USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot 180:sc= 1.12 USER MOD Set 1.2: A 139 THR OG1 : rot -92:sc= 1.21 USER MOD Set 2.1: A 92 THR OG1 : rot -17:sc= -0.0485 USER MOD Set 2.2: A 100 HIS : no HE2:sc= -0.394 K(o=-0.44,f=-1.5) USER MOD Set 3.1: A 25 ASN : amide:sc= -3.15! K(o=-3.4!,f=-0.2) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= -0.203 USER MOD Set 4.1: A 11 GLN : amide:sc= -0.094 K(o=1.1,f=-7.7!) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 148:sc= 1.15 (180deg=-0.255) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.13 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 173:sc= 0.471 USER MOD Single : A 3 SER OG : rot 87:sc= -0.953 USER MOD Single : A 4 THR OG1 : rot -170:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 18 MET CE :methyl -157:sc= -0.207 (180deg=-1.34) USER MOD Single : A 19 ASN : amide:sc=-0.00452 K(o=-0.0045,f=-1.2) USER MOD Single : A 21 MET CE :methyl -125:sc= -4.41! (180deg=-12.1!) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.215) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -1.13 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -1.49 (180deg=-2.78!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -31:sc= 0.0265 USER MOD Single : A 58 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.1!) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.734 (180deg=-0.737) USER MOD Single : A 60 ASN : amide:sc= -2.32 K(o=-2.3,f=-3!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.628 USER MOD Single : A 63 TYR OH : rot -56:sc= 0.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0011 K(o=-0.0011,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= -0.154 USER MOD Single : A 80 TYR OH : rot 8:sc= 0.392 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0468) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 142:sc= 0.0228 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.1!) USER MOD Single : A 116 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.61) USER MOD Single : A 118 MET CE :methyl -145:sc= -0.179 (180deg=-1.7) USER MOD Single : A 120 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.7!) USER MOD Single : A 126 SER OG : rot 17:sc= -0.881! USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.64) USER MOD Single : A 130 SER OG : rot 180:sc= -0.301 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.896 -19.882 17.779 1.00 0.00 N ATOM 2 CA ALA A 1 117.550 -19.365 17.409 1.00 0.00 C ATOM 3 C ALA A 1 117.481 -19.167 15.899 1.00 0.00 C ATOM 4 O ALA A 1 118.474 -19.345 15.194 1.00 0.00 O ATOM 5 CB ALA A 1 117.303 -18.034 18.122 1.00 0.00 C ATOM 0 H1 ALA A 1 118.796 -20.798 18.261 1.00 0.00 H new ATOM 0 H2 ALA A 1 119.469 -20.003 16.920 1.00 0.00 H new ATOM 0 H3 ALA A 1 119.365 -19.206 18.415 1.00 0.00 H new ATOM 0 HA ALA A 1 116.785 -20.080 17.712 1.00 0.00 H new ATOM 0 HB1 ALA A 1 116.318 -17.654 17.852 1.00 0.00 H new ATOM 0 HB2 ALA A 1 117.351 -18.185 19.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 118.064 -17.314 17.822 1.00 0.00 H new ATOM 13 N THR A 2 116.301 -18.796 15.408 1.00 0.00 N ATOM 14 CA THR A 2 116.101 -18.574 13.978 1.00 0.00 C ATOM 15 C THR A 2 115.588 -17.162 13.723 1.00 0.00 C ATOM 16 O THR A 2 115.054 -16.511 14.623 1.00 0.00 O ATOM 17 CB THR A 2 115.102 -19.595 13.429 1.00 0.00 C ATOM 18 OG1 THR A 2 113.855 -19.430 14.090 1.00 0.00 O ATOM 19 CG2 THR A 2 115.636 -21.009 13.671 1.00 0.00 C ATOM 0 H THR A 2 115.469 -18.643 15.979 1.00 0.00 H new ATOM 0 HA THR A 2 117.058 -18.695 13.470 1.00 0.00 H new ATOM 0 HB THR A 2 114.967 -19.442 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 2 113.183 -20.006 13.669 1.00 0.00 H new ATOM 0 HG21 THR A 2 114.926 -21.738 13.281 1.00 0.00 H new ATOM 0 HG22 THR A 2 116.594 -21.128 13.164 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.769 -21.169 14.741 1.00 0.00 H new ATOM 27 N SER A 3 115.752 -16.691 12.489 1.00 0.00 N ATOM 28 CA SER A 3 115.359 -15.330 12.138 1.00 0.00 C ATOM 29 C SER A 3 115.237 -15.187 10.626 1.00 0.00 C ATOM 30 O SER A 3 115.694 -16.046 9.873 1.00 0.00 O ATOM 31 CB SER A 3 116.396 -14.339 12.666 1.00 0.00 C ATOM 32 OG SER A 3 117.605 -14.495 11.935 1.00 0.00 O ATOM 0 H SER A 3 116.152 -17.229 11.720 1.00 0.00 H new ATOM 0 HA SER A 3 114.391 -15.118 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 116.026 -13.319 12.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.574 -14.511 13.728 1.00 0.00 H new ATOM 0 HG SER A 3 117.571 -13.945 11.125 1.00 0.00 H new ATOM 38 N THR A 4 114.620 -14.094 10.183 1.00 0.00 N ATOM 39 CA THR A 4 114.478 -13.825 8.755 1.00 0.00 C ATOM 40 C THR A 4 114.960 -12.415 8.437 1.00 0.00 C ATOM 41 O THR A 4 114.705 -11.477 9.194 1.00 0.00 O ATOM 42 CB THR A 4 113.013 -13.974 8.336 1.00 0.00 C ATOM 43 OG1 THR A 4 112.539 -15.254 8.733 1.00 0.00 O ATOM 44 CG2 THR A 4 112.899 -13.836 6.818 1.00 0.00 C ATOM 0 H THR A 4 114.212 -13.383 10.790 1.00 0.00 H new ATOM 0 HA THR A 4 115.084 -14.543 8.202 1.00 0.00 H new ATOM 0 HB THR A 4 112.416 -13.198 8.815 1.00 0.00 H new ATOM 0 HG1 THR A 4 111.660 -15.416 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 4 111.856 -13.942 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.265 -12.856 6.513 1.00 0.00 H new ATOM 0 HG23 THR A 4 113.494 -14.612 6.336 1.00 0.00 H new ATOM 52 N VAL A 5 115.655 -12.267 7.315 1.00 0.00 N ATOM 53 CA VAL A 5 116.165 -10.960 6.903 1.00 0.00 C ATOM 54 C VAL A 5 115.760 -10.669 5.463 1.00 0.00 C ATOM 55 O VAL A 5 115.990 -11.486 4.574 1.00 0.00 O ATOM 56 CB VAL A 5 117.690 -10.926 7.029 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.085 -11.127 8.494 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.306 -12.041 6.181 1.00 0.00 C ATOM 0 H VAL A 5 115.879 -13.030 6.676 1.00 0.00 H new ATOM 0 HA VAL A 5 115.737 -10.197 7.554 1.00 0.00 H new ATOM 0 HB VAL A 5 118.057 -9.961 6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.171 -11.103 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 5 117.653 -10.331 9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 5 117.713 -12.091 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 5 119.392 -12.012 6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 5 117.938 -13.007 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.028 -11.900 5.137 1.00 0.00 H new ATOM 68 N THR A 6 115.172 -9.495 5.236 1.00 0.00 N ATOM 69 CA THR A 6 114.676 -9.137 3.909 1.00 0.00 C ATOM 70 C THR A 6 115.218 -7.776 3.483 1.00 0.00 C ATOM 71 O THR A 6 115.334 -6.862 4.297 1.00 0.00 O ATOM 72 CB THR A 6 113.144 -9.100 3.920 1.00 0.00 C ATOM 73 OG1 THR A 6 112.648 -10.341 4.398 1.00 0.00 O ATOM 74 CG2 THR A 6 112.617 -8.851 2.505 1.00 0.00 C ATOM 0 H THR A 6 115.028 -8.780 5.949 1.00 0.00 H new ATOM 0 HA THR A 6 115.017 -9.888 3.197 1.00 0.00 H new ATOM 0 HB THR A 6 112.809 -8.294 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 6 111.668 -10.320 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.527 -8.826 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 6 112.996 -7.897 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 6 112.952 -9.652 1.846 1.00 0.00 H new ATOM 82 N GLY A 7 115.537 -7.644 2.201 1.00 0.00 N ATOM 83 CA GLY A 7 115.996 -6.367 1.665 1.00 0.00 C ATOM 84 C GLY A 7 115.276 -6.090 0.355 1.00 0.00 C ATOM 85 O GLY A 7 115.063 -7.013 -0.432 1.00 0.00 O ATOM 0 H GLY A 7 115.487 -8.399 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.799 -5.567 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.074 -6.392 1.504 1.00 0.00 H new ATOM 89 N GLY A 8 114.901 -4.835 0.124 1.00 0.00 N ATOM 90 CA GLY A 8 114.117 -4.516 -1.063 1.00 0.00 C ATOM 91 C GLY A 8 114.131 -3.029 -1.377 1.00 0.00 C ATOM 92 O GLY A 8 114.858 -2.255 -0.756 1.00 0.00 O ATOM 0 H GLY A 8 115.120 -4.041 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 8 114.510 -5.069 -1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 8 113.088 -4.845 -0.916 1.00 0.00 H new ATOM 96 N TYR A 9 113.273 -2.639 -2.315 1.00 0.00 N ATOM 97 CA TYR A 9 113.226 -1.260 -2.782 1.00 0.00 C ATOM 98 C TYR A 9 111.794 -0.745 -2.736 1.00 0.00 C ATOM 99 O TYR A 9 110.846 -1.529 -2.726 1.00 0.00 O ATOM 100 CB TYR A 9 113.783 -1.174 -4.209 1.00 0.00 C ATOM 101 CG TYR A 9 112.922 -1.851 -5.253 1.00 0.00 C ATOM 102 CD1 TYR A 9 111.919 -1.128 -5.909 1.00 0.00 C ATOM 103 CD2 TYR A 9 113.129 -3.200 -5.562 1.00 0.00 C ATOM 104 CE1 TYR A 9 111.122 -1.755 -6.874 1.00 0.00 C ATOM 105 CE2 TYR A 9 112.334 -3.828 -6.527 1.00 0.00 C ATOM 106 CZ TYR A 9 111.329 -3.106 -7.184 1.00 0.00 C ATOM 107 OH TYR A 9 110.545 -3.724 -8.135 1.00 0.00 O ATOM 0 H TYR A 9 112.601 -3.260 -2.766 1.00 0.00 H new ATOM 0 HA TYR A 9 113.840 -0.638 -2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 9 113.902 -0.124 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 9 114.776 -1.623 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 9 111.760 -0.087 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 9 113.903 -3.757 -5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 9 110.347 -1.198 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 9 112.495 -4.869 -6.765 1.00 0.00 H new ATOM 0 HH TYR A 9 110.821 -4.660 -8.229 1.00 0.00 H new ATOM 117 N ALA A 10 111.651 0.574 -2.700 1.00 0.00 N ATOM 118 CA ALA A 10 110.336 1.191 -2.591 1.00 0.00 C ATOM 119 C ALA A 10 110.209 2.376 -3.541 1.00 0.00 C ATOM 120 O ALA A 10 111.185 3.076 -3.805 1.00 0.00 O ATOM 121 CB ALA A 10 110.115 1.667 -1.152 1.00 0.00 C ATOM 0 H ALA A 10 112.427 1.235 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 10 109.583 0.450 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.131 2.129 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.175 0.816 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 10 110.882 2.396 -0.888 1.00 0.00 H new ATOM 127 N GLN A 11 108.993 2.599 -4.027 1.00 0.00 N ATOM 128 CA GLN A 11 108.703 3.771 -4.847 1.00 0.00 C ATOM 129 C GLN A 11 107.521 4.518 -4.244 1.00 0.00 C ATOM 130 O GLN A 11 106.516 3.900 -3.894 1.00 0.00 O ATOM 131 CB GLN A 11 108.367 3.346 -6.281 1.00 0.00 C ATOM 132 CG GLN A 11 109.501 2.498 -6.871 1.00 0.00 C ATOM 133 CD GLN A 11 110.821 3.266 -6.862 1.00 0.00 C ATOM 134 OE1 GLN A 11 110.872 4.419 -7.293 1.00 0.00 O ATOM 135 NE2 GLN A 11 111.896 2.693 -6.395 1.00 0.00 N ATOM 0 H GLN A 11 108.194 1.986 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 11 109.579 4.419 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.437 2.777 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.206 4.229 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 11 109.608 1.578 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 11 109.251 2.210 -7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 11 111.851 1.738 -6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 11 112.781 3.200 -6.386 1.00 0.00 H new ATOM 144 N SER A 12 107.644 5.839 -4.109 1.00 0.00 N ATOM 145 CA SER A 12 106.566 6.641 -3.533 1.00 0.00 C ATOM 146 C SER A 12 106.063 7.656 -4.550 1.00 0.00 C ATOM 147 O SER A 12 106.856 8.255 -5.281 1.00 0.00 O ATOM 148 CB SER A 12 107.063 7.374 -2.286 1.00 0.00 C ATOM 149 OG SER A 12 107.632 6.430 -1.388 1.00 0.00 O ATOM 0 H SER A 12 108.469 6.370 -4.387 1.00 0.00 H new ATOM 0 HA SER A 12 105.749 5.974 -3.258 1.00 0.00 H new ATOM 0 HB2 SER A 12 107.804 8.125 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 12 106.238 7.901 -1.806 1.00 0.00 H new ATOM 0 HG SER A 12 107.954 6.894 -0.587 1.00 0.00 H new ATOM 155 N ASP A 13 104.748 7.870 -4.548 1.00 0.00 N ATOM 156 CA ASP A 13 104.109 8.719 -5.547 1.00 0.00 C ATOM 157 C ASP A 13 104.287 10.198 -5.217 1.00 0.00 C ATOM 158 O ASP A 13 103.941 10.653 -4.127 1.00 0.00 O ATOM 159 CB ASP A 13 102.614 8.392 -5.626 1.00 0.00 C ATOM 160 CG ASP A 13 101.952 9.182 -6.754 1.00 0.00 C ATOM 161 OD1 ASP A 13 102.620 9.458 -7.738 1.00 0.00 O ATOM 162 OD2 ASP A 13 100.784 9.501 -6.615 1.00 0.00 O ATOM 0 H ASP A 13 104.106 7.467 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 13 104.585 8.522 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.478 7.324 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.133 8.629 -4.677 1.00 0.00 H new ATOM 167 N ALA A 14 104.831 10.937 -6.179 1.00 0.00 N ATOM 168 CA ALA A 14 105.046 12.371 -6.019 1.00 0.00 C ATOM 169 C ALA A 14 104.032 13.158 -6.845 1.00 0.00 C ATOM 170 O ALA A 14 103.667 12.752 -7.949 1.00 0.00 O ATOM 171 CB ALA A 14 106.462 12.739 -6.464 1.00 0.00 C ATOM 0 H ALA A 14 105.132 10.565 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 14 104.918 12.624 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.615 13.811 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.187 12.197 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.595 12.471 -7.512 1.00 0.00 H new ATOM 177 N GLN A 15 103.581 14.285 -6.304 1.00 0.00 N ATOM 178 CA GLN A 15 102.632 15.138 -7.012 1.00 0.00 C ATOM 179 C GLN A 15 103.404 16.146 -7.855 1.00 0.00 C ATOM 180 O GLN A 15 104.508 16.547 -7.487 1.00 0.00 O ATOM 181 CB GLN A 15 101.736 15.863 -6.003 1.00 0.00 C ATOM 182 CG GLN A 15 100.629 16.625 -6.736 1.00 0.00 C ATOM 183 CD GLN A 15 99.820 17.452 -5.742 1.00 0.00 C ATOM 184 OE1 GLN A 15 100.370 18.316 -5.061 1.00 0.00 O ATOM 185 NE2 GLN A 15 98.539 17.235 -5.620 1.00 0.00 N ATOM 0 H GLN A 15 103.855 14.628 -5.383 1.00 0.00 H new ATOM 0 HA GLN A 15 102.002 14.532 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.297 15.144 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.331 16.555 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.065 17.276 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 15 99.976 15.924 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 15 98.087 16.517 -6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 15 97.990 17.783 -4.958 1.00 0.00 H new ATOM 194 N GLY A 16 102.829 16.557 -8.988 1.00 0.00 N ATOM 195 CA GLY A 16 103.558 17.379 -9.953 1.00 0.00 C ATOM 196 C GLY A 16 104.231 18.581 -9.297 1.00 0.00 C ATOM 197 O GLY A 16 103.572 19.553 -8.929 1.00 0.00 O ATOM 0 H GLY A 16 101.870 16.336 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 16 104.313 16.769 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.870 17.726 -10.724 1.00 0.00 H new ATOM 201 N GLN A 17 105.559 18.507 -9.242 1.00 0.00 N ATOM 202 CA GLN A 17 106.407 19.508 -8.598 1.00 0.00 C ATOM 203 C GLN A 17 107.825 18.952 -8.539 1.00 0.00 C ATOM 204 O GLN A 17 108.784 19.588 -8.977 1.00 0.00 O ATOM 205 CB GLN A 17 105.941 19.809 -7.165 1.00 0.00 C ATOM 206 CG GLN A 17 106.787 20.938 -6.572 1.00 0.00 C ATOM 207 CD GLN A 17 106.389 22.271 -7.199 1.00 0.00 C ATOM 208 OE1 GLN A 17 105.258 22.725 -7.028 1.00 0.00 O ATOM 209 NE2 GLN A 17 107.258 22.929 -7.917 1.00 0.00 N ATOM 0 H GLN A 17 106.086 17.735 -9.651 1.00 0.00 H new ATOM 0 HA GLN A 17 106.356 20.433 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.889 20.093 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.028 18.914 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 17 106.648 20.979 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 17 107.845 20.744 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 17 108.195 22.551 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.000 23.822 -8.338 1.00 0.00 H new ATOM 218 N MET A 18 107.928 17.748 -7.987 1.00 0.00 N ATOM 219 CA MET A 18 109.198 17.041 -7.884 1.00 0.00 C ATOM 220 C MET A 18 109.050 15.634 -8.455 1.00 0.00 C ATOM 221 O MET A 18 107.947 15.217 -8.810 1.00 0.00 O ATOM 222 CB MET A 18 109.639 16.962 -6.422 1.00 0.00 C ATOM 223 CG MET A 18 109.899 18.375 -5.891 1.00 0.00 C ATOM 224 SD MET A 18 110.633 18.281 -4.238 1.00 0.00 S ATOM 225 CE MET A 18 109.274 17.406 -3.422 1.00 0.00 C ATOM 0 H MET A 18 107.135 17.236 -7.599 1.00 0.00 H new ATOM 0 HA MET A 18 109.954 17.584 -8.452 1.00 0.00 H new ATOM 0 HB2 MET A 18 108.869 16.473 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 18 110.542 16.357 -6.335 1.00 0.00 H new ATOM 0 HG2 MET A 18 110.567 18.910 -6.566 1.00 0.00 H new ATOM 0 HG3 MET A 18 108.966 18.937 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 18 109.313 17.593 -2.349 1.00 0.00 H new ATOM 0 HE2 MET A 18 108.323 17.761 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 18 109.367 16.336 -3.607 1.00 0.00 H new ATOM 235 N ASN A 19 110.157 14.907 -8.543 1.00 0.00 N ATOM 236 CA ASN A 19 110.130 13.563 -9.111 1.00 0.00 C ATOM 237 C ASN A 19 109.912 12.519 -8.019 1.00 0.00 C ATOM 238 O ASN A 19 110.105 12.794 -6.835 1.00 0.00 O ATOM 239 CB ASN A 19 111.445 13.276 -9.836 1.00 0.00 C ATOM 240 CG ASN A 19 111.615 14.226 -11.019 1.00 0.00 C ATOM 241 OD1 ASN A 19 110.634 14.757 -11.540 1.00 0.00 O ATOM 242 ND2 ASN A 19 112.812 14.477 -11.475 1.00 0.00 N ATOM 0 H ASN A 19 111.077 15.220 -8.232 1.00 0.00 H new ATOM 0 HA ASN A 19 109.303 13.508 -9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 19 112.281 13.390 -9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.458 12.243 -10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 19 112.935 15.113 -12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 19 113.625 14.037 -11.043 1.00 0.00 H new ATOM 249 N LYS A 20 109.506 11.318 -8.428 1.00 0.00 N ATOM 250 CA LYS A 20 109.235 10.230 -7.490 1.00 0.00 C ATOM 251 C LYS A 20 110.381 10.035 -6.496 1.00 0.00 C ATOM 252 O LYS A 20 111.489 10.526 -6.713 1.00 0.00 O