USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 760 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 71 SER OG : rot -22:sc= 0.359 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 TYR OH : rot -93:sc= 1.13 USER MOD Set 2.2: A 47 THR OG1 : rot -43:sc= 1.65 USER MOD Set 3.1: A 31 SER OG : rot 160:sc= -0.952 USER MOD Set 3.2: A 32 ASN : amide:sc= -5.94! C(o=-6.9!,f=-6.6!) USER MOD Set 4.1: A 28 SER OG : rot -49:sc= 1.22 USER MOD Set 4.2: A 72 ASN : amide:sc= -0.391 K(o=0.83,f=-4.8!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -9.37! C(o=-9.4!,f=-14!) USER MOD Single : A 8 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.33) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 11 SER OG : rot 180:sc= -0.492 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -0.302 (180deg=-1.25) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.336 USER MOD Single : A 26 SER OG : rot 22:sc= 0.522! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -5.89! K(o=-5.9!,f=-1.7) USER MOD Single : A 38 GLN : amide:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 90:sc= 0.086 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -7.17! C(o=-7.2!,f=-3.5!) USER MOD Single : A 54 GLN : amide:sc= -1.13! K(o=-1.1!,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.339 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 105:sc= 0.0238 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 38:sc= 0.133 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.448) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -19:sc= 0.14 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.55) USER MOD Single : A 93 SER OG : rot 170:sc= -0.846 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00402 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 98 ASN : amide:sc= -0.951 K(o=-0.95,f=-5!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 106 THR OG1 : rot -30:sc= 1.14 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.147) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 74.316 6.768 -12.841 1.00 0.00 N ATOM 38 CA MET A 3 75.387 5.850 -12.471 1.00 0.00 C ATOM 39 C MET A 3 76.127 6.385 -11.246 1.00 0.00 C ATOM 40 O MET A 3 76.007 7.564 -10.913 1.00 0.00 O ATOM 41 CB MET A 3 76.350 5.704 -13.657 1.00 0.00 C ATOM 42 CG MET A 3 76.027 4.477 -14.522 1.00 0.00 C ATOM 43 SD MET A 3 77.176 3.128 -14.141 1.00 0.00 S ATOM 44 CE MET A 3 78.138 3.168 -15.674 1.00 0.00 C ATOM 0 HA MET A 3 74.970 4.874 -12.223 1.00 0.00 H new ATOM 0 HB2 MET A 3 76.303 6.602 -14.273 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.372 5.625 -13.285 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.002 4.154 -14.341 1.00 0.00 H new ATOM 0 HG3 MET A 3 76.097 4.738 -15.578 1.00 0.00 H new ATOM 0 HE1 MET A 3 78.911 2.400 -15.639 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.479 2.981 -16.522 1.00 0.00 H new ATOM 0 HE3 MET A 3 78.604 4.147 -15.786 1.00 0.00 H new ATOM 54 N LEU A 4 76.991 5.560 -10.658 1.00 0.00 N ATOM 55 CA LEU A 4 77.797 5.967 -9.514 1.00 0.00 C ATOM 56 C LEU A 4 79.277 5.920 -9.873 1.00 0.00 C ATOM 57 O LEU A 4 79.736 5.016 -10.570 1.00 0.00 O ATOM 58 CB LEU A 4 77.533 5.000 -8.358 1.00 0.00 C ATOM 59 CG LEU A 4 76.068 5.126 -7.916 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.615 3.878 -7.145 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.867 6.392 -7.071 1.00 0.00 C ATOM 0 H LEU A 4 77.150 4.599 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 4 77.532 6.985 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.744 3.977 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.197 5.223 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 4 75.450 5.208 