0.521 1.00 0.00 H new ATOM 1021 N GLN A 72 72.643 4.101 2.743 1.00 0.00 N ATOM 1022 CA GLN A 72 72.492 4.102 4.219 1.00 0.00 C ATOM 1023 C GLN A 72 71.326 5.011 4.587 1.00 0.00 C ATOM 1024 O GLN A 72 70.491 4.677 5.405 1.00 0.00 O ATOM 1025 CB GLN A 72 73.811 4.654 4.761 1.00 0.00 C ATOM 1026 CG GLN A 72 73.611 5.112 6.204 1.00 0.00 C ATOM 1027 CD GLN A 72 74.823 4.706 7.045 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.949 4.976 6.678 1.00 0.00 O ATOM 1029 NE2 GLN A 72 74.639 4.063 8.167 1.00 0.00 N ATOM 0 H GLN A 72 73.402 4.679 2.381 1.00 0.00 H new ATOM 0 HA GLN A 72 72.286 3.114 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.586 3.888 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 72 74.150 5.488 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.478 6.193 6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 72 72.705 4.667 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 72 73.694 3.836 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.441 3.788 8.735 1.00 0.00 H new ATOM 1038 N THR A 73 71.247 6.152 3.962 1.00 0.00 N ATOM 1039 CA THR A 73 70.117 7.073 4.244 1.00 0.00 C ATOM 1040 C THR A 73 68.851 6.494 3.615 1.00 0.00 C ATOM 1041 O THR A 73 67.748 6.762 4.045 1.00 0.00 O ATOM 1042 CB THR A 73 70.501 8.400 3.588 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.823 8.750 3.976 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.530 9.493 4.035 1.00 0.00 C ATOM 0 H THR A 73 71.917 6.485 3.269 1.00 0.00 H new ATOM 0 HA THR A 73 69.928 7.209 5.309 1.00 0.00 H new ATOM 0 HB THR A 73 70.453 8.298 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.464 8.346 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.805 10.438 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.516 9.223 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.575 9.599 5.119 1.00 0.00 H new ATOM 1052 N LEU A 74 69.014 5.680 2.602 1.00 0.00 N ATOM 1053 CA LEU A 74 67.831 5.055 1.948 1.00 0.00 C ATOM 1054 C LEU A 74 67.256 3.987 2.873 1.00 0.00 C ATOM 1055 O LEU A 74 66.066 3.925 3.099 1.00 0.00 O ATOM 1056 CB LEU A 74 68.363 4.421 0.659 1.00 0.00 C ATOM 1057 CG LEU A 74 68.482 5.496 -0.422 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.325 4.964 -1.584 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.086 5.861 -0.932 1.00 0.00 C ATOM 0 H LEU A 74 69.916 5.423 2.202 1.00 0.00 H new ATOM 0 HA LEU A 74 67.039 5.774 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.335 3.962 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.693 3.628 0.327 1.00 0.00 H new ATOM 0 HG LEU A 74 68.961 6.381 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.409 5.731 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.319 4.703 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.848 4.079 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.169 6.627 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.609 4.975 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.485 6.241 -0.106 1.00 0.00 H new ATOM 1071 N ALA A 75 68.098 3.155 3.427 1.00 0.00 N ATOM 1072 CA ALA A 75 67.599 2.102 4.353 1.00 0.00 C ATOM 1073 C ALA A 75 66.987 2.766 5.585 1.00 0.00 C ATOM 1074 O ALA A 75 65.933 2.383 6.052 1.00 0.00 O ATOM 1075 CB ALA A 75 68.833 1.283 4.734 1.00 0.00 C ATOM 0 H ALA A 75 69.107 3.161 3.277 1.00 0.00 H new ATOM 0 HA ALA A 75 66.830 1.473 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.543 0.485 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.274 0.850 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.563 1.930 5.220 1.00 0.00 H new ATOM 1081 N LYS A 76 67.633 3.772 6.105 1.00 0.00 N ATOM 1082 CA LYS A 76 67.077 4.474 7.294 1.00 0.00 C ATOM 1083 C LYS A 76 65.826 5.247 6.877 1.00 0.00 C ATOM 1084 O LYS A 76 64.934 5.490 7.665 1.00 0.00 O ATOM 1085 CB LYS A 76 68.179 5.430 7.748 1.00 0.00 C ATOM 1086 CG LYS A 76 68.957 4.796 8.902 1.00 0.00 C ATOM 1087 CD LYS A 76 68.551 5.462 10.217 1.00 0.00 C ATOM 1088 CE LYS A 76 68.091 4.391 11.208 1.00 0.00 C ATOM 1089 NZ LYS A 76 68.931 4.602 12.420 1.00 0.00 N ATOM 0 H LYS A 76 68.520 4.138 5.759 1.00 0.00 H new ATOM 0 HA LYS A 76 66.791 3.792 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.851 5.648 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.745 6.378 8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.755 3.726 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 76 70.029 4.911 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.392 6.019 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 76 67.749 6.179 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 67.031 4.496 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 76 