ATOM 253 CB LYS A 20 108.961 8.938 -8.273 1.00 0.00 C ATOM 254 CG LYS A 20 110.222 8.471 -9.008 1.00 0.00 C ATOM 255 CD LYS A 20 109.890 7.259 -9.882 1.00 0.00 C ATOM 256 CE LYS A 20 111.185 6.620 -10.386 1.00 0.00 C ATOM 257 NZ LYS A 20 111.844 5.883 -9.272 1.00 0.00 N ATOM 0 H LYS A 20 109.357 11.073 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 20 108.353 10.492 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 20 108.622 8.158 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.157 9.105 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 20 110.616 9.279 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 20 110.999 8.211 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 20 109.313 6.533 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 20 109.271 7.565 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 20 110.970 5.939 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 20 111.854 7.388 -10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 112.352 5.059 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 112.517 6.512 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 111.124 5.562 -8.594 1.00 0.00 H new ATOM 271 N MET A 21 110.111 9.316 -5.408 1.00 0.00 N ATOM 272 CA MET A 21 111.119 9.119 -4.365 1.00 0.00 C ATOM 273 C MET A 21 111.497 7.644 -4.278 1.00 0.00 C ATOM 274 O MET A 21 110.637 6.777 -4.434 1.00 0.00 O ATOM 275 CB MET A 21 110.560 9.586 -3.018 1.00 0.00 C ATOM 276 CG MET A 21 110.202 11.073 -3.103 1.00 0.00 C ATOM 277 SD MET A 21 109.706 11.678 -1.469 1.00 0.00 S ATOM 278 CE MET A 21 111.346 11.693 -0.703 1.00 0.00 C ATOM 0 H MET A 21 109.215 8.865 -5.225 1.00 0.00 H new ATOM 0 HA MET A 21 112.007 9.701 -4.612 1.00 0.00 H new ATOM 0 HB2 MET A 21 109.677 9.003 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.295 9.422 -2.230 1.00 0.00 H new ATOM 0 HG2 MET A 21 111.057 11.642 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 21 109.392 11.221 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 21 111.326 11.101 0.212 1.00 0.00 H new ATOM 0 HE2 MET A 21 112.074 11.268 -1.394 1.00 0.00 H new ATOM 0 HE3 MET A 21 111.627 12.719 -0.465 1.00 0.00 H new ATOM 288 N GLY A 22 112.773 7.364 -4.019 1.00 0.00 N ATOM 289 CA GLY A 22 113.246 5.982 -3.946 1.00 0.00 C ATOM 290 C GLY A 22 113.644 5.636 -2.519 1.00 0.00 C ATOM 291 O GLY A 22 114.239 6.455 -1.825 1.00 0.00 O ATOM 0 H GLY A 22 113.493 8.068 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.464 5.304 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.098 5.846 -4.612 1.00 0.00 H new ATOM 295 N GLY A 23 113.318 4.424 -2.083 1.00 0.00 N ATOM 296 CA GLY A 23 113.609 4.013 -0.711 1.00 0.00 C ATOM 297 C GLY A 23 114.220 2.618 -0.655 1.00 0.00 C ATOM 298 O GLY A 23 113.862 1.745 -1.442 1.00 0.00 O ATOM 0 H GLY A 23 112.857 3.714 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.294 4.728 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.691 4.031 -0.124 1.00 0.00 H new ATOM 302 N PHE A 24 115.160 2.428 0.268 1.00 0.00 N ATOM 303 CA PHE A 24 115.746 1.112 0.506 1.00 0.00 C ATOM 304 C PHE A 24 115.303 0.606 1.875 1.00 0.00 C ATOM 305 O PHE A 24 115.271 1.381 2.832 1.00 0.00 O ATOM 306 CB PHE A 24 117.274 1.200 0.458 1.00 0.00 C ATOM 307 CG PHE A 24 117.807 1.635 -0.888 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.006 0.689 -1.901 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.101 2.984 -1.121 1.00 0.00 C ATOM 310 CE1 PHE A 24 118.502 1.092 -3.146 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.596 3.386 -2.366 1.00 0.00 C ATOM 312 CZ PHE A 24 118.796 2.441 -3.379 1.00 0.00 C ATOM 0 H PHE A 24 115.532 3.169 0.863 1.00 0.00 H new ATOM 0 HA PHE A 24 115.409 0.422 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.614 1.902 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.695 0.227 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 24 117.777 -0.351 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 24 117.946 3.714 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 24 118.658 0.363 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 24 118.824 4.426 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.177 2.752 -4.340 1.00 0.00 H new ATOM 322 N ASN A 25 114.952 -0.678 1.963 1.00 0.00 N ATOM 323 CA ASN A 25 114.405 -1.230 3.202 1.00 0.00 C ATOM 324 C ASN A 25 115.189 -2.454 3.665 1.00 0.00 C ATOM 325 O ASN A 25 115.489 -3.340 2.866 1.00 0.00 O ATOM 326 CB ASN A 25 112.945 -1.633 2.988 1.00 0.00 C ATOM 327 CG ASN A 25 112.137 -0.447 2.470 1.00 0.00 C ATOM 328 OD1 ASN A 25 111.436 -0.566 1.465 1.00 0.00 O ATOM 329 ND2 ASN A 25 112.191 0.694 3.098 1.00 0.00 N ATOM 0 H ASN A 25 115.036 -1.349 1.199 1.00 0.00 H new ATOM 0 HA ASN A 25 114.480 -0.458 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.889 -2.458 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.518 -1.990 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 25 111.652 1.490 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 25 112.772 0.791 3.931 1.00 0.00 H new ATOM 336 N LEU A 26 115.509 -2.483 4.957 1.00 0.00 N ATOM 337 CA LEU A 26 116.128 -3.652 5.577 1.00 0.00 C ATOM 338 C LEU A 26 115.206 -4.201 6.661 1.00 0.00 C ATOM 339 O LEU A 26 114.580 -3.424 7.382 1.00 0.00 O ATOM 340 CB LEU A 26 117.480 -3.274 6.192 1.00 0.00 C ATOM 341 CG LEU A 26 118.389 -2.655 5.126 1.00 0.00 C ATOM 342 CD1 LEU A 26 119.696 -2.198 5.777 1.00 0.00 C ATOM 343 CD2 LEU A 26 118.703 -3.694 4.046 1.00 0.00 C ATOM 0 H LEU A 26 115.349 -1.706 5.598 1.00 0.00 H new ATOM 0 HA LEU A 26 116.290 -4.414 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 26 117.332 -2.568 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.955 -4.158 6.617 1.00 0.00 H new ATOM 0 HG LEU A 26 117.882 -1.802 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.345 -1.757 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.480 -1.457 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.196 -3.054 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 26 119.350 -3.249 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 119.208 -4.548 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.775 -4.026 3.580 1.00 0.00 H new ATOM 355 N LYS A 27 115.129 -5.525 6.790 1.00 0.00 N ATOM 356 CA LYS A 27 114.175 -6.142 7.714 1.00 0.00 C ATOM 357 C LYS A 27 114.868 -7.129 8.649 1.00 0.00 C ATOM 358 O LYS A 27 115.795 -7.835 8.248 1.00 0.00 O ATOM 359 CB LYS A 27 113.098 -6.905 6.935 1.00 0.00 C ATOM 360 CG LYS A 27 112.436 -6.004 5.889 1.00 0.00 C ATOM 361 CD LYS A 27 111.697 -4.859 6.580 1.00 0.00 C ATOM 362 CE LYS A 27 110.886 -4.078 5.543 1.00 0.00 C ATOM 363 NZ LYS A 27 109.686 -4.869 5.151 1.00 0.00 N ATOM 0 H LYS A 27 115.709 -6.186 6.273 1.00 0.00 H new ATOM 0 HA LYS A 27 113.727 -5.338 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 27 113.543 -7.771 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.343 -7.282 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.190 -5.605 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 27 111.740 -6.585 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.037 -5.252 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.409 -4.198 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 110.582 -3.115 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 27 111.500 -3.871 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.997 -4.246 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.968 -5.626 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 109.254 -5.288 5.999 1.00 0.00 H new ATOM 377 N TYR A 28 114.413 -7.169 9.898 1.00 0.00 N ATOM 378 CA TYR A 28 114.860 -8.186 10.846 1.00 0.00 C ATOM 379 C TYR A 28 113.648 -8.797 11.544 1.00 0.00 C ATOM 380 O TYR A 28 112.768 -8.066 11.999 1.00 0.00 O ATOM 381 CB TYR A 28 115.795 -7.564 11.883 1.00 0.00 C ATOM 382 CG TYR A 28 116.391 -8.572 12.837 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.543 -9.281 12.477 1.00 0.00 C ATOM 384 CD2 TYR A 28 115.791 -8.797 14.082 1.00 0.00 C ATOM 385 CE1 TYR A 28 118.096 -10.214 13.361 1.00 0.00 C ATOM 386 CE2 TYR A 28 116.343 -9.731 14.966 1.00 0.00 C ATOM 387 CZ TYR A 28 117.497 -10.440 14.606 1.00 0.00 C ATOM 388 OH TYR A 28 118.043 -11.361 15.477 1.00 0.00 O ATOM 0 H TYR A 28 113.735 -6.509 10.278 1.00 0.00 H new ATOM 0 HA TYR A 28 115.401 -8.964 10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.601 -7.042 11.367 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.245 -6.816 12.454 1.00 0.00 H new ATOM 0 HD1 TYR A 28 118.005 -9.108 11.516 1.00 0.00 H new ATOM 0 HD2 TYR A 28 114.902 -8.250 14.360 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.985 -10.760 13.083 1.00 0.00 H new ATOM 0 HE2 TYR A 28 115.880 -9.905 15.926 1.00 0.00 H new ATOM 0 HH TYR A 28 117.506 -11.395 16.296 1.00 0.00 H new ATOM 398 N ARG A 29 113.595 -10.125 11.619 1.00 0.00 N ATOM 399 CA ARG A 29 112.440 -10.802 12.207 1.00 0.00 C ATOM 400 C ARG A 29 112.872 -11.972 13.088 1.00 0.00 C ATOM 401 O ARG A 29 113.845 -12.659 12.785 1.00 0.00 O ATOM 402 CB ARG A 29 111.514 -11.308 11.097 1.00 0.00 C ATOM 403 CG ARG A 29 110.239 -11.895 11.709 1.00 0.00 C ATOM 404 CD ARG A 29 109.335 -12.426 10.596 1.00 0.00 C ATOM 405 NE ARG A 29 108.048 -12.858 11.148 1.00 0.00 N ATOM 406 CZ ARG A 29 107.871 -14.022 11.790 1.00 0.00 C ATOM 407 NH1 ARG A 29 108.852 -14.868 11.991 1.00 0.00 N ATOM 408 NH2 ARG A 29 106.680 -14.325 12.231 1.00 0.00 N ATOM 0 H ARG A 29 114.329 -10.749 11.284 1.00 0.00 H new ATOM 0 HA ARG A 29 111.909 -10.083 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.261 -10.491 10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 29 112.025 -12.066 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.492 -12.699 12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.715 -11.132 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 109.175 -11.650 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 29 109.821 -13.261 10.091 1.00 0.00 H new ATOM 0 HE ARG A 29 107.244 -12.240 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 29 109.790 -14.651 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.677 -15.744 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 29 105.903 -13.681 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 29 106.527 -15.206 12.722 1.00 0.00 H new ATOM 422 N TYR A 30 112.144 -12.191 14.180 1.00 0.00 N ATOM 423 CA TYR A 30 112.401 -13.347 15.036 1.00 0.00 C ATOM 424 C TYR A 30 111.265 -14.348 14.860 1.00 0.00 C ATOM 425 O TYR A 30 110.108 -13.949 14.716 1.00 0.00 O ATOM 426 CB TYR A 30 112.492 -12.906 16.498 1.00 0.00 C ATOM 427 CG TYR A 30 113.031 -13.976 17.418 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.409 -14.069 17.649 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.157 -14.876 18.038 1.00 0.00 C ATOM 430 CE1 TYR A 30 114.911 -15.060 18.501 1.00 0.00 C ATOM 431 CE2 TYR A 30 112.659 -15.868 18.889 1.00 0.00 C ATOM 432 CZ TYR A 30 114.038 -15.960 19.120 1.00 0.00 C ATOM 433 OH TYR A 30 114.531 -16.938 19.959 1.00 0.00 O ATOM 0 H TYR A 30 111.380 -11.591 14.491 1.00 0.00 H new ATOM 0 HA TYR A 30 113.347 -13.811 14.757 1.00 0.00 H new ATOM 0 HB2 TYR A 30 113.131 -12.025 16.564 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.501 -12.608 16.842 1.00 0.00 H new ATOM 0 HD1 TYR A 30 115.085 -13.376 17.170 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.094 -14.805 17.860 1.00 0.00 H new ATOM 0 HE1 TYR A 30 115.974 -15.129 18.680 1.00 0.00 H new ATOM 0 HE2 TYR A 30 111.984 -16.562 19.367 1.00 0.00 H new ATOM 0 HH TYR A 30 113.789 -17.476 20.305 1.00 0.00 H new ATOM 443 N GLU A 31 111.586 -15.641 14.870 1.00 0.00 N ATOM 444 CA GLU A 31 110.574 -16.654 14.595 1.00 0.00 C ATOM 445 C GLU A 31 109.924 -17.151 15.882 1.00 0.00 C ATOM 446 O GLU A 31 110.604 -17.502 16.848 1.00 0.00 O ATOM 447 CB GLU A 31 111.192 -17.836 13.848 1.00 0.00 C ATOM 448 CG GLU A 31 110.077 -18.787 13.395 1.00 0.00 C ATOM 449 CD GLU A 31 110.633 -20.041 12.711 1.00 0.00 C ATOM 450 OE1 GLU A 31 111.844 -20.179 12.605 1.00 0.00 O ATOM 451 OE2 GLU A 31 109.827 -20.857 12.297 1.00 0.00 O ATOM 0 H GLU A 31 112.520 -16.005 15.062 1.00 0.00 H new ATOM 0 HA GLU A 31 109.806 -16.192 13.974 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.756 -17.481 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 31 111.895 -18.362 14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 31 109.478 -19.080 14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.412 -18.264 12.708 1.00 0.00 H new ATOM 458 N GLU A 32 108.596 -17.174 15.869 1.00 0.00 N ATOM 459 CA GLU A 32 107.820 -17.572 17.037 1.00 0.00 C ATOM 460 C GLU A 32 106.575 -18.346 16.613 1.00 0.00 C ATOM 461 O GLU A 32 106.065 -18.170 15.507 1.00 0.00 O ATOM 462 CB GLU A 32 107.434 -16.356 17.877 1.00 0.00 C ATOM 463 CG GLU A 32 108.711 -15.664 18.367 1.00 0.00 C ATOM 464 CD GLU A 32 108.412 -14.515 19.334 1.00 0.00 C ATOM 465 OE1 GLU A 32 107.253 -14.178 19.521 1.00 0.00 O ATOM 466 OE2 GLU A 32 109.363 -13.981 19.882 1.00 0.00 O ATOM 0 H GLU A 32 108.032 -16.920 15.058 1.00 0.00 H new ATOM 0 HA GLU A 32 108.442 -18.224 17.651 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.834 -15.665 17.285 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.823 -16.663 18.726 1.00 0.00 H new ATOM 0 HG2 GLU A 32 109.352 -16.395 18.861 1.00 0.00 H new ATOM 0 HG3 GLU A 32 109.266 -15.281 17.511 1.00 0.00 H new ATOM 473 N ASP A 33 106.098 -19.202 17.507 1.00 0.00 N ATOM 474 CA ASP A 33 105.000 -20.112 17.200 1.00 0.00 C ATOM 475 C ASP A 33 103.667 -19.370 17.153 1.00 0.00 C ATOM 476 O ASP A 33 103.619 -18.140 17.212 1.00 0.00 O ATOM 477 CB ASP A 33 104.930 -21.219 18.257 1.00 0.00 C ATOM 478 CG ASP A 33 106.202 -22.062 18.236 1.00 0.00 C ATOM 479 OD1 ASP A 33 106.792 -22.198 17.175 1.00 0.00 O ATOM 480 OD2 ASP A 33 106.571 -22.561 19.286 1.00 0.00 O ATOM 0 H ASP A 33 106.457 -19.286 18.458 1.00 0.00 H new ATOM 0 HA ASP A 33 105.188 -20.549 16.219 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.795 -20.778 19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 33 104.064 -21.853 18.070 1.00 0.00 H new ATOM 485 N ASN A 34 102.599 -20.116 16.913 1.00 0.00 N ATOM 486 CA ASN A 34 101.273 -19.527 16.782 1.00 0.00 C ATOM 487 C ASN A 34 100.919 -18.601 17.949 1.00 0.00 C ATOM 488 O ASN A 34 100.288 -17.565 17.733 1.00 0.00 O ATOM 489 CB ASN A 34 100.225 -20.636 16.689 1.00 0.00 C ATOM 490 CG ASN A 34 98.857 -20.039 16.375 1.00 0.00 C ATOM 491 OD1 ASN A 34 98.004 -19.943 17.256 1.00 0.00 O ATOM 492 ND2 ASN A 34 98.597 -19.630 15.163 1.00 0.00 N ATOM 0 H ASN A 34 102.624 -21.130 16.805 1.00 0.00 H new ATOM 0 HA ASN A 34 101.281 -18.924 15.874 1.00 0.00 H new ATOM 0 HB2 ASN A 34 100.506 -21.349 15.914 1.00 0.00 H new ATOM 0 HB3 ASN A 34 100.183 -21.187 17.628 1.00 0.00 H new ATOM 0 HD21 ASN A 34 97.685 -19.230 14.945 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.306 -19.711 14.434 1.00 0.00 H new ATOM 499 N SER A 35 101.319 -18.952 19.177 1.00 0.00 N ATOM 500 CA SER A 35 100.822 -18.219 20.345 1.00 0.00 C ATOM 501 C SER A 35 101.685 -17.009 20.723 1.00 0.00 C ATOM 502 O SER A 35 101.172 -16.066 21.329 1.00 0.00 O ATOM 503 CB SER A 35 100.746 -19.166 21.543 1.00 0.00 C ATOM 504 OG SER A 35 99.580 -19.970 21.426 1.00 0.00 O ATOM 0 H SER A 35 101.965 -19.714 19.384 1.00 0.00 H new ATOM 0 HA SER A 35 99.837 -17.837 20.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.635 -19.796 21.582 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.718 -18.596 22.472 1.00 0.00 H new ATOM 0 HG SER A 35 99.526 -20.581 22.190 1.00 0.00 H new ATOM 510 N PRO A 36 102.954 -16.989 20.404 1.00 0.00 N ATOM 511 CA PRO A 36 103.735 -15.722 20.380 1.00 0.00 C ATOM 512 C PRO A 36 103.952 -15.213 18.953 1.00 0.00 C ATOM 513 O PRO A 36 104.443 -15.937 18.089 1.00 0.00 O ATOM 514 CB PRO A 36 105.065 -16.105 21.053 1.00 0.00 C ATOM 515 CG PRO A 36 105.053 -17.595 21.216 1.00 0.00 C ATOM 516 CD PRO A 36 103.878 -18.129 20.399 1.00 0.00 C ATOM 0 HA PRO A 36 103.223 -14.906 20.889 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.912 -15.789 20.444 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.166 -15.611 22.019 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.991 -18.028 20.869 1.00 0.00 H new ATOM 0 HG3 PRO A 36 104.946 -17.866 22.266 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.177 -18.406 19.388 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.435 -19.015 20.854 1.00 0.00 H new ATOM 524 N LEU A 37 103.584 -13.954 18.723 1.00 0.00 N ATOM 525 CA LEU A 37 103.649 -13.363 17.386 1.00 0.00 C ATOM 526 C LEU A 37 105.085 -13.002 17.018 1.00 0.00 C ATOM 527 O LEU A 37 105.924 -12.809 17.896 1.00 0.00 O ATOM 528 CB LEU A 37 102.779 -12.104 17.326 1.00 0.00 C ATOM 529 CG LEU A 37 101.340 -12.435 17.735 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.512 -11.149 17.768 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.728 -13.405 16.722 1.00 0.00 C ATOM 0 H LEU A 37 103.237 -13.322 19.445 1.00 0.00 H new ATOM 0 HA LEU A 37 103.279 -14.100 16.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.186 -11.340 17.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.792 -11.692 16.317 1.00 0.00 H new ATOM 0 HG LEU A 37 101.342 -12.895 18.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.488 -11.383 18.