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.574 3.994 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.712 3.000 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.237 3.752 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.823 6.464 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.500 6.343 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.135 7.269 -7.660 1.00 0.00 H new ATOM 73 N THR A 5 80.018 6.907 -9.382 1.00 0.00 N ATOM 74 CA THR A 5 81.455 6.983 -9.626 1.00 0.00 C ATOM 75 C THR A 5 82.224 6.671 -8.347 1.00 0.00 C ATOM 76 O THR A 5 82.235 7.469 -7.410 1.00 0.00 O ATOM 77 CB THR A 5 81.822 8.383 -10.123 1.00 0.00 C ATOM 78 OG1 THR A 5 81.250 8.590 -11.406 1.00 0.00 O ATOM 79 CG2 THR A 5 83.342 8.521 -10.225 1.00 0.00 C ATOM 0 H THR A 5 79.647 7.667 -8.812 1.00 0.00 H new ATOM 0 HA THR A 5 81.723 6.249 -10.386 1.00 0.00 H new ATOM 0 HB THR A 5 81.440 9.123 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.482 9.487 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.594 9.521 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.789 8.361 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.728 7.780 -10.925 1.00 0.00 H new ATOM 87 N GLN A 6 82.938 5.550 -8.345 1.00 0.00 N ATOM 88 CA GLN A 6 83.690 5.124 -7.167 1.00 0.00 C ATOM 89 C GLN A 6 85.044 4.573 -7.609 1.00 0.00 C ATOM 90 O GLN A 6 85.156 4.024 -8.706 1.00 0.00 O ATOM 91 CB GLN A 6 82.906 4.069 -6.373 1.00 0.00 C ATOM 92 CG GLN A 6 81.521 3.876 -6.992 1.00 0.00 C ATOM 93 CD GLN A 6 80.754 2.792 -6.248 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.525 2.826 -6.247 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.396 2.021 -5.412 1.00 0.00 N ATOM 0 H GLN A 6 83.013 4.920 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 6 83.847 5.981 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.449 3.124 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 6 82.809 4.381 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.966 4.813 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.620 3.604 -8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.416 1.998 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 6 80.878 1.441 -4.752 1.00 0.00 H new ATOM 104 N PRO A 7 86.004 4.525 -6.725 1.00 0.00 N ATOM 105 CA PRO A 7 87.357 4.004 -7.064 1.00 0.00 C ATOM 106 C PRO A 7 87.266 2.605 -7.666 1.00 0.00 C ATOM 107 O PRO A 7 86.626 1.719 -7.100 1.00 0.00 O ATOM 108 CB PRO A 7 88.118 4.000 -5.730 1.00 0.00 C ATOM 109 CG PRO A 7 87.182 4.525 -4.686 1.00 0.00 C ATOM 110 CD PRO A 7 86.005 5.182 -5.409 1.00 0.00 C ATOM 0 HA PRO A 7 87.862 4.613 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.449 2.992 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.011 4.622 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.834 3.717 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.689 5.246 -4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.067 5.020 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.139 6.260 -5.498 1.00 0.00 H new ATOM 118 N HIS A 8 87.888 2.420 -8.824 1.00 0.00 N ATOM 119 CA HIS A 8 87.885 1.113 -9.469 1.00 0.00 C ATOM 120 C HIS A 8 88.758 0.134 -8.689 1.00 0.00 C ATOM 121 O HIS A 8 88.668 -1.078 -8.886 1.00 0.00 O ATOM 122 CB HIS A 8 88.378 1.239 -10.913 1.00 0.00 C ATOM 123 CG HIS A 8 87.911 0.057 -11.718 1.00 0.00 C ATOM 124 ND1 HIS A 8 86.575 -0.305 -11.784 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.587 -0.860 -12.487 1.00 0.00 C ATOM 126 CE1 HIS A 8 86.491 -1.410 -12.545 1.00 0.00 C ATOM 127 NE2 HIS A 8 87.685 -1.783 -13.012 1.00 0.00 N ATOM 0 H HIS A 8 88.394 3.147 -9.330 1.00 0.00 H new ATOM 0 HA HIS A 8 86.865 0.729 -9.481 1.00 0.00 H new