68.231 3.390 10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 68.674 3.904 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 69.934 4.489 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 68.772 5.561 12.790 1.00 0.00 H new ATOM 1103 N TRP A 77 65.754 5.622 5.628 1.00 0.00 N ATOM 1104 CA TRP A 77 64.563 6.364 5.136 1.00 0.00 C ATOM 1105 C TRP A 77 63.354 5.429 5.126 1.00 0.00 C ATOM 1106 O TRP A 77 62.272 5.792 5.542 1.00 0.00 O ATOM 1107 CB TRP A 77 64.933 6.800 3.720 1.00 0.00 C ATOM 1108 CG TRP A 77 63.733 7.373 3.040 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.036 8.453 3.461 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.079 6.912 1.826 1.00 0.00 C ATOM 1111 NE1 TRP A 77 61.997 8.685 2.577 1.00 0.00 N ATOM 1112 CE2 TRP A 77 61.983 7.761 1.553 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.332 5.850 0.944 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.164 7.563 0.443 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.509 5.644 -0.176 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.427 6.501 -0.426 1.00 0.00 C ATOM 0 H TRP A 77 66.473 5.444 4.927 1.00 0.00 H new ATOM 0 HA TRP A 77 64.302 7.218 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.732 7.541 3.754 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.312 5.949 3.154 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.254 9.038 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.324 9.446 2.671 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.165 5.187 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.332 8.226 0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.710 4.822 -0.847 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.798 6.340 -1.289 1.00 0.00 H new ATOM 1127 N ILE A 78 63.535 4.215 4.674 1.00 0.00 N ATOM 1128 CA ILE A 78 62.403 3.248 4.661 1.00 0.00 C ATOM 1129 C ILE A 78 61.938 3.007 6.095 1.00 0.00 C ATOM 1130 O ILE A 78 60.757 2.987 6.385 1.00 0.00 O ATOM 1131 CB ILE A 78 62.982 1.958 4.066 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.414 2.195 2.613 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.920 0.857 4.106 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.768 1.530 2.368 1.00 0.00 C ATOM 0 H ILE A 78 64.418 3.854 4.314 1.00 0.00 H new ATOM 0 HA ILE A 78 61.549 3.606 4.087 1.00 0.00 H new ATOM 0 HB ILE A 78 63.850 1.655 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.668 1.788 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.481 3.264 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.331 -0.060 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.620 0.678 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.052 1.168 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.075 1.699 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.511 1.958 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.686 0.459 2.552 1.00 0.00 H new ATOM 1146 N LEU A 79 62.865 2.839 6.997 1.00 0.00 N ATOM 1147 CA LEU A 79 62.489 2.617 8.419 1.00 0.00 C ATOM 1148 C LEU A 79 62.044 3.940 9.037 1.00 0.00 C ATOM 1149 O LEU A 79 61.452 3.978 10.098 1.00 0.00 O ATOM 1150 CB LEU A 79 63.764 2.108 9.093 1.00 0.00 C ATOM 1151 CG LEU A 79 63.945 0.621 8.789 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.420 0.333 8.507 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.487 -0.199 9.997 1.00 0.00 C ATOM 0 H LEU A 79 63.868 2.846 6.809 1.00 0.00 H new ATOM 0 HA LEU A 79 61.667 1.911 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.626 2.670 8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.706 2.265 10.170 1.00 0.00 H new ATOM 0 HG LEU A 79 63.351 0.351 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.549 -0.727 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.748 0.921 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 79 66.016 0.600 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.614 -1.261 9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.084 0.071 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.436 0.007 10.200 1.00 0.00 H new ATOM 1165 N SER A 80 62.325 5.029 8.374 1.00 0.00 N ATOM 1166 CA SER A 80 61.922 6.356 8.912 1.00 0.00 C ATOM 1167 C SER A 80 60.468 6.654 8.542 1.00 0.00 C ATOM 1168 O SER A 80 59.757 7.313 9.274 1.00 0.00 O ATOM 1169 CB SER A 80 62.860 7.359 8.242 1.00 0.00 C ATOM 1170 OG SER A 80 62.538 8.670 8.687 1.00 0.00 O ATOM 0 H SER A 80 62.817 5.055 7.481 1.00 0.00 H new ATOM 0 HA SER A 80 61.991 6.399 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.896 7.124 8.485 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.764 7.296 7.158 1.00 0.00 H new ATOM 0 HG SER A 80 63.138 9.317 8.261 1.00 0.00 H new