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.945 -10.456 18.490 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.513 -10.690 16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.705 -13.639 17.015 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.727 -12.946 15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.316 -14.322 16.695 1.00 0.00 H new ATOM 543 N GLY A 38 105.357 -12.881 15.721 1.00 0.00 N ATOM 544 CA GLY A 38 106.718 -12.615 15.263 1.00 0.00 C ATOM 545 C GLY A 38 107.006 -11.122 15.318 1.00 0.00 C ATOM 546 O GLY A 38 106.145 -10.321 14.960 1.00 0.00 O ATOM 0 H GLY A 38 104.664 -12.962 14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.432 -13.154 15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.845 -12.980 14.244 1.00 0.00 H new ATOM 550 N VAL A 39 108.212 -10.744 15.735 1.00 0.00 N ATOM 551 CA VAL A 39 108.530 -9.327 15.901 1.00 0.00 C ATOM 552 C VAL A 39 109.392 -8.866 14.736 1.00 0.00 C ATOM 553 O VAL A 39 110.446 -9.442 14.475 1.00 0.00 O ATOM 554 CB VAL A 39 109.277 -9.101 17.222 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.522 -7.605 17.428 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.439 -9.635 18.389 1.00 0.00 C ATOM 0 H VAL A 39 108.973 -11.385 15.961 1.00 0.00 H new ATOM 0 HA VAL A 39 107.604 -8.752 15.922 1.00 0.00 H new ATOM 0 HB VAL A 39 110.231 -9.627 17.184 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.053 -7.449 18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.121 -7.218 16.604 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.567 -7.081 17.460 1.00 0.00 H new ATOM 0 HG21 VAL A 39 108.973 -9.472 19.325 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.484 -9.111 18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.263 -10.702 18.252 1.00 0.00 H new ATOM 566 N ILE A 40 108.949 -7.818 14.044 1.00 0.00 N ATOM 567 CA ILE A 40 109.688 -7.311 12.891 1.00 0.00 C ATOM 568 C ILE A 40 110.045 -5.847 13.093 1.00 0.00 C ATOM 569 O ILE A 40 109.281 -5.089 13.690 1.00 0.00 O ATOM 570 CB ILE A 40 108.854 -7.471 11.616 1.00 0.00 C ATOM 571 CG1 ILE A 40 107.527 -6.719 11.758 1.00 0.00 C ATOM 572 CG2 ILE A 40 108.570 -8.955 11.380 1.00 0.00 C ATOM 573 CD1 ILE A 40 106.835 -6.625 10.396 1.00 0.00 C ATOM 0 H ILE A 40 108.092 -7.309 14.259 1.00 0.00 H new ATOM 0 HA ILE A 40 110.608 -7.887 12.789 1.00 0.00 H new ATOM 0 HB ILE A 40 109.409 -7.061 10.773 1.00 0.00 H new ATOM 0 HG12 ILE A 40 106.881 -7.234 12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 40 107.706 -5.720 12.155 1.00 0.00 H new ATOM 0 HG21 ILE A 40 107.977 -9.072 10.473 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.512 -9.493 11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 40 108.019 -9.360 12.229 1.00 0.00 H new ATOM 0 HD11 ILE A 40 105.892 -6.089 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 40 107.478 -6.091 9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 106.641 -7.628 10.016 1.00 0.00 H new ATOM 585 N GLY A 41 111.220 -5.476 12.599 1.00 0.00 N ATOM 586 CA GLY A 41 111.655 -4.087 12.613 1.00 0.00 C ATOM 587 C GLY A 41 112.220 -3.726 11.248 1.00 0.00 C ATOM 588 O GLY A 41 112.955 -4.512 10.652 1.00 0.00 O ATOM 0 H GLY A 41 111.890 -6.122 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.817 -3.434 12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.411 -3.938 13.384 1.00 0.00 H new ATOM 592 N SER A 42 111.855 -2.553 10.742 1.00 0.00 N ATOM 593 CA SER A 42 112.278 -2.140 9.408 1.00 0.00 C ATOM 594 C SER A 42 112.919 -0.760 9.447 1.00 0.00 C ATOM 595 O SER A 42 112.457 0.127 10.165 1.00 0.00 O ATOM 596 CB SER A 42 111.071 -2.103 8.471 1.00 0.00 C ATOM 597 OG SER A 42 110.378 -3.343 8.553 1.00 0.00 O ATOM 0 H SER A 42 111.271 -1.875 11.231 1.00 0.00 H new ATOM 0 HA SER A 42 113.011 -2.861 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.407 -1.283 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.396 -1.921 7.447 1.00 0.00 H new ATOM 0 HG SER A 42 109.602 -3.324 7.955 1.00 0.00 H new ATOM 603 N PHE A 43 113.977 -0.588 8.661 1.00 0.00 N ATOM 604 CA PHE A 43 114.629 0.710 8.526 1.00 0.00 C ATOM 605 C PHE A 43 114.526 1.177 7.079 1.00 0.00 C ATOM 606 O PHE A 43 114.818 0.410 6.162 1.00 0.00 O ATOM 607 CB PHE A 43 116.100 0.601 8.929 1.00 0.00 C ATOM 608 CG PHE A 43 116.300 0.159 10.359 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.214 1.092 11.399 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.568 -1.186 10.644 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.399 0.681 12.725 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.752 -1.597 11.970 1.00 0.00 C ATOM 613 CZ PHE A 43 116.666 -0.664 13.011 1.00 0.00 C ATOM 0 H PHE A 43 114.402 -1.332 8.107 1.00 0.00 H new ATOM 0 HA PHE A 43 114.137 1.430 9.179 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.599 -0.105 8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.581 1.569 8.785 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.005 2.128 11.179 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.633 -1.906 9.841 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.336 1.401 13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.960 -2.634 12.190 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.805 -0.981 14.034 1.00 0.00 H new ATOM 623 N THR A 44 114.101 2.423 6.881 1.00 0.00 N ATOM 624 CA THR A 44 113.920 2.955 5.530 1.00 0.00 C ATOM 625 C THR A 44 114.685 4.261 5.355 1.00 0.00 C ATOM 626 O THR A 44 114.636 5.136 6.220 1.00 0.00 O ATOM 627 CB THR A 44 112.431 3.197 5.270 1.00 0.00 C ATOM 628 OG1 THR A 44 111.709 1.999 5.522 1.00 0.00 O ATOM 629 CG2 THR A 44 112.219 3.624 3.815 1.00 0.00 C ATOM 0 H THR A 44 113.877 3.078 7.630 1.00 0.00 H new ATOM 0 HA THR A 44 114.307 2.227 4.817 1.00 0.00 H new ATOM 0 HB THR A 44 112.074 3.987 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 44 110.755 2.151 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.157 3.795 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.772 4.543 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.577 2.839 3.149 1.00 0.00 H new ATOM 637 N TYR A 45 115.385 4.378 4.230 1.00 0.00 N ATOM 638 CA TYR A 45 116.082 5.614 3.880 1.00 0.00 C ATOM 639 C TYR A 45 115.666 6.052 2.481 1.00 0.00 C ATOM 640 O TYR A 45 115.581 5.222 1.578 1.00 0.00 O ATOM 641 CB TYR A 45 117.595 5.393 3.922 1.00 0.00 C ATOM 642 CG TYR A 45 118.392 6.650 3.659 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.673 7.534 4.709 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.851 6.929 2.366 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.412 8.698 4.464 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.591 8.093 2.123 1.00 0.00 C ATOM 647 CZ TYR A 45 119.871 8.976 3.171 1.00 0.00 C ATOM 648 OH TYR A 45 120.601 10.123 2.930 1.00 0.00 O ATOM 0 H TYR A 45 115.485 3.631 3.543 1.00 0.00 H new ATOM 0 HA TYR A 45 115.818 6.390 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.870 4.995 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 45 117.865 4.639 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.320 7.318 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.635 6.247 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.628 9.381 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.946 8.309 1.126 1.00 0.00 H new ATOM 0 HH TYR A 45 120.843 10.163 1.981 1.00 0.00 H new ATOM 658 N THR A 46 115.415 7.350 2.295 1.00 0.00 N ATOM 659 CA THR A 46 114.912 7.847 1.014 1.00 0.00 C ATOM 660 C THR A 46 115.981 8.639 0.267 1.00 0.00 C ATOM 661 O THR A 46 116.830 9.289 0.876 1.00 0.00 O ATOM 662 CB THR A 46 113.689 8.736 1.244 1.00 0.00 C ATOM 663 OG1 THR A 46 112.818 8.110 2.172 1.00 0.00 O ATOM 664 CG2 THR A 46 112.950 8.945 -0.082 1.00 0.00 C ATOM 0 H THR A 46 115.550 8.068 3.007 1.00 0.00 H new ATOM 0 HA THR A 46 114.635 6.985 0.407 1.00 0.00 H new ATOM 0 HB THR A 46 114.012 9.700 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.035 8.680 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.079 9.579 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.617 9.425 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.628 7.981 -0.475 1.00 0.00 H new ATOM 672 N GLU A 47 115.924 8.574 -1.060 1.00 0.00 N ATOM 673 CA GLU A 47 116.907 9.240 -1.904 1.00 0.00 C ATOM 674 C GLU A 47 116.216 10.003 -3.030 1.00 0.00 C ATOM 675 O GLU A 47 115.222 9.532 -3.587 1.00 0.00 O ATOM 676 CB GLU A 47 117.854 8.197 -2.503 1.00 0.00 C ATOM 677 CG GLU A 47 118.980 8.896 -3.273 1.00 0.00 C ATOM 678 CD GLU A 47 119.899 7.889 -3.975 1.00 0.00 C ATOM 679 OE1 GLU A 47 119.665 6.692 -3.881 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.838 8.337 -4.613 1.00 0.00 O ATOM 0 H GLU A 47 115.205 8.065 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 47 117.471 9.947 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.274 7.577 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 47 117.303 7.533 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.550 9.572 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.566 9.506 -2.586 1.00 0.00 H new ATOM 687 N LYS A 48 116.736 11.187 -3.340 1.00 0.00 N ATOM 688 CA LYS A 48 116.227 11.978 -4.456 1.00 0.00 C ATOM 689 C LYS A 48 117.383 12.493 -5.308 1.00 0.00 C ATOM 690 O LYS A 48 118.436 12.858 -4.786 1.00 0.00 O ATOM 691 CB LYS A 48 115.413 13.167 -3.941 1.00 0.00 C ATOM 692 CG LYS A 48 114.226 12.664 -3.118 1.00 0.00 C ATOM 693 CD LYS A 48 113.269 13.827 -2.842 1.00 0.00 C ATOM 694 CE LYS A 48 113.952 14.874 -1.957 1.00 0.00 C ATOM 695 NZ LYS A 48 114.667 15.859 -2.816 1.00 0.00 N ATOM 0 H LYS A 48 117.509 11.620 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 48 115.585 11.338 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.043 13.814 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.058 13.767 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 113.706 11.871 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.576 12.236 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.957 14.282 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 112.368 13.458 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.212 15.383 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.654 14.390 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 114.543 16.815 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 115.680 15.625 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 114.278 15.826 -3.780 1.00 0.00 H new ATOM 709 N SER A 49 117.181 12.520 -6.621 1.00 0.00 N ATOM 710 CA SER A 49 118.202 13.031 -7.529 1.00 0.00 C ATOM 711 C SER A 49 117.561 13.843 -8.648 1.00 0.00 C ATOM 712 O SER A 49 116.582 13.413 -9.258 1.00 0.00 O ATOM 713 CB SER A 49 118.994 11.867 -8.129 1.00 0.00 C ATOM 714 OG SER A 49 120.050 12.385 -8.927 1.00 0.00 O ATOM 0 H SER A 49 116.328 12.197 -7.077 1.00 0.00 H new ATOM 0 HA SER A 49 118.876 13.677 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 49 119.396 11.237 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 49 118.340 11.239 -8.733 1.00 0.00 H new ATOM 0 HG SER A 49 120.562 11.644 -9.313 1.00 0.00 H new ATOM 720 N ARG A 50 118.118 15.021 -8.915 1.00 0.00 N ATOM 721 CA ARG A 50 117.606 15.871 -9.983 1.00 0.00 C ATOM 722 C ARG A 50 118.448 15.698 -11.245 1.00 0.00 C ATOM 723 O ARG A 50 117.981 15.147 -12.242 1.00 0.00 O ATOM 724 CB ARG A 50 117.625 17.336 -9.541 1.00 0.00 C ATOM 725 CG ARG A 50 116.907 18.195 -10.585 1.00 0.00 C ATOM 726 CD ARG A 50 116.869 19.648 -10.113 1.00 0.00 C ATOM 727 NE ARG A 50 118.217 20.224 -10.139 1.00 0.00 N ATOM 728 CZ ARG A 50 118.609 21.228 -9.339 1.00 0.00 C ATOM 729 NH1 ARG A 50 117.805 21.775 -8.458 1.00 0.00 N ATOM 730 NH2 ARG A 50 119.831 21.672 -9.438 1.00 0.00 N ATOM 0 H ARG A 50 118.917 15.405 -8.411 1.00 0.00 H new ATOM 0 HA ARG A 50 116.579 15.578 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 50 117.138 17.441 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 50 118.653 17.677 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 50 117.421 18.127 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 50 115.893 17.826 -10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 50 116.205 20.229 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 50 116.463 19.699 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 50 118.893 19.841 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.847 21.439 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 50 118.138 22.537 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 50 120.471 21.257 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 50 120.147 22.434 -8.838 1.00 0.00 H new ATOM 744 N THR A 51 119.690 16.170 -11.192 1.00 0.00 N ATOM 745 CA THR A 51 120.611 16.033 -12.317 1.00 0.00 C ATOM 746 C THR A 51 121.920 15.406 -11.850 1.00 0.00 C ATOM 747 O THR A 51 122.206 15.368 -10.651 1.00 0.00 O ATOM 748 CB THR A 51 120.900 17.402 -12.941 1.00 0.00 C ATOM 749 OG1 THR A 51 121.582 18.215 -11.996 1.00 0.00 O ATOM 750 CG2 THR A 51 119.593 18.082 -13.354 1.00 0.00 C ATOM 0 H THR A 51 120.082 16.651 -10.382 1.00 0.00 H new ATOM 0 HA THR A 51 120.146 15.390 -13.064 1.00 0.00 H new ATOM 0 HB THR A 51 121.521 17.266 -13.826 1.00 0.00 H new ATOM 0 HG1 THR A 51 121.770 19.091 -12.393 1.00 0.00 H new ATOM 0 HG21 THR A 51 119.812 19.054 -13.796 1.00 0.00 H new ATOM 0 HG22 THR A 51 119.074 17.460 -14.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 118.960 18.217 -12.477 1.00 0.00 H new ATOM 758 N ALA A 52 122.713 14.915 -12.797 1.00 0.00 N ATOM 759 CA ALA A 52 124.000 14.319 -12.461 1.00 0.00 C ATOM 760 C ALA A 52 125.050 15.406 -12.264 1.00 0.00 C ATOM 761 O ALA A 52 125.421 16.103 -13.207 1.00 0.00 O ATOM 762 CB ALA A 52 124.445 13.371 -13.578 1.00 0.00 C ATOM 0 H ALA A 52 122.490 14.918 -13.792 1.00 0.00 H new ATOM 0 HA ALA A 52 123.892 13.757 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 125.408 12.930 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 52 123.705 12.580 -13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 52 124.540 13.927 -14.511 1.00 0.00 H new ATOM 768 N SER A 53 125.528 15.544 -11.029 1.00 0.00 N ATOM 769 CA SER A 53 126.520 16.566 -10.704 1.00 0.00 C ATOM 770 C SER A 53 127.748 15.933 -10.057 1.00 0.00 C ATOM 771 O SER A 53 127.646 14.923 -9.364 1.00 0.00 O ATOM 772 CB SER A 53 125.915 17.594 -9.748 1.00 0.00 C ATOM 773 OG SER A 53 124.771 18.179 -10.358 1.00 0.00 O ATOM 0 H SER A 53 125.246 14.963 -10.240 1.00 0.00 H new ATOM 0 HA SER A 53 126.821 17.060 -11.628 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.637 17.116 -8.808 1.00 0.00 H new ATOM 0 HB3 SER A 53 126.649 18.364 -9.510 1.00 0.00 H new ATOM 0 HG SER A 53 124.377 18.838 -9.749 1.00 0.00 H new ATOM 779 N SER A 54 128.908 16.536 -10.292 1.00 0.00 N ATOM 780 CA SER A 54 130.153 16.036 -9.716 1.00 0.00 C ATOM 781 C SER A 54 130.086 16.012 -8.191 1.00 0.00 C ATOM 782 O SER A 54 130.632 15.110 -7.554 1.00 0.00 O ATOM 783 CB SER A 54 131.322 16.915 -10.161 1.00 0.00 C ATOM 784 OG SER A 54 131.342 16.984 -11.580 1.00 0.00 O ATOM 0 H SER A 54 129.013 17.367 -10.874 1.00 0.00 H new ATOM 0 HA SER A 54 130.302 15.016 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.222 17.915 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 54 132.262 16.505 -9.792 1.00 0.00 H new ATOM 0 HG SER A 54 132.089 17.548 -11.870 1.00 0.00 H new ATOM 790 N GLY A 55 129.416 17.003 -7.606 1.00 0.00 N ATOM 791 CA GLY A 55 129.308 17.085 -6.150 1.00 0.00 C ATOM 792 C GLY A 55 128.209 16.182 -5.573 1.00 0.00 C ATOM 793 O GLY A 55 127.797 16.379 -4.431 1.00 0.00 O ATOM 0 H GLY A 55 128.944 17.753 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 55 130.265 16.811 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 55 129.108 18.118 -5.865 1.00 0.00 H new ATOM 797 N ASP A 56 127.738 15.208 -6.354 1.00 0.00 N ATOM 798 CA ASP A 56 126.716 14.273 -5.891 1.00 0.00 C ATOM 799 C ASP A 56 125.415 14.995 -5.549 1.00 0.00 C ATOM 800 O ASP A 56 125.416 16.174 -5.193 1.00 0.00 O ATOM 801 CB ASP A 56 127.212 13.497 -4.666 1.00 0.00 C ATOM 802 CG ASP A 56 128.481 12.721 -5.005 1.00 0.00 C ATOM 803 OD1 ASP A 56 128.614 12.298 -6.143 1.00 0.00 O ATOM 804 OD2 ASP A 56 129.304 12.559 -4.120 1.00 0.00 O ATOM 0 H ASP A 56 128.050 15.048 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 56 126.519 13.574 -6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 56 127.409 14.187 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 56 126.438 12.809 -4.325 1.00 0.00 H new ATOM 809 N TYR A 57 124.303 14.280 -5.674 1.00 0.00 N ATOM 810 CA TYR A 57 122.998 14.844 -5.353 1.00 0.00 C ATOM 811 C TYR A 57 122.942 15.267 -3.889 1.00 0.00 C ATOM 812 O TYR A 57 123.697 14.760 -3.059 1.00 0.00 O ATOM 813 CB TYR A 57 121.905 13.810 -5.646 1.00 0.00 C ATOM 814 CG TYR A 57 121.955 12.598 -4.742 1.00 0.00 C ATOM 815 CD1 TYR A 57 122.723 11.486 -5.107 1.00 0.00 C ATOM 816 CD2 TYR A 57 121.241 12.593 -3.538 1.00 0.00 C ATOM 817 CE1 TYR A 57 122.775 10.366 -4.267 1.00 0.00 C ATOM 818 CE2 TYR A 57 121.294 11.474 -2.698 1.00 0.00 C ATOM 819 CZ TYR A 57 122.060 10.361 -3.063 1.00 0.00 C ATOM 820 OH TYR A 57 122.113 9.256 -2.235 1.00 0.00 O ATOM 0 H TYR A 57 124.279 13.312 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 57 122.834 15.727 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.930 14.287 