ATOM 0 HB2 HIS A 8 88.003 2.162 -11.355 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.466 1.296 -10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 8 89.653 -0.864 -12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 8 85.569 -1.933 -12.753 1.00 0.00 H new ATOM 0 HE2 HIS A 8 87.892 -2.574 -13.622 1.00 0.00 H new ATOM 135 N SER A 9 89.729 0.674 -7.958 1.00 0.00 N ATOM 136 CA SER A 9 90.636 -0.163 -7.183 1.00 0.00 C ATOM 137 C SER A 9 91.488 0.696 -6.255 1.00 0.00 C ATOM 138 O SER A 9 91.690 1.885 -6.503 1.00 0.00 O ATOM 139 CB SER A 9 91.546 -0.960 -8.119 1.00 0.00 C ATOM 140 OG SER A 9 92.570 -1.588 -7.361 1.00 0.00 O ATOM 0 H SER A 9 89.906 1.676 -7.887 1.00 0.00 H new ATOM 0 HA SER A 9 90.041 -0.853 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 90.966 -1.709 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 91.985 -0.299 -8.867 1.00 0.00 H new ATOM 0 HG SER A 9 93.153 -2.100 -7.960 1.00 0.00 H new ATOM 146 N VAL A 10 91.905 0.108 -5.139 1.00 0.00 N ATOM 147 CA VAL A 10 92.694 0.828 -4.148 1.00 0.00 C ATOM 148 C VAL A 10 93.348 -0.167 -3.195 1.00 0.00 C ATOM 149 O VAL A 10 92.906 -1.309 -3.072 1.00 0.00 O ATOM 150 CB VAL A 10 91.808 1.819 -3.383 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.450 1.193 -3.024 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.538 2.298 -2.123 1.00 0.00 C ATOM 0 H VAL A 10 91.710 -0.864 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 10 93.477 1.396 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 10 91.610 2.676 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.846 1.921 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.932 0.899 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.608 0.315 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.906 3.002 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.759 1.443 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.469 2.790 -2.406 1.00 0.00 H new ATOM 162 N SER A 11 94.427 0.265 -2.550 1.00 0.00 N ATOM 163 CA SER A 11 95.176 -0.598 -1.642 1.00 0.00 C ATOM 164 C SER A 11 95.526 0.155 -0.363 1.00 0.00 C ATOM 165 O SER A 11 95.517 1.386 -0.333 1.00 0.00 O ATOM 166 CB SER A 11 96.459 -1.069 -2.328 1.00 0.00 C ATOM 167 OG SER A 11 96.142 -2.035 -3.319 1.00 0.00 O ATOM 0 H SER A 11 94.803 1.209 -2.639 1.00 0.00 H new ATOM 0 HA SER A 11 94.560 -1.460 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.972 -0.222 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.140 -1.497 -1.593 1.00 0.00 H new ATOM 0 HG SER A 11 96.965 -2.335 -3.759 1.00 0.00 H new ATOM 173 N GLU A 12 95.791 -0.596 0.701 1.00 0.00 N ATOM 174 CA GLU A 12 96.103 0.005 1.994 1.00 0.00 C ATOM 175 C GLU A 12 96.918 -0.962 2.846 1.00 0.00 C ATOM 176 O GLU A 12 96.762 -2.179 2.740 1.00 0.00 O ATOM 177 CB GLU A 12 94.813 0.366 2.735 1.00 0.00 C ATOM 178 CG GLU A 12 95.125 1.348 3.867 1.00 0.00 C ATOM 179 CD GLU A 12 95.256 2.764 3.316 1.00 0.00 C ATOM 180 OE1 GLU A 12 94.489 3.106 2.432 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.155 3.467 3.747 1.00 0.00 O ATOM 0 H GLU A 12 95.796 -1.616 0.695 1.00 0.00 H new ATOM 0 HA GLU A 12 96.686 0.909 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.097 0.809 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.350 -0.534 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.334 1.313 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 12 96.050 1.057 4.366 1.00 0.00 H new ATOM 188 N SER A 13 97.825 -0.421 3.651 1.00 0.00 N ATOM 189 CA SER A 13 98.679 -1.259 4.485 1.00 0.00 C ATOM 190 C SER A 13 97.908 -1.742 5.712 1.00 0.00 C ATOM 191 O SER A 13 97.161 -0.965 6.307 1.00 0.00 O ATOM 192 CB SER A 13 99.911 -0.464 4.922 1.00 