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.995 13.483 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 57 123.275 11.491 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 57 120.650 13.452 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.366 9.507 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 57 120.744 11.470 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 57 122.232 8.447 -2.776 1.00 0.00 H new ATOM 830 N ASN A 58 122.045 16.196 -3.574 1.00 0.00 N ATOM 831 CA ASN A 58 121.896 16.663 -2.200 1.00 0.00 C ATOM 832 C ASN A 58 120.704 17.607 -2.067 1.00 0.00 C ATOM 833 O ASN A 58 120.711 18.715 -2.601 1.00 0.00 O ATOM 834 CB ASN A 58 123.176 17.370 -1.746 1.00 0.00 C ATOM 835 CG ASN A 58 123.444 18.599 -2.608 1.00 0.00 C ATOM 836 OD1 ASN A 58 122.955 18.690 -3.734 1.00 0.00 O ATOM 837 ND2 ASN A 58 124.196 19.558 -2.142 1.00 0.00 N ATOM 0 H ASN A 58 121.416 16.637 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 58 121.717 15.796 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 58 123.084 17.665 -0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 58 124.020 16.683 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.379 20.385 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 58 124.600 19.481 -1.209 1.00 0.00 H new ATOM 844 N LYS A 59 119.675 17.152 -1.361 1.00 0.00 N ATOM 845 CA LYS A 59 118.497 17.982 -1.134 1.00 0.00 C ATOM 846 C LYS A 59 117.876 17.672 0.230 1.00 0.00 C ATOM 847 O LYS A 59 118.018 18.454 1.170 1.00 0.00 O ATOM 848 CB LYS A 59 117.471 17.761 -2.251 1.00 0.00 C ATOM 849 CG LYS A 59 118.055 18.230 -3.585 1.00 0.00 C ATOM 850 CD LYS A 59 116.990 18.109 -4.679 1.00 0.00 C ATOM 851 CE LYS A 59 117.605 18.461 -6.033 1.00 0.00 C ATOM 852 NZ LYS A 59 118.575 17.401 -6.429 1.00 0.00 N ATOM 0 H LYS A 59 119.631 16.224 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 59 118.803 19.028 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 59 117.205 16.706 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 59 116.555 18.309 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 59 118.392 19.263 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 59 118.927 17.630 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 59 116.591 17.095 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 59 116.155 18.775 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.823 18.553 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 59 118.108 19.426 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 119.006 17.649 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 119.318 17.322 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 118.079 16.491 -6.516 1.00 0.00 H new ATOM 866 N ASN A 60 117.197 16.531 0.340 1.00 0.00 N ATOM 867 CA ASN A 60 116.550 16.150 1.590 1.00 0.00 C ATOM 868 C ASN A 60 116.819 14.682 1.908 1.00 0.00 C ATOM 869 O ASN A 60 116.928 13.853 1.004 1.00 0.00 O ATOM 870 CB ASN A 60 115.040 16.377 1.483 1.00 0.00 C ATOM 871 CG ASN A 60 114.743 17.854 1.245 1.00 0.00 C ATOM 872 OD1 ASN A 60 115.552 18.717 1.580 1.00 0.00 O ATOM 873 ND2 ASN A 60 113.618 18.198 0.676 1.00 0.00 N ATOM 0 H ASN A 60 117.082 15.859 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 60 116.959 16.766 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.633 15.781 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.549 16.043 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 60 113.411 19.183 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 60 112.947 17.482 0.398 1.00 0.00 H new ATOM 880 N GLN A 61 116.922 14.364 3.196 1.00 0.00 N ATOM 881 CA GLN A 61 117.106 12.978 3.626 1.00 0.00 C ATOM 882 C GLN A 61 115.945 12.554 4.515 1.00 0.00 C ATOM 883 O GLN A 61 115.431 13.363 5.288 1.00 0.00 O ATOM 884 CB GLN A 61 118.420 12.843 4.399 1.00 0.00 C ATOM 885 CG GLN A 61 119.594 13.157 3.469 1.00 0.00 C ATOM 886 CD GLN A 61 120.915 13.116 4.236 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.930 13.189 5.466 1.00 0.00 O ATOM 888 NE2 GLN A 61 122.035 13.000 3.577 1.00 0.00 N ATOM 0 H GLN A 61 116.882 15.042 3.957 1.00 0.00 H new ATOM 0 HA GLN A 61 117.139 12.335 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 61 118.425 13.523 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.518 11.833 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 61 119.620 12.437 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 61 119.457 14.142 3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 61 122.024 12.939 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 61 122.922 12.970 4.080 1.00 0.00 H new ATOM 897 N TYR A 62 115.531 11.293 4.406 1.00 0.00 N ATOM 898 CA TYR A 62 114.409 10.795 5.199 1.00 0.00 C ATOM 899 C TYR A 62 114.766 9.462 5.847 1.00 0.00 C ATOM 900 O TYR A 62 115.347 8.586 5.205 1.00 0.00 O ATOM 901 CB TYR A 62 113.186 10.619 4.299 1.00 0.00 C ATOM 902 CG TYR A 62 111.903 10.346 5.048 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.144 11.411 5.547 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.466 9.027 5.233 1.00 0.00 C ATOM 905 CE1 TYR A 62 109.949 11.161 6.230 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.272 8.777 5.918 1.00 0.00 C ATOM 907 CZ TYR A 62 109.513 9.843 6.416 1.00 0.00 C ATOM 908 OH TYR A 62 108.332 9.596 7.086 1.00 0.00 O ATOM 0 H TYR A 62 115.951 10.603 3.783 1.00 0.00 H new ATOM 0 HA TYR A 62 114.185 11.517 5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.058 11.519 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 62 113.372 9.797 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.481 12.427 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 62 112.050 8.205 4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 62 109.363 11.983 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.935 7.761 6.063 1.00 0.00 H new ATOM 0 HH TYR A 62 108.175 8.630 7.127 1.00 0.00 H new ATOM 918 N TYR A 63 114.420 9.316 7.121 1.00 0.00 N ATOM 919 CA TYR A 63 114.707 8.084 7.846 1.00 0.00 C ATOM 920 C TYR A 63 113.512 7.696 8.707 1.00 0.00 C ATOM 921 O TYR A 63 112.944 8.544 9.395 1.00 0.00 O ATOM 922 CB TYR A 63 115.940 8.277 8.732 1.00 0.00 C ATOM 923 CG TYR A 63 116.377 7.020 9.445 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.298 6.156 8.841 1.00 0.00 C ATOM 925 CD2 TYR A 63 115.863 6.722 10.713 1.00 0.00 C ATOM 926 CE1 TYR A 63 117.705 4.993 9.505 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.270 5.558 11.377 1.00 0.00 C ATOM 928 CZ TYR A 63 117.191 4.693 10.772 1.00 0.00 C ATOM 929 OH TYR A 63 117.593 3.547 11.428 1.00 0.00 O ATOM 0 H TYR A 63 113.943 10.031 7.671 1.00 0.00 H new ATOM 0 HA TYR A 63 114.902 7.288 7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.764 8.641 8.119 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.728 9.049 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.694 6.387 7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.153 7.389 11.179 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.416 4.327 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.874 5.327 12.355 1.00 0.00 H new ATOM 0 HH TYR A 63 117.426 2.768 10.858 1.00 0.00 H new ATOM 939 N GLY A 64 113.116 6.427 8.650 1.00 0.00 N ATOM 940 CA GLY A 64 111.978 5.963 9.438 1.00 0.00 C ATOM 941 C GLY A 64 112.249 4.601 10.062 1.00 0.00 C ATOM 942 O GLY A 64 112.960 3.779 9.483 1.00 0.00 O ATOM 0 H GLY A 64 113.559 5.711 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.759 6.687 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.094 5.904 8.803 1.00 0.00 H new ATOM 946 N ILE A 65 111.674 4.370 11.240 1.00 0.00 N ATOM 947 CA ILE A 65 111.793 3.077 11.910 1.00 0.00 C ATOM 948 C ILE A 65 110.401 2.568 12.266 1.00 0.00 C ATOM 949 O ILE A 65 109.613 3.289 12.876 1.00 0.00 O ATOM 950 CB ILE A 65 112.672 3.229 13.159 1.00 0.00 C ATOM 951 CG1 ILE A 65 112.935 1.856 13.822 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.057 4.241 14.136 1.00 0.00 C ATOM 953 CD1 ILE A 65 111.774 1.316 14.683 1.00 0.00 C ATOM 0 H ILE A 65 111.122 5.060 11.750 1.00 0.00 H new ATOM 0 HA ILE A 65 112.266 2.349 11.251 1.00 0.00 H new ATOM 0 HB ILE A 65 113.642 3.624 12.856 1.00 0.00 H new ATOM 0 HG12 ILE A 65 113.157 1.129 13.041 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.825 1.935 14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 112.696 4.333 15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.969 5.211 13.647 1.00 0.00 H new ATOM 0 HG23 ILE A 65 111.069 3.898 14.441 1.00 0.00 H new ATOM 0 HD11 ILE A 65 112.052 0.350 15.105 1.00 0.00 H new ATOM 0 HD12 ILE A 65 111.563 2.017 15.490 1.00 0.00 H new ATOM 0 HD13 ILE A 65 110.885 1.198 14.063 1.00 0.00 H new ATOM 965 N THR A 66 110.098 1.337 11.859 1.00 0.00 N ATOM 966 CA THR A 66 108.788 0.743 12.124 1.00 0.00 C ATOM 967 C THR A 66 108.937 -0.572 12.886 1.00 0.00 C ATOM 968 O THR A 66 109.962 -1.241 12.780 1.00 0.00 O ATOM 969 CB THR A 66 108.048 0.468 10.807 1.00 0.00 C ATOM 970 OG1 THR A 66 108.701 -0.590 10.121 1.00 0.00 O ATOM 971 CG2 THR A 66 108.010 1.709 9.901 1.00 0.00 C ATOM 0 H THR A 66 110.739 0.732 11.346 1.00 0.00 H new ATOM 0 HA THR A 66 108.218 1.450 12.726 1.00 0.00 H new ATOM 0 HB THR A 66 107.020 0.197 11.048 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.233 -0.772 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.478 1.471 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.497 2.521 10.417 1.00 0.00 H new ATOM 0 HG23 THR A 66 109.028 2.017 9.662 1.00 0.00 H new ATOM 979 N ALA A 67 107.894 -0.945 13.622 1.00 0.00 N ATOM 980 CA ALA A 67 107.865 -2.234 14.306 1.00 0.00 C ATOM 981 C ALA A 67 106.442 -2.779 14.296 1.00 0.00 C ATOM 982 O ALA A 67 105.491 -1.995 14.288 1.00 0.00 O ATOM 983 CB ALA A 67 108.350 -2.077 15.750 1.00 0.00 C ATOM 0 H ALA A 67 107.060 -0.375 13.760 1.00 0.00 H new ATOM 0 HA ALA A 67 108.526 -2.929 13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.324 -3.045 16.250 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.371 -1.695 15.751 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.701 -1.378 16.278 1.00 0.00 H new ATOM 989 N GLY A 68 106.289 -4.106 14.255 1.00 0.00 N ATOM 990 CA GLY A 68 104.948 -4.685 14.200 1.00 0.00 C ATOM 991 C GLY A 68 104.929 -6.195 14.448 1.00 0.00 C ATOM 992 O GLY A 68 105.984 -6.823 14.522 1.00 0.00 O ATOM 0 H GLY A 68 107.054 -4.781 14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.317 -4.194 14.941 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.511 -4.479 13.223 1.00 0.00 H new ATOM 996 N PRO A 69 103.759 -6.783 14.601 1.00 0.00 N ATOM 997 CA PRO A 69 103.614 -8.257 14.738 1.00 0.00 C ATOM 998 C PRO A 69 103.212 -8.935 13.428 1.00 0.00 C ATOM 999 O PRO A 69 102.255 -8.518 12.765 1.00 0.00 O ATOM 1000 CB PRO A 69 102.497 -8.380 15.775 1.00 0.00 C ATOM 1001 CG PRO A 69 101.642 -7.166 15.597 1.00 0.00 C ATOM 1002 CD PRO A 69 102.428 -6.164 14.742 1.00 0.00 C ATOM 0 HA PRO A 69 104.548 -8.744 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.919 -9.291 15.621 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.904 -8.427 16.785 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.702 -7.428 15.112 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.391 -6.730 16.564 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.955 -6.009 13.772 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.490 -5.189 15.226 1.00 0.00 H new ATOM 1010 N ALA A 70 104.040 -9.883 12.996 1.00 0.00 N ATOM 1011 CA ALA A 70 103.721 -10.745 11.861 1.00 0.00 C ATOM 1012 C ALA A 70 102.797 -11.887 12.281 1.00 0.00 C ATOM 1013 O ALA A 70 102.993 -12.477 13.346 1.00 0.00 O ATOM 1014 CB ALA A 70 105.007 -11.321 11.268 1.00 0.00 C ATOM 0 H ALA A 70 104.947 -10.075 13.421 1.00 0.00 H new ATOM 0 HA ALA A 70 103.208 -10.142 11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.762 -11.963 10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.649 -10.507 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.528 -11.904 12.027 1.00 0.00 H new ATOM 1020 N TYR A 71 101.822 -12.217 11.435 1.00 0.00 N ATOM 1021 CA TYR A 71 101.006 -13.411 11.633 1.00 0.00 C ATOM 1022 C TYR A 71 101.168 -14.318 10.418 1.00 0.00 C ATOM 1023 O TYR A 71 100.926 -13.884 9.294 1.00 0.00 O ATOM 1024 CB TYR A 71 99.534 -13.021 11.779 1.00 0.00 C ATOM 1025 CG TYR A 71 99.276 -12.009 12.872 1.00 0.00 C ATOM 1026 CD1 TYR A 71 99.000 -12.439 14.175 1.00 0.00 C ATOM 1027 CD2 TYR A 71 99.315 -10.641 12.579 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.760 -11.500 15.184 1.00 0.00 C ATOM 1029 CE2 TYR A 71 99.076 -9.701 13.589 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.797 -10.131 14.892 1.00 0.00 C ATOM 1031 OH TYR A 71 98.561 -9.206 15.888 1.00 0.00 O ATOM 0 H TYR A 71 101.579 -11.674 10.607 1.00 0.00 H new ATOM 0 HA TYR A 71 101.327 -13.928 12.538 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.179 -12.616 10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.949 -13.918 11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.972 -13.495 14.401 1.00 0.00 H new ATOM 0 HD2 TYR A 71 99.530 -10.310 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 71 98.546 -11.831 16.189 1.00 0.00 H new ATOM 0 HE2 TYR A 71 99.107 -8.645 13.363 1.00 0.00 H new ATOM 0 HH TYR A 71 98.626 -8.301 15.516 1.00 0.00 H new ATOM 1041 N ARG A 72 101.559 -15.574 10.633 1.00 0.00 N ATOM 1042 CA ARG A 72 101.843 -16.471 9.512 1.00 0.00 C ATOM 1043 C ARG A 72 100.689 -17.423 9.213 1.00 0.00 C ATOM 1044 O ARG A 72 100.324 -18.263 10.035 1.00 0.00 O ATOM 1045 CB ARG A 72 103.107 -17.287 9.790 1.00 0.00 C ATOM 1046 CG ARG A 72 104.333 -16.378 9.691 1.00 0.00 C ATOM 1047 CD ARG A 72 105.601 -17.219 9.828 1.00 0.00 C ATOM 1048 NE ARG A 72 106.782 -16.351 9.830 1.00 0.00 N ATOM 1049 CZ ARG A 72 107.989 -16.743 9.390 1.00 0.00 C ATOM 1050 NH1 ARG A 72 108.217 -17.963 8.963 1.00 0.00 N ATOM 1051 NH2 ARG A 72 108.970 -15.883 9.387 1.00 0.00 N ATOM 0 H ARG A 72 101.685 -15.989 11.556 1.00 0.00 H new ATOM 0 HA ARG A 72 101.988 -15.837 8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.052 -17.735 10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.189 -18.105 9.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.333 -15.852 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.301 -15.619 10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.564 -17.799 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.665 -17.932 9.006 1.00 0.00 H new ATOM 0 HE ARG A 72 106.682 -15.400 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.464 -18.651 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 72 109.148 -18.223 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.814 -14.930 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.893 -16.164 9.056 1.00 0.00 H new ATOM 1065 N ILE A 73 100.126 -17.271 8.018 1.00 0.00 N ATOM 1066 CA ILE A 73 99.149 -18.219 7.497 1.00 0.00 C ATOM 1067 C ILE A 73 99.862 -19.220 6.592 1.00 0.00 C ATOM 1068 O ILE A 73 100.637 -18.834 5.715 1.00 0.00 O ATOM 1069 CB ILE A 73 98.047 -17.478 6.732 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.370 -16.477 7.675 1.00 0.00 C ATOM 1071 CG2 ILE A 73 97.003 -18.482 6.229 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.389 -15.577 6.910 1.00 0.00 C ATOM 0 H ILE A 73 100.332 -16.495 7.389 1.00 0.00 H new ATOM 0 HA ILE A 73 98.679 -18.755 8.322 1.00 0.00 H new ATOM 0 HB ILE A 73 98.483 -16.953 5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.839 -17.014 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 73 98.127 -15.863 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.221 -17.952 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.481 -19.203 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.564 -19.006 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 73 95.922 -14.876 7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 73 96.927 -15.023 6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.620 -16.192 6.443 1.00 0.00 H new ATOM 1084 N ASN A 74 99.601 -20.505 6.806 1.00 0.00 N ATOM 1085 CA ASN A 74 100.360 -21.555 6.132 1.00 0.00 C ATOM 1086 C ASN A 74 100.210 -21.493 4.612 1.00 0.00 C ATOM 1087 O ASN A 74 101.125 -21.881 3.885 1.00 0.00 O ATOM 1088 CB ASN A 74 99.893 -22.926 6.629 1.00 0.00 C ATOM 1089 CG ASN A 74 100.186 -23.077 8.119 1.00 0.00 C ATOM 1090 OD1 ASN A 74 101.068 -22.404 8.655 1.00 0.00 O ATOM 1091 ND2 ASN A 74 99.493 -23.926 8.826 1.00 0.00 N ATOM 0 H ASN A 74 98.875 -20.844 7.437 1.00 0.00 H new ATOM 0 HA ASN A 74 101.412 -21.400 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 74 98.824 -23.041 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 74 100.398 -23.714 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 74 99.681 -24.033 9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 74 98.763 -24.483 8.382 1.00 0.00 H new ATOM 1098 N ASP A 75 99.062 -21.025 4.132 1.00 0.00 N ATOM 1099 CA ASP A 75 98.819 -20.962 2.692 1.00 0.00 C ATOM 1100 C ASP A 75 99.335 -19.645 2.102 1.00 0.00 C ATOM 1101 O ASP A 75 98.604 -18.921 1.423 1.00 0.00 O ATOM 1102 CB ASP A 75 97.320 -21.128 2.419 1.00 0.00 C ATOM 1103 CG ASP A 75 97.071 -21.223 0.917 1.00 0.00 C ATOM 1104 OD1 ASP A 75 97.209 -22.311 0.382 1.00 0.00 O ATOM 1105 OD2 ASP A 75 96.745 -20.208 0.326 1.00 0.00 O ATOM 0 H ASP A 75 98.292 -20.687 4.710 1.00 0.00 H new ATOM 0 HA ASP A 75 99.363 -21.773 2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 75 96.949 -22.025 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 75 96.770 -20.283 2.834 1.00 0.00 H new ATOM 1110 N TRP A 76 100.614 -19.351 2.350 1.00 0.00 N ATOM 1111 CA TRP A 76 101.266 -18.132 1.845 1.00 0.00 C ATOM 1112 C TRP A 76 100.366 -16.895 1.920 1.00 0.00 C ATOM 1113 O TRP A 76 100.497 -15.967 1.122 1.00 0.00 O ATOM 1114 CB TRP A 76 101.728 -18.343 0.401 1.00 0.00 C ATOM 1115 CG TRP A 76 100.628 -18.697 -0.551 1.00 0.00 C ATOM 1116 CD1 TRP A 76 100.196 -19.955 -0.806 1.00 0.00 C ATOM 1117 CD2 TRP A 76 99.826 -17.813 -1.391 1.00 0.00 C ATOM 1118 NE1 TRP A 76 99.176 -19.899 -1.736 1.00 0.00 N ATOM 1119 CE2 TRP A 76 98.911 -18.603 -2.130 1.00 0.00 C ATOM 1120 CE3 TRP A 76 99.799 -16.421 -1.579 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 98.003 -18.027 -3.023 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 98.891 -15.840 -2.475 1.00 0.00 C ATOM 1123 CH2 TRP A 76 97.993 -16.640 -3.195 1.00 0.00 C ATOM 0 H TRP A 76 101.228 -19.947 2.905 1.00 0.00 H new ATOM 0 HA TRP A 76 102.123 -17.946 2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 76 102.217 -17.434 0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 76 102.477 -19.135 0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 76 100.586 -20.856 -0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 76 98.679 -20.717 -2.089 1.00 0.00 H new ATOM 0 HE3 TRP A 76 100.484 -15.793 -1.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 97.314 -18.649 -3.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 98.883 -14.769 -2.612 1.00 0.00 H new ATOM 0 HH2 TRP A 76 97.294 -16.185 -3.882 1.00 0.00 H new ATOM 1134 N ALA A 77 99.466 -16.886 2.897 1.00 0.00 N ATOM 1135 CA ALA A 77 98.499 -15.803 3.052 1.00 0.00 C ATOM 1136 C ALA A 77 98.841 -14.886 4.229 1.00 0.00 C ATOM 1137 O ALA A 77 97.961 -14.196 4.743 1.00 0.00 O ATOM 1138 CB ALA A 77 97.101 -16.389 3.262 1.00 0.00 C ATOM 0 H ALA A 77 99.385 -17.622 3.599 1.00 0.00 H new ATOM 0 HA ALA A 77 98.531 -15.205 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.381 -15.579 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.828 -16.997 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.097 -17.009 4.159 1.00 0.00 H new ATOM 1144 N SER A 78 100.107 -14.851 4.652 1.00 0.00 N ATOM 1145 CA SER A 78 100.443 -14.242 5.932 1.00 0.00 C ATOM 1146 C SER A 78 100.232 -12.738 5.862 1.00 0.00 C ATOM 1147 O SER A 78 100.165 -12.165 4.775 1.00 0.00 O ATOM 1148 CB SER A 78 101.899 -14.541 6.291 1.00 0.00 C ATOM 1149 OG SER A 78 102.105 -15.947 6.272 1.00 0.00 O ATOM 0 H SER A 78 100.900 -15.231 4.135 1.00 0.00 H new ATOM 0 HA SER A 78 99.794 -14.661 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.568 -14.054 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.133 -14.140 7.277 1.00 0.00 H new ATOM 0 HG SER A 78 103.038 -16.144 6.500 1.00 0.00 H new ATOM 1155 N ILE A 79 100.087 -12.112 7.022 1.00 0.00 N ATOM 1156 CA ILE A 79 99.847 -10.678 7.074 1.00 0.00 C ATOM 1157 C ILE A 79 100.580 -10.085 8.272 1.00 0.00 C ATOM 1158 O ILE A 79 100.486 -10.602 9.382 1.00 0.00 O ATOM 1159 CB ILE A 79 98.341 -10.404 7.163 1.00 0.00 C ATOM 1160 CG1 ILE A 79 98.084 -8.893 7.180 1.00 0.00 C ATOM 1161 CG2 ILE A 79 97.764 -11.033 8.435 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.606 -8.622 6.894 1.00 0.00 C ATOM 0 H ILE A 79 100.131 -12.571 7.932 1.00 0.00 H new ATOM 0 HA ILE A 79 100.225 -10.208 6.166 1.00 0.00 H new ATOM 0 HB ILE A 79 97.855 -10.844 6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.360 -8.478 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.706 -8.399 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.694 -10.832 8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 97.930 -12.110 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.257 -10.605 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 79 96.424 -7.547 6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.345 -9.023 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 79 95.994 -9.102 7.657 1.00 0.00 H new ATOM 1174 N TYR A 80 101.335 -9.023 8.035 1.00 0.00 N ATOM 1175 CA TYR A 80 101.993 -8.308 9.123 1.00 0.00 C ATOM 1176 C TYR A 80 101.662 -6.825 9.032 1.00 0.00 C ATOM 1177 O TYR A 80 101.592 -6.277 7.934 1.00 0.00 O ATOM 1178 CB TYR A 80 103.509 -8.529 9.058 1.00 0.00 C ATOM 1179 CG TYR A 80 104.191 -7.862 7.883 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.260 -8.516 6.647 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.757 -6.592 8.034 1.00 0.00 C ATOM 1182 CE1 TYR A 80 104.895 -7.898 5.564 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.392 -5.973 6.951 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.463 -6.629 5.716 1.00 0.00 C ATOM 1185 OH TYR A 80 106.092 -6.021 4.649 1.00 0.00 O ATOM 0 H TYR A 80 101.508 -8.638 7.107 1.00 0.00 H new ATOM 0 HA TYR A 80 101.633 -8.691 10.078 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.957 -8.159 9.980 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.706 -9.600 9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 80 103.823 -9.497 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 80 104.704 -6.088 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 80 104.947 -8.401 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 80 105.826 -4.991 7.068 1.00 0.00 H new ATOM 0 HH TYR A 80 105.943 -6.549 3.837 1.00 0.00 H new ATOM 1195 N GLY A 81 101.466 -6.189 10.185 1.00 0.00 N ATOM 1196 CA GLY A 81 101.159 -4.759 10.212 1.00 0.00 C ATOM 1197 C GLY A 81 102.163 -4.020 11.082 1.00 0.00 C ATOM 1198 O GLY A 81 102.500 -4.484 12.168 1.00 0.00 O ATOM 0 H GLY A 81 101.513 -6.633 11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.180 -4.357 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.151 -4.604 10.596 1.00 0.00 H new ATOM 1202 N VAL A 82 102.616 -2.855 10.624 1.00 0.00 N ATOM 1203 CA VAL A 82 103.661 -2.121 11.336 1.00 0.00 C ATOM 1204 C VAL A 82 103.328 -0.636 11.425 1.00 0.00 C ATOM 1205 O VAL A 82 102.634 -0.093 10.564 1.00 0.00 O ATOM 1206 CB VAL A 82 105.004 -2.291 10.618 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.414 -3.764 10.621 1.00 0.00 C ATOM 1208 CG2 VAL A 82 104.885 -1.805 9.173 1.00 0.00 C ATOM 0 H VAL A 82 102.281 -2.403 9.773 1.00 0.00 H new ATOM 0 HA VAL A 82 103.725 -2.527 12.345 1.00 0.00 H new ATOM 0 HB VAL A 82 105.759 -1.703 11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.370 -3.877 10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.510 -4.113 11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.655 -4.354 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.843 -1.928 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 82 104.124 -2.388 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.604 -0.752 9.165 1.00 0.00 H new ATOM 1218 N VAL A 83 103.854 0.007 12.463 1.00 0.00 N ATOM 1219 CA VAL A 83 103.744 1.453 12.611 1.00 0.00 C ATOM 1220 C VAL A 83 105.121 2.009 12.963 1.00 0.00 C ATOM 1221 O VAL A 83 105.866 1.373 13.707 1.00 0.00 O ATOM 1222 CB VAL A 83 102.717 1.794 13.699 1.00 0.00 C ATOM 1223 CG1 VAL A 83 103.157 1.208 15.043 1.00 0.00 C ATOM 1224 CG2 VAL A 83 102.588 3.314 13.825 1.00 0.00 C ATOM 0 H VAL A 83 104.363 -0.454 13.217 1.00 0.00 H new ATOM 0 HA VAL A 83 103.401 1.904 11.680 1.00 0.00 H new ATOM 0 HB VAL A 83 101.754 1.366 13.422 1.00 0.00 H new ATOM 0 HG11 VAL A 83 102.420 1.457 15.807 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.240 0.125 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 83 104.124 1.625 15.323 1.00 0.00 H new ATOM 0 HG21 VAL A 83 101.858 3.554 14.598 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.555 3.740 14.093 1.00 0.00 H new ATOM 0 HG23 VAL A 83 102.259 3.731 12.873 1.00 0.00 H new ATOM 1234 N GLY A 84 105.471 3.164 12.404 1.00 0.00 N ATOM 1235 CA GLY A 84 106.799 3.719 12.620 1.00 0.00 C ATOM 1236 C GLY A 84 106.768 5.237 12.633 1.00 0.00 C ATOM 1237 O GLY A 84 105.742 5.852 12.348 1.00 0.00 O ATOM 0 H GLY A 84 104.863 3.725 11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.199 3.353 13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.472 3.374 11.835 1.00 0.00 H new ATOM 1241 N VAL A 85 107.916 5.833 12.922 1.00 0.00 N ATOM 1242 CA VAL A 85 108.050 7.283 12.895 1.00 0.00 C ATOM 1243 C VAL A 85 109.111 7.652 11.868 1.00 0.00 C ATOM 1244 O VAL A 85 110.198 7.074 11.863 1.00 0.00 O ATOM 1245 CB VAL A 85 108.433 7.797 14.288 1.00 0.00 C ATOM 1246 CG1 VAL A 85 109.768 7.190 14.730 1.00 0.00 C ATOM 1247 CG2 VAL A 85 108.552 9.324 14.263 1.00 0.00 C ATOM 0 H VAL A 85 108.769 5.335 13.178 1.00 0.00 H new ATOM 0 HA VAL A 85 107.103 7.746 12.616 1.00 0.00 H new ATOM 0 HB VAL A 85 107.657 7.502 14.994 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.027 7.564 15.721 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.681 6.104 14.763 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.547 7.470 14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 85 108.824 9.684 15.255 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.320 9.617 13.547 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.597 9.759 13.969 1.00 0.00 H new ATOM 1257 N GLY A 86 108.779 8.579 10.974 1.00 0.00 N ATOM 1258 CA GLY A 86 109.733 9.023 9.959 1.00 0.00 C ATOM 1259 C GLY A 86 109.956 10.526 10.061 1.00 0.00 C ATOM 1260 O GLY A 86 109.033 11.264 10.388 1.00 0.00 O ATOM 0 H GLY A 86 107.867 9.034 10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.680 8.499 10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.361 8.771 8.966 1.00 0.00 H new ATOM 1264 N TYR A 87 111.178 10.973 9.783 1.00 0.00 N ATOM 1265 CA TYR A 87 111.495 12.395 9.862 1.00 0.00 C ATOM 1266 C TYR A 87 112.375 12.820 8.695 1.00 0.00 C ATOM 1267 O TYR A 87 113.027 11.988 8.064 1.00 0.00 O ATOM 1268 CB TYR A 87 112.192 12.698 11.194 1.00 0.00 C ATOM 1269 CG TYR A 87 113.582 12.114 11.315 1.00 0.00 C ATOM 1270 CD1 TYR A 87 113.759 10.831 11.846 1.00 0.00 C ATOM 1271 CD2 TYR A 87 114.691 12.857 10.897 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.044 10.292 11.958 1.00 0.00 C ATOM 1273 CE2 TYR A 87 115.977 12.318 11.008 1.00 0.00 C ATOM 1274 CZ TYR A 87 116.155 11.034 11.539 1.00 0.00 C ATOM 1275 OH TYR A 87 117.422 10.502 11.650 1.00 0.00 O ATOM 0 H TYR A 87 111.958 10.377 9.504 1.00 0.00 H new ATOM 0 HA TYR A 87 110.566 12.962 9.808 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.252 13.779 11.322 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.577 12.314 12.008 1.00 0.00 H new ATOM 0 HD1 TYR A 87 112.903 10.257 12.169 1.00 0.00 H new ATOM 0 HD2 TYR A 87 114.554 13.847 10.488 1.00 0.00 H new ATOM 0 HE1 TYR A 87 115.180 9.302 12.368 1.00 0.00 H new ATOM 0 HE2 TYR A 87 116.833 12.892 10.684 1.00 0.00 H new ATOM 0 HH TYR A 87 118.078 11.147 11.313 1.00 0.00 H new ATOM 1285 N GLY A 88 112.392 14.122 8.422 1.00 0.00 N ATOM 1286 CA GLY A 88 113.178 14.664 7.317 1.00 0.00 C ATOM 1287 C GLY A 88 114.180 15.701 7.814 1.00 0.00 C ATOM 1288 O GLY A 88 113.941 16.388 8.808 1.00 0.00 O ATOM 0 H GLY A 88 111.871 14.821 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.707 13.856 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.513 15.119 6.582 1.00 0.00 H new ATOM 1292 N LYS A 89 115.304 15.807 7.113 1.00 0.00 N ATOM 1293 CA LYS A 89 116.351 16.751 7.487 1.00 0.00 C ATOM 1294 C LYS A 89 116.832 17.515 6.258 1.00 0.00 C ATOM 1295 O LYS A 89 117.085 16.911 5.214 1.00 0.00 O ATOM 1296 CB LYS A 89 117.524 15.986 8.109 1.00 0.00 C ATOM 1297 CG LYS A 89 118.569 16.968 8.640 1.00 0.00 C ATOM 1298 CD LYS A 89 118.071 17.593 9.944 1.00 0.00 C ATOM 1299 CE LYS A 89 119.168 18.478 10.538 1.00 0.00 C ATOM 1300 NZ LYS A 89 120.183 17.620 11.213 1.00 0.00 N ATOM 0 H LYS A 89 115.513 15.251 6.284 1.00 0.00 H new ATOM 0 HA LYS A 89 115.951 17.462 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.165 15.351 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.975 15.329 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 89 119.514 16.452 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 89 118.759 17.747 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 89 117.174 18.184 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 89 117.796 16.812 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 89 119.639 19.069 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 89 118.737 19.181 11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 120.524 18.096 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.752 16.709 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 120.982 17.455 10.568 1.00 0.00 H new ATOM 1314 N PHE A 90 116.934 18.837 6.377 1.00 0.00 N ATOM 1315 CA PHE A 90 117.420 19.659 5.273 1.00 0.00 C ATOM 1316 C PHE A 90 118.851 20.111 5.551 1.00 0.00 C ATOM 1317 O PHE A 90 119.131 20.697 6.596 1.00 0.00 O ATOM 1318 CB PHE A 90 116.521 20.886 5.105 1.00 0.00 C ATOM 1319 CG PHE A 90 116.768 21.647 3.824 1.00 0.00 C ATOM 1320 CD1 PHE A 90 117.721 22.672 3.787 1.00 0.00 C ATOM 1321 CD2 PHE A 90 116.040 21.327 2.672 1.00 0.00 C ATOM 1322 CE1 PHE A 90 117.944 23.376 2.598 1.00 0.00 C ATOM 1323 CE2 PHE A 90 116.263 22.031 1.483 1.00 0.00 C ATOM 1324 CZ PHE A 90 117.215 23.056 1.446 1.00 0.00 C ATOM 0 H PHE A 90 116.689 19.358 7.219 1.00 0.00 H new ATOM 0 HA PHE A 90 117.401 19.068 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.479 20.569 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.674 21.556 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 90 118.284 22.919 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 90 115.305 20.536 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 90 118.679 24.167 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.701 21.783 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 90 117.387 23.600 0.529 1.00 0.00 H new ATOM 1334 N GLN A 91 119.756 19.837 4.613 1.00 0.00 N ATOM 1335 CA GLN A 91 121.160 20.199 4.786 1.00 0.00 C ATOM 1336 C GLN A 91 121.542 21.349 3.858 1.00 0.00 C ATOM 1337 O GLN A 91 121.537 21.200 2.636 1.00 0.00 O ATOM 1338 CB GLN A 91 122.047 18.987 4.489 1.00 0.00 C ATOM 1339 CG GLN A 91 123.504 19.323 4.818 1.00 0.00 C ATOM 1340 CD GLN A 91 124.412 18.116 4.582 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.941 17.009 4.322 1.00 0.00 O ATOM 1342 NE2 GLN A 91 125.707 18.269 4.660 1.00 0.00 N ATOM 0 H GLN A 91 119.544 19.369 3.732 1.00 0.00 H new ATOM 0 HA GLN A 91 121.308 20.520 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.719 18.131 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 91 121.956 18.706 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 91 123.836 20.158 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 91 123.581 19.643 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 91 126.100 19.185 4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 91 126.325 17.472 4.506 1.00 0.00 H new ATOM 1351 N THR A 92 121.870 22.494 4.449 1.00 0.00 N ATOM 1352 CA THR A 92 122.303 23.654 3.675 1.00 0.00 C ATOM 1353 C THR A 92 123.797 23.893 3.862 1.00 0.00 C ATOM 1354 O THR A 92 124.321 23.747 4.968 1.00 0.00 O ATOM 1355 CB THR A 92 121.532 24.898 4.122 1.00 0.00 C ATOM 1356 OG1 THR A 92 120.137 24.638 4.062 1.00 0.00 O ATOM 1357 CG2 THR A 92 121.873 26.071 3.199 1.00 0.00 C ATOM 0 H THR A 92 121.845 22.644 5.458 1.00 0.00 H new ATOM 0 HA THR A 92 122.103 23.459 2.622 1.00 0.00 H new ATOM 0 HB THR A 92 121.811 25.149 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 92 119.975 23.852 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 92 121.323 26.957 3.