0.00 C ATOM 193 OG SER A 13 100.812 -0.365 3.829 1.00 0.00 O ATOM 0 H SER A 13 97.987 0.582 3.744 1.00 0.00 H new ATOM 0 HA SER A 13 98.997 -2.127 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.617 0.530 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.396 -0.955 5.766 1.00 0.00 H new ATOM 0 HG SER A 13 101.603 0.145 4.102 1.00 0.00 H new ATOM 199 N PRO A 14 98.130 -2.945 6.175 1.00 0.00 N ATOM 200 CA PRO A 14 97.385 -3.473 7.352 1.00 0.00 C ATOM 201 C PRO A 14 97.574 -2.567 8.566 1.00 0.00 C ATOM 202 O PRO A 14 98.702 -2.321 8.992 1.00 0.00 O ATOM 203 CB PRO A 14 97.952 -4.880 7.594 1.00 0.00 C ATOM 204 CG PRO A 14 99.007 -5.126 6.560 1.00 0.00 C ATOM 205 CD PRO A 14 98.956 -3.986 5.539 1.00 0.00 C ATOM 0 HA PRO A 14 96.310 -3.508 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.373 -4.956 8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 14 97.163 -5.629 7.522 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.991 -5.174 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.840 -6.084 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.955 -3.614 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.518 -4.318 4.598 1.00 0.00 H new ATOM 213 N GLY A 15 96.467 -2.125 9.157 1.00 0.00 N ATOM 214 CA GLY A 15 96.511 -1.311 10.368 1.00 0.00 C ATOM 215 C GLY A 15 95.909 0.071 10.129 1.00 0.00 C ATOM 216 O GLY A 15 95.297 0.650 11.027 1.00 0.00 O ATOM 0 H GLY A 15 95.525 -2.318 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.966 -1.814 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.543 -1.208 10.702 1.00 0.00 H new ATOM 220 N LYS A 16 96.098 0.606 8.927 1.00 0.00 N ATOM 221 CA LYS A 16 95.562 1.917 8.585 1.00 0.00 C ATOM 222 C LYS A 16 94.090 1.789 8.214 1.00 0.00 C ATOM 223 O LYS A 16 93.635 0.722 7.802 1.00 0.00 O ATOM 224 CB LYS A 16 96.325 2.506 7.395 1.00 0.00 C ATOM 225 CG LYS A 16 97.835 2.455 7.642 1.00 0.00 C ATOM 226 CD LYS A 16 98.241 3.549 8.632 1.00 0.00 C ATOM 227 CE LYS A 16 99.766 3.599 8.732 1.00 0.00 C ATOM 228 NZ LYS A 16 100.350 3.803 7.377 1.00 0.00 N ATOM 0 H LYS A 16 96.617 0.152 8.175 1.00 0.00 H new ATOM 0 HA LYS A 16 95.672 2.575 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 16 96.081 1.951 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.013 3.537 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.115 1.477 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.370 2.587 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.855 4.514 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.807 3.348 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.070 4.408 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.143 2.672 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.191 4.410 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.620 2.883 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.647 4.258 6.761 1.00 0.00 H new ATOM 242 N THR A 17 93.362 2.894 8.323 1.00 0.00 N ATOM 243 CA THR A 17 91.946 2.891 7.976 1.00 0.00 C ATOM 244 C THR A 17 91.752 3.091 6.480 1.00 0.00 C ATOM 245 O THR A 17 92.666 3.499 5.765 1.00 0.00 O ATOM 246 CB THR A 17 91.194 3.996 8.725 1.00 0.00 C ATOM 247 OG1 THR A 17 91.887 5.225 8.559 1.00 0.00 O ATOM 248 CG2 THR A 17 91.105 3.678 10.221 1.00 0.00 C ATOM 0 H THR A 17 93.722 3.792 8.644 1.00 0.00 H new ATOM 0 HA THR A 17 91.545 1.920 8.267 1.00 0.00 H new ATOM 0 HB THR A 17 90.185 4.066 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.410 5.937 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.567 4.477 10.731 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.575 2.736 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.110 3.595 10.636 1.00 0.00 H new ATOM 256 