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 122.943 26.272 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 92 121.595 25.821 2.175 1.00 0.00 H new ATOM 1365 N THR A 93 124.479 24.258 2.781 1.00 0.00 N ATOM 1366 CA THR A 93 125.901 24.570 2.864 1.00 0.00 C ATOM 1367 C THR A 93 126.095 25.993 3.376 1.00 0.00 C ATOM 1368 O THR A 93 125.478 26.932 2.874 1.00 0.00 O ATOM 1369 CB THR A 93 126.551 24.424 1.486 1.00 0.00 C ATOM 1370 OG1 THR A 93 126.277 23.130 0.970 1.00 0.00 O ATOM 1371 CG2 THR A 93 128.064 24.616 1.611 1.00 0.00 C ATOM 0 H THR A 93 124.076 24.344 1.848 1.00 0.00 H new ATOM 0 HA THR A 93 126.373 23.874 3.557 1.00 0.00 H new ATOM 0 HB THR A 93 126.146 25.178 0.811 1.00 0.00 H new ATOM 0 HG1 THR A 93 126.691 23.036 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 93 128.526 24.512 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 93 128.273 25.610 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 93 128.472 23.863 2.286 1.00 0.00 H new ATOM 1379 N GLU A 94 126.957 26.148 4.381 1.00 0.00 N ATOM 1380 CA GLU A 94 127.206 27.458 4.978 1.00 0.00 C ATOM 1381 C GLU A 94 125.893 28.104 5.428 1.00 0.00 C ATOM 1382 O GLU A 94 125.476 29.142 4.913 1.00 0.00 O ATOM 1383 CB GLU A 94 127.931 28.356 3.969 1.00 0.00 C ATOM 1384 CG GLU A 94 128.392 29.643 4.661 1.00 0.00 C ATOM 1385 CD GLU A 94 129.525 29.359 5.646 1.00 0.00 C ATOM 1386 OE1 GLU A 94 130.234 28.381 5.459 1.00 0.00 O ATOM 1387 OE2 GLU A 94 129.669 30.130 6.581 1.00 0.00 O ATOM 0 H GLU A 94 127.492 25.386 4.797 1.00 0.00 H new ATOM 0 HA GLU A 94 127.838 27.332 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 94 128.789 27.830 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 94 127.267 28.596 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 94 128.727 30.362 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 94 127.553 30.098 5.188 1.00 0.00 H new ATOM 1394 N TYR A 95 125.232 27.463 6.388 1.00 0.00 N ATOM 1395 CA TYR A 95 123.951 27.956 6.880 1.00 0.00 C ATOM 1396 C TYR A 95 124.140 29.241 7.688 1.00 0.00 C ATOM 1397 O TYR A 95 125.209 29.449 8.263 1.00 0.00 O ATOM 1398 CB TYR A 95 123.288 26.893 7.758 1.00 0.00 C ATOM 1399 CG TYR A 95 124.076 26.569 9.005 1.00 0.00 C ATOM 1400 CD1 TYR A 95 125.058 25.572 8.974 1.00 0.00 C ATOM 1401 CD2 TYR A 95 123.823 27.266 10.194 1.00 0.00 C ATOM 1402 CE1 TYR A 95 125.790 25.273 10.130 1.00 0.00 C ATOM 1403 CE2 TYR A 95 124.554 26.966 11.350 1.00 0.00 C ATOM 1404 CZ TYR A 95 125.537 25.970 11.317 1.00 0.00 C ATOM 1405 OH TYR A 95 126.258 25.673 12.458 1.00 0.00 O ATOM 0 H TYR A 95 125.560 26.608 6.837 1.00 0.00 H new ATOM 0 HA TYR A 95 123.313 28.172 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 95 122.294 27.237 8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 95 123.154 25.982 7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 95 125.251 25.033 8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 95 123.064 28.034 10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 95 126.549 24.505 10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 95 124.359 27.503 12.267 1.00 0.00 H new ATOM 0 HH TYR A 95 125.959 26.249 13.193 1.00 0.00 H new ATOM 1415 N PRO A 96 123.147 30.106 7.751 1.00 0.00 N ATOM 1416 CA PRO A 96 123.253 31.359 8.547 1.00 0.00 C ATOM 1417 C PRO A 96 122.848 31.153 10.004 1.00 0.00 C ATOM 1418 O PRO A 96 123.625 31.425 10.920 1.00 0.00 O ATOM 1419 CB PRO A 96 122.293 32.315 7.837 1.00 0.00 C ATOM 1420 CG PRO A 96 121.255 31.450 7.197 1.00 0.00 C ATOM 1421 CD PRO A 96 121.827 30.033 7.092 1.00 0.00 C ATOM 0 HA PRO A 96 124.276 31.732 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.841 33.011 8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 96 122.817 32.913 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.340 31.450 7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 96 120.996 31.832 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 96 121.179 29.308 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 96 121.921 29.721 6.052 1.00 0.00 H new ATOM 1429 N THR A 97 121.625 30.669 10.215 1.00 0.00 N ATOM 1430 CA THR A 97 121.119 30.430 11.566 1.00 0.00 C ATOM 1431 C THR A 97 120.600 29.002 11.698 1.00 0.00 C ATOM 1432 O THR A 97 120.321 28.336 10.700 1.00 0.00 O ATOM 1433 CB THR A 97 119.991 31.413 11.889 1.00 0.00 C ATOM 1434 OG1 THR A 97 118.900 31.184 11.008 1.00 0.00 O ATOM 1435 CG2 THR A 97 120.491 32.852 11.728 1.00 0.00 C ATOM 0 H THR A 97 120.968 30.435 9.471 1.00 0.00 H new ATOM 0 HA THR A 97 121.939 30.577 12.269 1.00 0.00 H new ATOM 0 HB THR A 97 119.666 31.263 12.919 1.00 0.00 H new ATOM 0 HG1 THR A 97 118.176 31.811 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.683 33.546 11.959 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.325 33.026 12.408 1.00 0.00 H new ATOM 0 HG23 THR A 97 120.822 33.010 10.701 1.00 0.00 H new ATOM 1443 N TYR A 98 120.473 28.538 12.937 1.00 0.00 N ATOM 1444 CA TYR A 98 119.967 27.195 13.197 1.00 0.00 C ATOM 1445 C TYR A 98 118.562 27.015 12.626 1.00 0.00 C ATOM 1446 O TYR A 98 118.227 25.954 12.101 1.00 0.00 O ATOM 1447 CB TYR A 98 119.941 26.934 14.703 1.00 0.00 C ATOM 1448 CG TYR A 98 119.522 25.528 15.065 1.00 0.00 C ATOM 1449 CD1 TYR A 98 118.171 25.231 15.273 1.00 0.00 C ATOM 1450 CD2 TYR A 98 120.486 24.521 15.189 1.00 0.00 C ATOM 1451 CE1 TYR A 98 117.782 23.930 15.608 1.00 0.00 C ATOM 1452 CE2 TYR A 98 120.098 23.218 15.525 1.00 0.00 C ATOM 1453 CZ TYR A 98 118.747 22.923 15.733 1.00 0.00 C ATOM 1454 OH TYR A 98 118.363 21.637 16.063 1.00 0.00 O ATOM 0 H TYR A 98 120.712 29.070 13.774 1.00 0.00 H new ATOM 0 HA TYR A 98 120.632 26.482 12.709 1.00 0.00 H new ATOM 0 HB2 TYR A 98 120.932 27.126 15.114 1.00 0.00 H new ATOM 0 HB3 TYR A 98 119.258 27.641 15.174 1.00 0.00 H new ATOM 0 HD1 TYR A 98 117.427 26.008 15.175 1.00 0.00 H new ATOM 0 HD2 TYR A 98 121.529 24.749 15.026 1.00 0.00 H new ATOM 0 HE1 TYR A 98 116.739 23.702 15.770 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.842 22.441 15.623 1.00 0.00 H new ATOM 0 HH TYR A 98 119.154 21.061 16.108 1.00 0.00 H new ATOM 1464 N LYS A 99 117.745 28.061 12.728 1.00 0.00 N ATOM 1465 CA LYS A 99 116.367 27.997 12.253 1.00 0.00 C ATOM 1466 C LYS A 99 116.295 27.569 10.787 1.00 0.00 C ATOM 1467 O LYS A 99 115.340 26.906 10.377 1.00 0.00 O ATOM 1468 CB LYS A 99 115.701 29.367 12.419 1.00 0.00 C ATOM 1469 CG LYS A 99 114.213 29.265 12.075 1.00 0.00 C ATOM 1470 CD LYS A 99 113.572 30.651 12.160 1.00 0.00 C ATOM 1471 CE LYS A 99 112.058 30.528 11.966 1.00 0.00 C ATOM 1472 NZ LYS A 99 111.762 30.262 10.529 1.00 0.00 N ATOM 0 H LYS A 99 118.012 28.958 13.133 1.00 0.00 H new ATOM 0 HA LYS A 99 115.842 27.250 12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 99 115.824 29.719 13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 99 116.184 30.098 11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 99 114.088 28.856 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 99 113.716 28.580 12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 99 113.789 31.105 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 99 113.995 31.306 11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 99 111.666 29.721 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 99 111.564 31.445 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 110.733 30.263 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 112.197 31.002 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 112.150 29.335 10.260 1.00 0.00 H new ATOM 1486 N HIS A 100 117.297 27.944 9.995 1.00 0.00 N ATOM 1487 CA HIS A 100 117.296 27.632 8.568 1.00 0.00 C ATOM 1488 C HIS A 100 117.096 26.136 8.329 1.00 0.00 C ATOM 1489 O HIS A 100 116.403 25.737 7.394 1.00 0.00 O ATOM 1490 CB HIS A 100 118.618 28.075 7.936 1.00 0.00 C ATOM 1491 CG HIS A 100 118.626 27.970 6.436 1.00 0.00 C ATOM 1492 ND1 HIS A 100 117.834 28.776 5.635 1.00 0.00 N ATOM 1493 CD2 HIS A 100 119.319 27.154 5.576 1.00 0.00 C ATOM 1494 CE1 HIS A 100 118.068 28.435 4.356 1.00 0.00 C ATOM 1495 NE2 HIS A 100 118.965 27.450 4.262 1.00 0.00 N ATOM 0 H HIS A 100 118.116 28.461 10.315 1.00 0.00 H new ATOM 0 HA HIS A 100 116.467 28.170 8.107 1.00 0.00 H new ATOM 0 HB2 HIS A 100 118.821 29.107 8.222 1.00 0.00 H new ATOM 0 HB3 HIS A 100 119.427 27.467 8.340 1.00 0.00 H new ATOM 0 HD1 HIS A 100 117.190 29.498 5.957 1.00 0.00 H new ATOM 0 HD2 HIS A 100 120.030 26.398 5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 100 117.589 28.901 3.508 1.00 0.00 H new ATOM 1503 N ASP A 101 117.706 25.315 9.177 1.00 0.00 N ATOM 1504 CA ASP A 101 117.552 23.870 9.068 1.00 0.00 C ATOM 1505 C ASP A 101 116.101 23.477 9.330 1.00 0.00 C ATOM 1506 O ASP A 101 115.428 24.091 10.158 1.00 0.00 O ATOM 1507 CB ASP A 101 118.464 23.168 10.076 1.00 0.00 C ATOM 1508 CG ASP A 101 118.457 21.665 9.825 1.00 0.00 C ATOM 1509 OD1 ASP A 101 117.624 20.991 10.406 1.00 0.00 O ATOM 1510 OD2 ASP A 101 119.286 21.210 9.052 1.00 0.00 O ATOM 0 H ASP A 101 118.307 25.623 9.942 1.00 0.00 H new ATOM 0 HA ASP A 101 117.829 23.563 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 101 119.480 23.555 9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 101 118.127 23.377 11.091 1.00 0.00 H new ATOM 1515 N THR A 102 115.619 22.454 8.626 1.00 0.00 N ATOM 1516 CA THR A 102 114.223 22.042 8.750 1.00 0.00 C ATOM 1517 C THR A 102 114.123 20.643 9.349 1.00 0.00 C ATOM 1518 O THR A 102 114.861 19.736 8.962 1.00 0.00 O ATOM 1519 CB THR A 102 113.557 22.056 7.373 1.00 0.00 C ATOM 1520 OG1 THR A 102 113.745 23.327 6.771 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.058 21.778 7.521 1.00 0.00 C ATOM 0 H THR A 102 116.169 21.900 7.970 1.00 0.00 H new ATOM 0 HA THR A 102 113.714 22.742 9.413 1.00 0.00 H new ATOM 0 HB THR A 102 114.006 21.285 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 102 113.320 23.337 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 102 111.587 21.789 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 102 111.913 20.801 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 102 111.606 22.546 8.148 1.00 0.00 H new ATOM 1529 N SER A 103 113.204 20.478 10.295 1.00 0.00 N ATOM 1530 CA SER A 103 112.994 19.178 10.923 1.00 0.00 C ATOM 1531 C SER A 103 111.515 18.956 11.221 1.00 0.00 C ATOM 1532 O SER A 103 110.838 19.838 11.752 1.00 0.00 O ATOM 1533 CB SER A 103 113.797 19.091 12.221 1.00 0.00 C ATOM 1534 OG SER A 103 113.677 17.780 12.757 1.00 0.00 O ATOM 0 H SER A 103 112.597 21.221 10.641 1.00 0.00 H new ATOM 0 HA SER A 103 113.332 18.404 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 103 114.845 19.325 12.031 1.00 0.00 H new ATOM 0 HB3 SER A 103 113.432 19.825 12.939 1.00 0.00 H new ATOM 0 HG SER A 103 114.192 17.718 13.589 1.00 0.00 H new ATOM 1540 N ASP A 104 111.021 17.773 10.876 1.00 0.00 N ATOM 1541 CA ASP A 104 109.633 17.418 11.144 1.00 0.00 C ATOM 1542 C ASP A 104 109.456 15.908 11.040 1.00 0.00 C ATOM 1543 O ASP A 104 110.282 15.229 10.432 1.00 0.00 O ATOM 1544 CB ASP A 104 108.702 18.127 10.152 1.00 0.00 C ATOM 1545 CG ASP A 104 108.982 17.674 8.719 1.00 0.00 C ATOM 1546 OD1 ASP A 104 110.107 17.299 8.435 1.00 0.00 O ATOM 1547 OD2 ASP A 104 108.058 17.711 7.922 1.00 0.00 O ATOM 0 H ASP A 104 111.561 17.044 10.410 1.00 0.00 H new ATOM 0 HA ASP A 104 109.375 17.738 12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.664 17.916 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.836 19.206 10.229 1.00 0.00 H new ATOM 1552 N TYR A 105 108.377 15.386 11.621 1.00 0.00 N ATOM 1553 CA TYR A 105 108.143 13.944 11.613 1.00 0.00 C ATOM 1554 C TYR A 105 106.670 13.615 11.368 1.00 0.00 C ATOM 1555 O TYR A 105 105.790 14.449 11.581 1.00 0.00 O ATOM 1556 CB TYR A 105 108.603 13.341 12.944 1.00 0.00 C ATOM 1557 CG TYR A 105 107.761 13.751 14.131 1.00 0.00 C ATOM 1558 CD1 TYR A 105 108.033 14.951 14.799 1.00 0.00 C ATOM 1559 CD2 TYR A 105 106.709 12.933 14.562 1.00 0.00 C ATOM 1560 CE1 TYR A 105 107.254 15.333 15.898 1.00 0.00 C ATOM 1561 CE2 TYR A 105 105.930 13.315 15.661 1.00 0.00 C ATOM 1562 CZ TYR A 105 106.203 14.515 16.331 1.00 0.00 C ATOM 1563 OH TYR A 105 105.436 14.892 17.412 1.00 0.00 O ATOM 0 H TYR A 105 107.659 15.932 12.097 1.00 0.00 H new ATOM 0 HA TYR A 105 108.719 13.511 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.591 12.254 12.862 1.00 0.00 H new ATOM 0 HB3 TYR A 105 109.637 13.635 13.126 1.00 0.00 H new ATOM 0 HD1 TYR A 105 108.844 15.582 14.467 1.00 0.00 H new ATOM 0 HD2 TYR A 105 106.499 12.008 14.047 1.00 0.00 H new ATOM 0 HE1 TYR A 105 107.464 16.259 16.412 1.00 0.00 H new ATOM 0 HE2 TYR A 105 105.118 12.684 15.992 1.00 0.00 H new ATOM 0 HH TYR A 105 104.750 14.213 17.579 1.00 0.00 H new ATOM 1573 N GLY A 106 106.421 12.388 10.916 1.00 0.00 N ATOM 1574 CA GLY A 106 105.062 11.931 10.650 1.00 0.00 C ATOM 1575 C GLY A 106 104.917 10.470 11.060 1.00 0.00 C ATOM 1576 O GLY A 106 105.917 9.791 11.286 1.00 0.00 O ATOM 0 H GLY A 106 107.144 11.693 10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.348 12.545 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 106 104.831 12.045 9.591 1.00 0.00 H new ATOM 1580 N PHE A 107 103.683 9.985 11.129 1.00 0.00 N ATOM 1581 CA PHE A 107 103.443 8.599 11.519 1.00 0.00 C ATOM 1582 C PHE A 107 103.115 7.762 10.290 1.00 0.00 C ATOM 1583 O PHE A 107 102.202 8.094 9.533 1.00 0.00 O ATOM 1584 CB PHE A 107 102.285 8.530 12.514 1.00 0.00 C ATOM 1585 CG PHE A 107 102.562 9.252 13.811 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.250 8.600 14.840 1.00 0.00 C ATOM 1587 CD2 PHE A 107 102.135 10.573 13.981 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.510 9.270 16.042 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.393 11.244 15.181 1.00 0.00 C ATOM 1590 CZ PHE A 107 103.081 10.592 16.213 1.00 0.00 C ATOM 0 H PHE A 107 102.841 10.523 10.923 1.00 0.00 H new ATOM 0 HA PHE A 107 104.343 8.204 11.990 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.394 8.957 12.053 1.00 0.00 H new ATOM 0 HB3 PHE A 107 102.063 7.485 12.729 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.580 7.580 14.707 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.606 11.075 13.185 1.00 0.00 H new ATOM 0 HE1 PHE A 107 104.041 8.767 16.837 1.00 0.00 H new ATOM 0 HE2 PHE A 107 102.062 12.264 15.312 1.00 0.00 H new ATOM 0 HZ PHE A 107 103.280 11.109 17.140 1.00 0.00 H new ATOM 1600 N SER A 108 103.857 6.675 10.090 1.00 0.00 N ATOM 1601 CA SER A 108 103.628 5.812 8.931 1.00 0.00 C ATOM 1602 C SER A 108 103.080 4.458 9.369 1.00 0.00 C ATOM 1603 O SER A 108 103.441 3.949 10.428 1.00 0.00 O ATOM 1604 CB SER A 108 104.938 5.608 8.171 1.00 0.00 C ATOM 1605 OG SER A 108 105.826 4.838 8.969 1.00 0.00 O ATOM 0 H SER A 108 104.612 6.373 10.705 1.00 0.00 H new ATOM 0 HA SER A 108 102.897 6.294 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.748 5.101 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 108 105.388 6.572 7.932 1.00 0.00 H new ATOM 0 HG SER A 108 106.325 4.218 8.398 1.00 0.00 H new ATOM 1611 N TYR A 109 102.209 3.885 8.546 1.00 0.00 N ATOM 1612 CA TYR A 109 101.649 2.567 8.834 1.00 0.00 C ATOM 1613 C TYR A 109 101.500 1.782 7.538 1.00 0.00 C ATOM 1614 O TYR A 109 101.198 2.370 6.501 1.00 0.00 O ATOM 1615 CB TYR A 109 100.286 2.709 9.511 1.00 0.00 C ATOM 1616 CG TYR A 109 99.679 1.389 9.922 1.00 0.00 C ATOM 1617 CD1 TYR A 109 98.853 0.690 9.032 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.944 0.862 11.192 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.291 -0.535 9.413 1.00 0.00 C ATOM 1620 CE2 TYR A 109 99.382 -0.363 11.574 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.555 -1.062 10.685 1.00 0.00 C ATOM 1622 OH TYR A 109 98.002 -2.268 11.059 1.00 0.00 O ATOM 0 H TYR A 109 101.876 4.308 7.679 1.00 0.00 H new ATOM 0 HA TYR A 109 102.322 2.035 9.506 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.391 3.342 10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.603 3.219 8.832 1.00 0.00 H new ATOM 0 HD1 TYR A 109 98.650 1.096 8.052 1.00 0.00 H new ATOM 0 HD2 TYR A 109 100.582 1.400 11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 109 97.654 -1.074 8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 109 99.586 -0.769 12.554 1.00 0.00 H new ATOM 0 HH TYR A 109 98.286 -2.490 11.970 1.00 0.00 H new ATOM 1632 N GLY A 110 101.715 0.470 7.589 1.00 0.00 N ATOM 1633 CA GLY A 110 101.624 -0.339 6.377 1.00 0.00 C ATOM 1634 C GLY A 110 101.394 -1.810 6.692 1.00 0.00 C ATOM 1635 O GLY A 110 101.440 -2.222 7.849 1.00 0.00 O ATOM 0 H GLY A 110 101.949 -0.047 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 110 100.809 0.031 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.542 -0.231 5.799 1.00 0.00 H new ATOM 1639 N ALA A 111 101.163 -2.593 5.644 1.00 0.00 N ATOM 1640 CA ALA A 111 100.953 -4.027 5.808 1.00 0.00 C ATOM 1641 C ALA A 111 101.408 -4.778 4.562 1.00 0.00 C ATOM 1642 O ALA A 111 101.304 -4.267 3.448 1.00 0.00 O ATOM 1643 CB ALA A 111 99.474 -4.314 6.070 1.00 0.00 C ATOM 0 H ALA A 111 101.117 -2.263 4.680 1.00 0.00 H new ATOM 0 HA ALA A 111 101.542 -4.367 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.328 -5.387 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 111 99.159 -3.800 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.880 -3.959 5.228 1.00 0.00 H new ATOM 1649 N GLY A 112 101.878 -6.007 4.752 1.00 0.00 N ATOM 1650 CA GLY A 112 102.394 -6.791 3.632 1.00 0.00 C ATOM 1651 C GLY A 112 102.025 -8.267 3.745 1.00 0.00 C ATOM 1652 O GLY A 112 101.699 -8.753 4.831 1.00 0.00 O ATOM 0 H GLY A 112 101.913 -6.477 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 112 102.000 -6.390 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.479 -6.691 3.590 1.00 0.00 H new ATOM 1656 N LEU A 113 102.091 -8.964 2.611 1.00 0.00 N ATOM 1657 CA LEU A 113 101.777 -10.388 2.553 1.00 0.00 C ATOM 1658 C LEU A 113 103.043 -11.177 2.230 1.00 0.00 C ATOM 1659 O LEU A 113 103.933 -10.654 1.560 1.00 0.00 O ATOM 1660 CB LEU A 113 100.713 -10.658 1.487 1.00 0.00 C ATOM 1661 CG LEU A 113 99.404 -9.963 1.874 1.00 0.00 C ATOM 1662 CD1 LEU A 113 99.431 -8.510 1.391 1.00 0.00 C ATOM 1663 CD2 LEU A 113 98.223 -10.690 1.225 1.00 0.00 C ATOM 0 H LEU A 113 102.362 -8.560 1.714 1.00 0.00 H new ATOM 0 HA LEU A 113 101.388 -10.703 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 113 101.056 -10.295 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.550 -11.731 1.386 1.00 0.00 H new ATOM 0 HG LEU A 113 99.294 -9.985 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 113 98.499 -8.017 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 113 100.268 -7.988 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 113 99.545 -8.489 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 113 97.293 -10.193 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.335 -10.671 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 113 98.199 -11.724 1.569 1.00 0.00 H new ATOM 1675 N GLN A 114 103.125 -12.427 2.694 1.00 0.00 N ATOM 1676 CA GLN A 114 104.352 -13.207 2.521 1.00 0.00 C ATOM 1677 C GLN A 114 104.096 -14.505 1.760 1.00 0.00 C ATOM 1678 O GLN A 114 103.145 -15.232 2.048 1.00 0.00 O ATOM 1679 CB GLN A 114 104.946 -13.540 3.893 1.00 0.00 C ATOM 1680 CG GLN A 114 106.323 -14.189 3.715 1.00 0.00 C ATOM 1681 CD GLN A 114 106.969 -14.481 5.070 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.462 -14.071 6.116 1.00 0.00 O ATOM 1683 NE2 GLN A 114 108.073 -15.176 5.112 1.00 0.00 N ATOM 0 H GLN A 114 102.373 -12.912 3.183 1.00 0.00 H new ATOM 0 HA GLN A 114 105.049 -12.603 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.035 -12.633 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.282 -14.215 4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.222 -15.115 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 114 106.968 -13.529 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.495 -15.516 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.514 -15.379 6.009 1.00 0.00 H new ATOM 1692 N PHE A 115 104.954 -14.782 0.782 1.00 0.00 N ATOM 1693 CA PHE A 115 104.939 -16.063 0.090 1.00 0.00 C ATOM 1694 C PHE A 115 106.357 -16.606 0.130 1.00 0.00 C ATOM 1695 O PHE A 115 107.239 -16.054 -0.528 1.00 0.00 O ATOM 1696 CB PHE A 115 104.493 -15.878 -1.363 1.00 0.00 C ATOM 1697 CG PHE A 115 104.439 -17.166 -2.150 1.00 0.00 C ATOM 1698 CD1 PHE A 115 105.609 -17.686 -2.717 1.00 0.00 C ATOM 1699 CD2 PHE A 115 103.222 -17.836 -2.320 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.562 -18.876 -3.453 1.00 0.00 C ATOM 1701 CE2 PHE A 115 103.175 -19.027 -3.056 1.00 0.00 C ATOM 1702 CZ PHE A 115 104.343 -19.549 -3.620 1.00 0.00 C ATOM 0 H PHE A 115 105.669 -14.134 0.452 1.00 0.00 H new ATOM 0 HA PHE A 115 104.241 -16.751 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.507 -15.414 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.176 -15.188 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.548 -17.169 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 115 102.319 -17.435 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 115 106.464 -19.276 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 115 102.235 -19.543 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.307 -20.470 -4.184 1.00 0.00 H new ATOM 1712 N ASN A 116 106.591 -17.667 0.900 1.00 0.00 N ATOM 1713 CA ASN A 116 107.965 -18.061 1.202 1.00 0.00 C ATOM 1714 C ASN A 116 108.179 -19.575 1.199 1.00 0.00 C ATOM 1715 O ASN A 116 107.488 -20.303 1.911 1.00 0.00 O ATOM 1716 CB ASN A 116 108.321 -17.537 2.596 1.00 0.00 C ATOM 1717 CG ASN A 116 107.354 -18.103 3.633 1.00 0.00 C ATOM 1718 OD1 ASN A 116 107.737 -18.946 4.445 1.00 0.00 O ATOM 1719 ND2 ASN A 116 106.117 -17.688 3.655 1.00 0.00 N ATOM 0 H ASN A 116 105.869 -18.255 1.316 1.00 0.00 H new ATOM 0 HA ASN A 116 108.598 -17.640 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.343 -17.819 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.279 -16.448 2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 116 105.466 -18.062 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 116 105.801 -16.990 2.982 1.00 0.00 H new ATOM 1726 N PRO A 117 109.113 -20.064 0.419 1.00 0.00 N ATOM 1727 CA PRO A 117 109.775 -21.362 0.683 1.00 0.00 C ATOM 1728 C PRO A 117 111.111 -21.110 1.377 1.00 0.00 C ATOM 1729 O PRO A 117 111.499 -19.954 1.557 1.00 0.00 O ATOM 1730 CB PRO A 117 109.972 -21.964 -0.714 1.00 0.00 C ATOM 1731 CG PRO A 117 109.817 -20.839 -1.690 1.00 0.00 C ATOM 1732 CD PRO A 117 109.568 -19.560 -0.887 1.00 0.00 C ATOM 0 HA PRO A 117 109.205 -22.027 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 117 110.957 -22.422 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.238 -22.747 -0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.713 -20.738 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 117 108.986 -21.033 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.474 -18.961 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.815 -18.929 -1.359 1.00 0.00 H new ATOM 1740 N MET A 118 111.814 -22.168 1.765 1.00 0.00 N ATOM 1741 CA MET A 118 113.101 -22.009 2.442 1.00 0.00 C ATOM 1742 C MET A 118 114.054 -21.165 1.593 1.00 0.00 C ATOM 1743 O MET A 118 113.719 -20.788 0.471 1.00 0.00 O ATOM 1744 CB MET A 118 113.731 -23.383 2.694 1.00 0.00 C ATOM 1745 CG MET A 118 112.790 -24.258 3.530 1.00 0.00 C ATOM 1746 SD MET A 118 112.417 -23.460 5.114 1.00 0.00 S ATOM 1747 CE MET A 118 114.102 -23.448 5.774 1.00 0.00 C ATOM 0 H MET A 118 111.521 -23.135 1.626 1.00 0.00 H new ATOM 0 HA MET A 118 112.929 -21.504 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 118 113.944 -23.872 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 118 114.683 -23.264 3.212 1.00 0.00 H new ATOM 0 HG2 MET A 118 111.866 -24.437 2.980 1.00 0.00 H new ATOM 0 HG3 MET A 118 113.249 -25.231 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.071 -23.601 6.853 1.00 0.00 H new ATOM 0 HE2 MET A 118 114.680 -24.247 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 118 114.571 -22.488 5.557 1.00 0.00 H new ATOM 1757 N GLU A 119 115.217 -20.844 2.153 1.00 0.00 N ATOM 1758 CA GLU A 119 116.262 -20.124 1.425 1.00 0.00 C ATOM 1759 C GLU A 119 115.829 -18.700 1.050 1.00 0.00 C ATOM 1760 O GLU A 119 114.755 -18.237 1.434 1.00 0.00 O ATOM 1761 CB GLU A 119 116.655 -20.909 0.168 1.00 0.00 C ATOM 1762 CG GLU A 119 117.181 -22.290 0.577 1.00 0.00 C ATOM 1763 CD GLU A 119 117.675 -23.092 -0.633 1.00 0.00 C ATOM 1764 OE1 GLU A 119 117.437 -22.681 -1.760 1.00 0.00 O ATOM 1765 OE2 GLU A 119 118.294 -24.120 -0.410 1.00 0.00 O ATOM 0 H GLU A 119 115.462 -21.073 3.116 1.00 0.00 H new ATOM 0 HA GLU A 119 117.125 -20.035 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 119 115.794 -21.016 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.419 -20.367 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 119 117.995 -22.172 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 119 116.391 -22.845 1.083 1.00 0.00 H new ATOM 1772 N ASN A 120 116.691 -18.023 0.288 1.00 0.00 N ATOM 1773 CA ASN A 120 116.499 -16.622 -0.103 1.00 0.00 C ATOM 1774 C ASN A 120 115.254 -16.382 -0.968 1.00 0.00 C ATOM 1775 O ASN A 120 114.859 -15.238 -1.184 1.00 0.00 O ATOM 1776 CB ASN A 120 117.741 -16.132 -0.857 1.00 0.00 C ATOM 1777 CG ASN A 120 117.905 -16.882 -2.177 1.00 0.00 C ATOM 1778 OD1 ASN A 120 117.338 -17.960 -2.358 1.00 0.00 O ATOM 1779 ND2 ASN A 120 118.653 -16.370 -3.115 1.00 0.00 N ATOM 0 H ASN A 120 117.549 -18.434 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 120 116.347 -16.062 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.657 -15.062 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 120 118.627 -16.276 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 120 118.769 -16.863 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 120 119.122 -15.477 -2.963 1.00 0.00 H new ATOM 1786 N VAL A 121 114.635 -17.452 -1.455 1.00 0.00 N ATOM 1787 CA VAL A 121 113.644 -17.366 -2.523 1.00 0.00 C ATOM 1788 C VAL A 121 112.265 -16.902 -2.048 1.00 0.00 C ATOM 1789 O VAL A 121 111.283 -17.104 -2.763 1.00 0.00 O ATOM 1790 CB VAL A 121 113.513 -18.717 -3.236 1.00 0.00 C ATOM 1791 CG1 VAL A 121 114.839 -19.061 -3.916 1.00 0.00 C ATOM 1792 CG2 VAL A 121 113.170 -19.814 -2.225 1.00 0.00 C ATOM 0 H VAL A 121 114.805 -18.401 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 121 114.011 -16.605 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 121 112.718 -18.651 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 121 114.749 -20.021 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 121 115.086 -18.288 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 121 115.628 -19.120 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 121 113.079 -20.769 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 121 113.960 -19.880 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 121 112.226 -19.575 -1.735 1.00 0.00 H new ATOM 1802 N ALA A 122 112.173 -16.283 -0.866 1.00 0.00 N ATOM 1803 CA ALA A 122 110.865 -15.891 -0.334 1.00 0.00 C ATOM 1804 C ALA A 122 110.662 -14.384 -0.492 1.00 0.00 C ATOM 1805 O ALA A 122 111.602 -13.612 -0.328 1.00 0.00 O ATOM 1806 CB ALA A 122 110.790 -16.254 1.149 1.00 0.00 C ATOM 0 H ALA A 122 112.968 -16.047 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 122 110.086 -16.418 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 122 109.818 -15.963 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 122 110.923 -17.329 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.576 -15.729 1.692 1.00 0.00 H new ATOM 1812 N LEU A 123 109.434 -13.973 -0.817 1.00 0.00 N ATOM 1813 CA LEU A 123 109.168 -12.586 -1.204 1.00 0.00 C ATOM 1814 C LEU A 123 108.091 -11.972 -0.316 1.00 0.00 C ATOM 1815 O LEU A 123 107.191 -12.669 0.151 1.00 0.00 O ATOM 1816 CB LEU A 123 108.704 -12.542 -2.672 1.00 0.00 C ATOM 1817 CG LEU A 123 109.884 -12.453 -3.655 1.00 0.00 C ATOM 1818 CD1 LEU A 123 110.602 -11.111 -3.495 1.00 0.00 C ATOM 1819 CD2 LEU A 123 110.876 -13.600 -3.431 1.00 0.00 C ATOM 0 H LEU A 123 108.612 -14.577 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 123 110.087 -12.012 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 123 108.117 -13.434 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.047 -11.684 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 123 109.487 -12.534 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 123 111.436 -11.059 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.905 -10.299 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.978 -11.019 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.700 -13.512 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 123 111.265 -13.551 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.369 -14.554 -3.580 1.00 0.00 H new ATOM 1831 N ASP A 124 108.185 -10.664 -0.098 1.00 0.00 N ATOM 1832 CA ASP A 124 107.173 -9.951 0.673 1.00 0.00 C ATOM 1833 C ASP A 124 106.831 -8.627 -0.003 1.00 0.00 C ATOM 1834 O ASP A 124 107.722 -7.927 -0.483 1.00 0.00 O ATOM 1835 CB ASP A 124 107.690 -9.692 2.088 1.00 0.00 C ATOM 1836 CG ASP A 124 106.555 -9.183 2.968 1.00 0.00 C ATOM 1837 OD1 ASP A 124 105.803 -10.008 3.463 1.00 0.00 O ATOM 1838 OD2 ASP A 124 106.455 -7.979 3.135 1.00 0.00 O ATOM 0 H ASP A 124 108.947 -10.079 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 124 106.272 -10.563 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 124 108.104 -10.609 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.498 -8.961 2.062 1.00 0.00 H new ATOM 1843 N PHE A 125 105.539 -8.296 -0.052 1.00 0.00 N ATOM 1844 CA PHE A 125 105.099 -7.046 -0.673 1.00 0.00 C ATOM 1845 C PHE A 125 104.189 -6.281 0.283 1.00 0.00 C ATOM 1846 O PHE A 125 103.266 -6.862 0.849 1.00 0.00 O ATOM 1847 CB PHE A 125 104.344 -7.346 -1.970 1.00 0.00 C ATOM 1848 CG PHE A 125 105.190 -8.042 -3.010 1.00 0.00 C ATOM 1849 CD1 PHE A 125 105.993 -7.290 -3.877 1.00 0.00 C ATOM 1850 CD2 PHE A 125 105.170 -9.437 -3.109 1.00 0.00 C ATOM 1851 CE1 PHE A 125 106.777 -7.935 -4.840 1.00 0.00 C ATOM 1852 CE2 PHE A 125 105.954 -10.082 -4.073 1.00 0.00 C ATOM 1853 CZ PHE A 125 106.758 -9.332 -4.939 1.00 0.00 C ATOM 0 H PHE A 125 104.786 -8.870 0.327 1.00 0.00 H new ATOM 0 HA PHE A 125 105.975 -6.437 -0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.478 -7.967 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.966 -6.412 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 125 106.007 -6.213 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 125 104.550 -10.017 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 125 107.397 -7.355 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 125 105.938 -11.159 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 125 107.363 -9.830 -5.682 1.00 0.00 H new ATOM 1863 N SER A 126 104.447 -4.985 0.459 1.00 0.00 N ATOM 1864 CA SER A 126 103.677 -4.199 1.426 1.00 0.00 C ATOM 1865 C SER A 126 103.367 -2.805 0.895 1.00 0.00 C ATOM 1866 O SER A 126 104.089 -2.276 0.051 1.00 0.00 O ATOM 1867 CB SER A 126 104.448 -4.084 2.740 1.00 0.00 C ATOM 1868 OG SER A 126 103.642 -3.412 3.699 1.00 0.00 O ATOM 0 H SER A 126 105.167 -4.465 -0.043 1.00 0.00 H new ATOM 0 HA SER A 126 102.733 -4.717 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 126 104.718 -5.075 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 126 105.378 -3.538 2.583 1.00 0.00 H new ATOM 0 HG SER A 126 102.709 -3.413 3.400 1.00 0.00 H new ATOM 1874 N TYR A 127 102.281 -2.218 1.397 1.00 0.00 N ATOM 1875 CA TYR A 127 101.928 -0.842 1.064 1.00 0.00 C ATOM 1876 C TYR A 127 102.019 0.014 2.323 1.00 0.00 C ATOM 1877 O TYR A 127 101.638 -0.435 3.404 1.00 0.00 O ATOM 1878 CB TYR A 127 100.507 -0.783 0.503 1.00 0.00 C ATOM 1879 CG TYR A 127 100.311 -1.625 -0.736 1.00 0.00 C ATOM 1880 CD1 TYR A 127 100.657 -1.112 -1.992 1.00 0.00 C ATOM 1881 CD2 TYR A 127 99.785 -2.918 -0.627 1.00 0.00 C ATOM 1882 CE1 TYR A 127 100.477 -1.892 -3.140 1.00 0.00 C ATOM 1883 CE2 TYR A 127 99.605 -3.698 -1.775 1.00 0.00 C ATOM 1884 CZ TYR A 127 99.949 -3.184 -3.033 1.00 0.00 C ATOM 1885 OH TYR A 127 99.772 -3.954 -4.164 1.00 0.00 O ATOM 0 H TYR A 127 101.631 -2.676 2.036 1.00 0.00 H new ATOM 0 HA TYR A 127 102.618 -0.465 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 127 99.808 -1.114 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.259 0.253 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 127 101.063 -0.115 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.518 -3.313 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 127 100.746 -1.497 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 127 99.201 -4.696 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 127 99.397 -4.824 -3.912 1.00 0.00 H new ATOM 1895 N GLU A 128 102.538 1.233 2.178 1.00 0.00 N ATOM 1896 CA GLU A 128 102.756 2.113 3.322 1.00 0.00 C ATOM 1897 C GLU A 128 102.097 3.466 3.086 1.00 0.00 C ATOM 1898 O GLU A 128 102.126 3.995 1.974 1.00 0.00 O ATOM 1899 CB GLU A 128 104.259 2.298 3.537 1.00 0.00 C ATOM 1900 CG GLU A 128 104.516 3.042 4.854 1.00 0.00 C ATOM 1901 CD GLU A 128 106.009 3.323 5.066 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.812 2.990 4.205 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.334 3.870 6.106 1.00 0.00 O ATOM 0 H GLU A 128 102.814 1.632 1.281 1.00 0.00 H new ATOM 0 HA GLU A 128 102.311 1.662 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.754 1.327 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.687 2.857 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 128 103.965 3.983 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.135 2.450 5.686 1.00 0.00 H new ATOM 1910 N GLN A 129 101.500 4.024 4.137 1.00 0.00 N ATOM 1911 CA GLN A 129 100.794 5.295 4.033 1.00 0.00 C ATOM 1912 C GLN A 129 101.336 6.312 5.030 1.00 0.00 C ATOM 1913 O GLN A 129 101.590 5.988 6.191 1.00 0.00 O ATOM 1914 CB GLN A 129 99.299 5.084 4.289 1.00 0.00 C ATOM 1915 CG GLN A 129 98.654 4.403 3.079 1.00 0.00 C ATOM 1916 CD GLN A 129 98.711 5.334 1.871 1.00 0.00 C ATOM 1917 OE1 GLN A 129 98.295 6.488 1.959 1.00 0.00 O ATOM 1918 NE2 GLN A 129 99.212 4.903 0.747 1.00 0.00 N ATOM 0 H GLN A 129 101.492 3.614 5.071 1.00 0.00 H new ATOM 0 HA GLN A 129 100.948 5.681 3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 129 99.157 4.473 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.815 6.042 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 129 99.172 3.470 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 129 97.619 4.146 3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.557 3.946 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 129 99.259 5.523 -0.061 1.00 0.00 H new ATOM 1927 N SER A 130 101.519 7.533 4.540 1.00 0.00 N ATOM 1928 CA SER A 130 101.876 8.667 5.378 1.00 0.00 C ATOM 1929 C SER A 130 100.668 9.587 5.457 1.00 0.00 C ATOM 1930 O SER A 130 100.017 9.821 4.430 1.00 0.00 O ATOM 1931 CB SER A 130 103.069 9.432 4.805 1.00 0.00 C ATOM 1932 OG SER A 130 104.053 8.504 4.367 1.00 0.00 O ATOM 0 H SER A 130 101.424 7.762 3.551 1.00 0.00 H new ATOM 0 HA SER A 130 102.161 8.309 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 130 102.748 10.060 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.488 10.095 5.562 1.00 0.00 H new ATOM 0 HG SER A 130 104.819 8.990 3.997 1.00 0.00 H new ATOM 1938 N ARG A 131 100.470 10.217 6.611 1.00 0.00 N ATOM 1939 CA ARG A 131 99.171 10.776 6.972 1.00 0.00 C ATOM 1940 C ARG A 131 99.080 12.203 6.463 1.00 0.00 C ATOM 1941 O ARG A 131 100.074 12.932 6.428 1.00 0.00 O ATOM 1942 CB ARG A 131 98.986 10.751 8.490 1.00 0.00 C ATOM 1943 CG ARG A 131 98.987 9.302 8.982 1.00 0.00 C ATOM 1944 CD ARG A 131 98.699 9.270 10.484 1.00 0.00 C ATOM 1945 NE ARG A 131 98.889 7.915 11.008 1.00 0.00 N ATOM 1946 CZ ARG A 131 97.935 6.972 10.985 1.00 0.00 C ATOM 1947 NH1 ARG A 131 96.742 7.194 10.487 1.00 0.00 N ATOM 1948 NH2 ARG A 131 98.201 5.791 11.474 1.00 0.00 N ATOM 0 H ARG A 131 101.196 10.354 7.315 1.00 0.00 H new ATOM 0 HA ARG A 131 98.383 10.175 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 131 99.787 11.311 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.049 11.237 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.235 8.724 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.952 8.838 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 131 99.360 9.964 11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.678 9.601 10.673 1.00 0.00 H new ATOM 0 HE ARG A 131 99.795 7.676 11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.513 8.109 10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 131 96.043 6.451 10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 131 99.123 5.597 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 131 97.487 5.062 11.464 1.00 0.00 H new ATOM 1962 N ILE A 132 97.873 12.594 6.069 1.00 0.00 N ATOM 1963 CA ILE A 132 97.716 13.480 4.925 1.00 0.00 C ATOM 1964 C ILE A 132 97.777 14.972 5.259 1.00 0.00 C ATOM 1965 O ILE A 132 96.861 15.573 5.819 1.00 0.00 O ATOM 1966 CB ILE A 132 96.396 13.177 4.193 1.00 0.00 C ATOM 1967 CG1 ILE A 132 95.201 13.130 5.159 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.511 11.824 3.491 1.00 0.00 C ATOM 1969 CD1 ILE A 132 93.905 13.031 4.354 1.00 0.00 C ATOM 0 H ILE A 132 97.001 12.315 6.519 1.00 0.00 H new ATOM 0 HA ILE A 132 98.574 13.275 4.285 1.00 0.00 H new ATOM 0 HB ILE A 132 96.223 13.978 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 132 95.293 12.275 5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 132 95.188 14.023 5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.579 11.604 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 132 97.329 11.856 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.707 11.046 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 132 93.055 12.997 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.814 13.900 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 132 93.921 12.125 3.749 1.00 0.00 H new ATOM 1981 N ARG A 133 98.923 15.532 4.894 1.00 0.00 N ATOM 1982 CA ARG A 133 99.091 16.957 4.648 1.00 0.00 C ATOM 1983 C ARG A 133 98.787 17.191 3.159 1.00 0.00 C ATOM 1984 O ARG A 133 98.388 16.257 2.451 1.00 0.00 O ATOM 1985 CB ARG A 133 100.532 17.370 4.988 1.00 0.00 C ATOM 1986 CG ARG A 133 100.568 18.774 5.602 1.00 0.00 C ATOM 1987 CD ARG A 133 102.000 19.111 6.019 1.00 0.00 C ATOM 1988 NE ARG A 133 102.841 19.298 4.832 1.00 0.00 N ATOM 1989 CZ ARG A 133 102.699 20.324 3.979 1.00 0.00 C ATOM 1990 NH1 ARG A 133 101.787 21.252 4.147 1.00 0.00 N ATOM 1991 NH2 ARG A 133 103.496 20.401 2.949 1.00 0.00 N ATOM 0 H ARG A 133 99.780 14.996 4.758 1.00 0.00 H new ATOM 0 HA ARG A 133 98.422 17.555 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.965 16.653 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 133 101.144 17.347 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 133 100.206 19.507 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.905 18.822 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 133 102.007 20.017 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 133 102.405 18.310 6.638 1.00 0.00 H new ATOM 0 HE ARG A 133 103.572 18.612 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 133 101.156 21.208 4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 133 101.709 22.017 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 133 104.211 19.689 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 133 103.404 21.173 2.289 1.00 0.00 H new ATOM 2005 N SER A 134 98.933 18.421 2.670 1.00 0.00 N ATOM 2006 CA SER A 134 98.549 18.722 1.286 1.00 0.00 C ATOM 2007 C SER A 134 99.188 17.748 0.279 1.00 0.00 C ATOM 2008 O SER A 134 98.748 17.678 -0.867 1.00 0.00 O ATOM 2009 CB SER A 134 98.967 20.151 0.934 1.00 0.00 C ATOM 2010 OG SER A 134 98.489 20.471 -0.366 1.00 0.00 O ATOM 0 H SER A 134 99.306 19.212 3.195 1.00 0.00 H new ATOM 0 HA SER A 134 97.467 18.612 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.564 20.851 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 134 100.052 20.244 0.969 1.00 0.00 H new ATOM 0 HG SER A 134 98.753 21.386 -0.595 1.00 0.00 H new ATOM 2016 N VAL A 135 100.217 16.996 0.691 1.00 0.00 N ATOM 2017 CA VAL A 135 100.718 15.879 -0.112 1.00 0.00 C ATOM 2018 C VAL A 135 100.521 14.561 0.650 1.00 0.00 C ATOM 2019 O VAL A 135 100.938 14.433 1.800 1.00 0.00 O ATOM 2020 CB VAL A 135 102.205 16.078 -0.428 1.00 0.00 C ATOM 2021 CG1 VAL A 135 102.695 14.954 -1.343 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.408 17.420 -1.137 1.00 0.00 C ATOM 0 H VAL A 135 100.714 17.141 1.570 1.00 0.00 H new ATOM 0 HA VAL A 135 100.161 15.841 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 135 102.769 16.065 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 135 103.752 15.100 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.558 13.994 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.125 14.966 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.466 17.557 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 135 101.837 17.431 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.065 18.228 -0.491 1.00 0.00 H new ATOM 2032 N ASP A 136 99.884 13.591 -0.002 1.00 0.00 N ATOM 2033 CA ASP A 136 99.646 12.275 0.592 1.00 0.00 C ATOM 2034 C ASP A 136 100.613 11.251 0.004 1.00 0.00 C ATOM 2035 O ASP A 136 100.862 11.270 -1.203 1.00 0.00 O ATOM 2036 CB ASP A 136 98.201 11.833 0.330 1.00 0.00 C ATOM 2037 CG ASP A 136 97.921 10.462 0.947 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.610 10.086 1.883 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.013 9.800 0.469 1.00 0.00 O ATOM 0 H ASP A 136 99.520 13.692 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 136 99.809 12.342 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.512 12.569 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.019 11.795 -0.744 1.00 0.00 H new ATOM 2044 N VAL A 137 101.156 10.354 0.835 1.00 0.00 N ATOM 2045 CA VAL A 137 102.209 9.445 0.357 1.00 0.00 C ATOM 2046 C VAL A 137 101.676 8.026 0.173 1.00 0.00 C ATOM 2047 O VAL A 137 101.022 7.477 1.060 1.00 0.00 O ATOM 2048 CB VAL A 137 103.388 9.403 1.336 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.544 8.620 0.711 1.00 0.00 C ATOM 2050 CG2 VAL A 137 103.872 10.821 1.663 1.00 0.00 C ATOM 0 H VAL A 137 100.895 10.237 1.814 1.00 0.00 H new ATOM 0 HA VAL A 137 102.547 9.831 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 137 103.055 8.918 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.382 8.590 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.218 7.603 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 137 104.857 9.108 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.709 10.768 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.193 11.316 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.058 11.388 2.116 1.00 0.00 H new ATOM 2060 N GLY A 138 101.967 7.445 -0.987 1.00 0.00 N ATOM 2061 CA GLY A 138 101.671 6.037 -1.235 1.00 0.00 C ATOM 2062 C GLY A 138 102.947 5.327 -1.669 1.00 0.00 C ATOM 2063 O GLY A 138 103.535 5.694 -2.684 1.00 0.00 O ATOM 0 H GLY A 138 102.408 7.927 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.271 5.573 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 138 100.908 5.944 -2.008 1.00 0.00 H new ATOM 2067 N THR A 139 103.390 4.336 -0.895 1.00 0.00 N ATOM 2068 CA THR A 139 104.657 3.664 -1.182 1.00 0.00 C ATOM 2069 C THR A 139 104.462 2.157 -1.278 1.00 0.00 C ATOM 2070 O THR A 139 103.786 1.558 -0.445 1.00 0.00 O ATOM 2071 CB THR A 139 105.670 3.976 -0.079 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.767 5.384 0.088 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.039 3.411 -0.464 1.00 0.00 C ATOM 0 H THR A 139 102.897 3.984 -0.074 1.00 0.00 H new ATOM 0 HA THR A 139 105.029 4.030 -2.139 1.00 0.00 H new ATOM 0 HB THR A 139 105.342 3.520 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.492 5.731 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.759 3.634 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.964 2.331 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.370 3.865 -1.398 1.00 0.00 H new ATOM 2081 N TRP A 140 105.046 1.548 -2.308 1.00 0.00 N ATOM 2082 CA TRP A 140 104.992 0.096 -2.465 1.00 0.00 C ATOM 2083 C TRP A 140 106.400 -0.475 -2.357 1.00 0.00 C ATOM 2084 O TRP A 140 107.322 0.058 -2.972 1.00 0.00 O ATOM 2085 CB TRP A 140 104.393 -0.264 -3.826 1.00 0.00 C ATOM 2086 CG TRP A 140 104.272 -1.739 -4.049 1.00 0.00 C ATOM 2087 CD1 TRP A 140 103.539 -2.580 -3.284 1.00 0.00 C ATOM 2088 CD2 TRP A 140 104.883 -2.556 -5.089 1.00 0.00 C ATOM 2089 NE1 TRP A 140 103.663 -3.862 -3.786 1.00 0.00 N ATOM 2090 CE2 TRP A 140 104.480 -3.900 -4.898 1.00 0.00 C ATOM 2091 CE3 TRP A 140 105.738 -2.267 -6.166 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 104.913 -4.921 -5.749 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 106.175 -3.289 -7.021 1.00 0.00 C ATOM 2094 CH2 TRP A 140 105.764 -4.612 -6.816 1.00 0.00 C ATOM 0 H TRP A 140 105.560 2.034 -3.043 1.00 0.00 H new ATOM 0 HA TRP A 140 104.364 -0.327 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 140 103.407 0.192 -3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 140 105.013 0.166 -4.613 1.00 0.00 H new ATOM 0 HD1 TRP A 140 102.953 -2.296 -2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 140 103.206 -4.680 -3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 140 106.061 -1.251 -6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 104.594 -5.939 -5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 106.834 -3.054 -7.844 1.00 0.00 H new ATOM 0 HH2 TRP A 140 106.103 -5.393 -7.481 1.00 0.00 H new ATOM 2105 N ILE A 141 106.565 -1.538 -1.569 1.00 0.00 N ATOM 2106 CA ILE A 141 107.886 -2.131 -1.362 1.00 0.00 C ATOM 2107 C ILE A 141 107.894 -3.599 -1.775 1.00 0.00 C ATOM 2108 O ILE A 141 106.908 -4.311 -1.577 1.00 0.00 O ATOM 2109 CB ILE A 141 108.296 -1.995 0.115 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.321 -2.773 1.016 1.00 0.00 C ATOM 2111 CG2 ILE A 141 108.335 -0.510 0.530 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.880 -2.826 2.440 1.00 0.00 C ATOM 0 H ILE A 141 105.808 -2.002 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 141 108.604 -1.598 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 141 109.294 -2.416 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 141 106.343 -2.291 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 141 107.179 -3.783 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 141 108.627 -0.432 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.058 0.022 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.348 -0.068 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.191 -3.377 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 141 108.848 -3.327 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 141 107.999 -1.812 2.822 1.00 0.00 H new ATOM 2124 N ALA A 142 109.024 -4.043 -2.318 1.00 0.00 N ATOM 2125 CA ALA A 142 109.200 -5.446 -2.670 1.00 0.00 C ATOM 2126 C ALA A 142 110.584 -5.896 -2.223 1.00 0.00 C ATOM 2127 O ALA A 142 111.582 -5.269 -2.575 1.00 0.00 O ATOM 2128 CB ALA A 142 109.057 -5.633 -4.182 1.00 0.00 C ATOM 0 H ALA A 142 109.829 -3.452 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 142 108.437 -6.045 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.191 -6.685 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.065 -5.308 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.813 -5.039 -4.695 1.00 0.00 H new ATOM 2134 N GLY A 143 110.640 -6.966 -1.432 1.00 0.00 N ATOM 2135 CA GLY A 143 111.905 -7.409 -0.857 1.00 0.00 C ATOM 2136 C GLY A 143 112.058 -8.924 -0.926 1.00 0.00 C ATOM 2137 O GLY A 143 111.068 -9.659 -0.934 1.00 0.00 O ATOM 0 H GLY A 143 109.833 -7.536 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.731 -6.936 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.966 -7.084 0.182 1.00 0.00 H new ATOM 2141 N VAL A 144 113.310 -9.373 -0.962 1.00 0.00 N ATOM 2142 CA VAL A 144 113.618 -10.797 -0.997 1.00 0.00 C ATOM 2143 C VAL A 144 114.260 -11.175 0.331 1.00 0.00 C ATOM 2144 O VAL A 144 115.066 -10.411 0.863 1.00 0.00 O ATOM 2145 CB VAL A 144 114.580 -11.101 -2.151 1.00 0.00 C ATOM 2146 CG1 VAL A 144 114.850 -12.606 -2.214 1.00 0.00 C ATOM 2147 CG2 VAL A 144 113.965 -10.651 -3.478 1.00 0.00 C ATOM 0 H VAL A 144 114.130 -8.767 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 144 112.707 -11.374 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 144 115.513 -10.564 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.534 -12.819 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 144 115.296 -12.935 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.912 -13.137 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 144 114.656 -10.871 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 144 113.028 -11.182 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 144 113.773 -9.579 -3.445 1.00 0.00 H new ATOM 2157 N GLY A 145 113.905 -12.338 0.871 1.00 0.00 N ATOM 2158 CA GLY A 145 114.345 -12.702 2.215 1.00 0.00 C ATOM 2159 C GLY A 145 114.839 -14.139 2.310 1.00 0.00 C ATOM 2160 O GLY A 145 114.474 -14.997 1.499 1.00 0.00 O ATOM 0 H GLY A 145 113.323 -13.035 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.143 -12.028 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 145 113.519 -12.560 2.913 1.00 0.00 H new ATOM 2164 N TYR A 146 115.639 -14.370 3.351 1.00 0.00 N ATOM 2165 CA TYR A 146 116.251 -15.666 3.614 1.00 0.00 C ATOM 2166 C TYR A 146 115.939 -16.085 5.049 1.00 0.00 C ATOM 2167 O TYR A 146 115.745 -15.230 5.915 1.00 0.00 O ATOM 2168 CB TYR A 146 117.766 -15.559 3.432 1.00 0.00 C ATOM 2169 CG TYR A 146 118.498 -16.878 3.559 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.884 -17.347 4.820 1.00 0.00 C ATOM 2171 CD2 TYR A 146 118.800 -17.620 2.414 1.00 0.00 C ATOM 2172 CE1 TYR A 146 119.571 -18.562 4.934 1.00 0.00 C ATOM 2173 CE2 TYR A 146 119.484 -18.836 2.525 1.00 0.00 C ATOM 2174 CZ TYR A 146 119.870 -19.307 3.787 1.00 0.00 C ATOM 2175 OH TYR A 146 120.548 -20.504 3.898 1.00 0.00 O ATOM 0 H TYR A 146 115.880 -13.656 4.038 1.00 0.00 H new ATOM 0 HA TYR A 146 115.855 -16.408 2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.974 -15.133 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 146 118.162 -14.863 4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.652 -16.772 5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.505 -17.254 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 146 119.870 -18.924 5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 146 119.714 -19.410 1.640 1.00 0.00 H new ATOM 0 HH TYR A 146 120.673 -20.893 3.007 1.00 0.00 H new ATOM 2185 N ARG A 147 115.911 -17.392 5.297 1.00 0.00 N ATOM 2186 CA ARG A 147 115.544 -17.919 6.610 1.00 0.00 C ATOM 2187 C ARG A 147 116.707 -18.693 7.225 1.00 0.00 C ATOM 2188 O ARG A 147 117.409 -19.430 6.534 1.00 0.00 O ATOM 2189 CB ARG A 147 114.334 -18.845 6.454 1.00 0.00 C ATOM 2190 CG ARG A 147 113.867 -19.350 7.822 1.00 0.00 C ATOM 2191 CD ARG A 147 112.713 -20.334 7.627 1.00 0.00 C ATOM 2192 NE ARG A 147 112.186 -20.769 8.923 1.00 0.00 N ATOM 2193 CZ ARG A 147 111.363 -21.821 9.069 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.942 -22.528 8.048 1.00 0.00 N ATOM 2195 NH2 ARG A 147 110.967 -22.151 10.268 1.00 0.00 N ATOM 0 H ARG A 147 116.138 -18.107 4.606 1.00 0.00 H new ATOM 0 HA ARG A 147 115.297 -17.088 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 147 113.522 -18.312 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 147 114.595 -19.690 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 147 114.691 -19.836 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 147 113.546 -18.513 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.921 -19.864 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 147 113.056 -21.198 7.059 1.00 0.00 H new ATOM 0 HE ARG A 147 112.457 -20.247 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 147 111.239 -22.286 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 147 110.317 -23.320 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 147 111.282 -21.613 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 147 110.342 -22.947 10.398 1.00 0.00 H new ATOM 2209 N PHE A 148 116.899 -18.532 8.533 1.00 0.00 N ATOM 2210 CA PHE A 148 117.977 -19.229 9.226 1.00 0.00 C ATOM 2211 C PHE A 148 117.777 -19.165 10.736 1.00 0.00 C ATOM 2212 O PHE A 148 117.643 -18.067 11.251 1.00 0.00 O ATOM 2213 CB PHE A 148 119.325 -18.606 8.857 1.00 0.00 C ATOM 2214 CG PHE A 148 119.462 -17.165 9.283 1.00 0.00 C ATOM 2215 CD1 PHE A 148 118.970 -16.143 8.463 1.00 0.00 C ATOM 2216 CD2 PHE A 148 120.083 -16.849 10.499 1.00 0.00 C ATOM 2217 CE1 PHE A 148 119.099 -14.804 8.858 1.00 0.00 C ATOM 2218 CE2 PHE A 148 120.211 -15.513 10.893 1.00 0.00 C ATOM 2219 CZ PHE A 148 119.719 -14.490 10.073 1.00 0.00 C ATOM 2220 OXT PHE A 148 117.762 -20.216 11.356 1.00 0.00 O ATOM 0 H PHE A 148 116.328 -17.931 9.128 1.00 0.00 H new ATOM 0 HA PHE A 148 117.965 -20.274 8.917 1.00 0.00 H new ATOM 0 HB2 PHE A 148 120.123 -19.189 9.316 1.00 0.00 H new ATOM 0 HB3 PHE A 148 119.463 -18.672 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 148 118.491 -16.386 7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 148 120.463 -17.637 11.132 1.00 0.00 H new ATOM 0 HE1 PHE A 148 118.720 -14.015 8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 148 120.690 -15.270 11.830 1.00 0.00 H new ATOM 0 HZ PHE A 148 119.818 -13.459 10.378 1.00 0.00 H new TER 2230 PHE A 148