N VAL A 18 90.553 2.757 6.018 1.00 0.00 N ATOM 257 CA VAL A 18 90.190 2.924 4.615 1.00 0.00 C ATOM 258 C VAL A 18 88.947 3.797 4.489 1.00 0.00 C ATOM 259 O VAL A 18 87.933 3.563 5.147 1.00 0.00 O ATOM 260 CB VAL A 18 89.973 1.547 3.983 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.181 1.664 2.680 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.327 0.898 3.681 1.00 0.00 C ATOM 0 H VAL A 18 89.811 2.366 6.599 1.00 0.00 H new ATOM 0 HA VAL A 18 90.998 3.427 4.084 1.00 0.00 H new ATOM 0 HB VAL A 18 89.410 0.935 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.040 0.672 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.209 2.113 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.729 2.290 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.168 -0.082 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.886 1.528 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.891 0.785 4.607 1.00 0.00 H new ATOM 272 N THR A 19 88.997 4.725 3.539 1.00 0.00 N ATOM 273 CA THR A 19 87.857 5.576 3.226 1.00 0.00 C ATOM 274 C THR A 19 87.406 5.327 1.790 1.00 0.00 C ATOM 275 O THR A 19 88.113 5.661 0.839 1.00 0.00 O ATOM 276 CB THR A 19 88.264 7.037 3.426 1.00 0.00 C ATOM 277 OG1 THR A 19 88.444 7.286 4.812 1.00 0.00 O ATOM 278 CG2 THR A 19 87.174 7.957 2.874 1.00 0.00 C ATOM 0 H THR A 19 89.823 4.907 2.969 1.00 0.00 H new ATOM 0 HA THR A 19 87.021 5.346 3.887 1.00 0.00 H new ATOM 0 HB THR A 19 89.196 7.232 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.707 8.221 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.468 8.997 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.038 7.763 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.238 7.768 3.400 1.00 0.00 H new ATOM 286 N ILE A 20 86.171 4.858 1.636 1.00 0.00 N ATOM 287 CA ILE A 20 85.599 4.627 0.313 1.00 0.00 C ATOM 288 C ILE A 20 84.548 5.686 0.001 1.00 0.00 C ATOM 289 O ILE A 20 83.547 5.807 0.707 1.00 0.00 O ATOM 290 CB ILE A 20 84.948 3.243 0.262 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.941 2.182 0.744 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.518 2.926 -1.171 1.00 0.00 C ATOM 293 CD1 ILE A 20 87.265 2.305 -0.013 1.00 0.00 C ATOM 0 H ILE A 20 85.547 4.631 2.410 1.00 0.00 H new ATOM 0 HA ILE A 20 86.398 4.684 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 20 84.073 3.238 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.115 2.297 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.521 1.187 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.055 1.940 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.801 3.674 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.391 2.938 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 20 87.959 1.543 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 20 87.089 2.166 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 20 87.692 3.293 0.159 1.00 0.00 H new ATOM 305 N SER A 21 84.755 6.416 -1.091 1.00 0.00 N ATOM 306 CA SER A 21 83.833 7.476 -1.486 1.00 0.00 C ATOM 307 C SER A 21 83.018 7.046 -2.704 1.00 0.00 C ATOM 308 O SER A 21 83.587 6.724 -3.746 1.00 0.00 O ATOM 309 CB SER A 21 84.626 8.747 -1.797 1.00 0.00 C ATOM 310 OG SER A 21 85.553 8.993 -0.749 1.00 0.00 O ATOM 0 H SER A 21 85.551 6.293 -1.717 1.00 0.00 H new ATOM 0 HA SER A 21 83.142 7.675 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.153 8.637 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 21 83.949 9.594 -1.905 1.00 0.00 H new ATOM 0 HG SER A 21 86.063 9.806 -0.948 1.00 0.00 H new ATOM 316 N CYS A 22 81.691 7.058 -2.578 1.00 0.00 N ATOM 317 CA CYS A 22 80.790 6.675 -3.667 1.00 0.00 C ATOM 318 C CYS A 22 80.011 7.929 -4.083 1.00 0.00 C ATOM 319 O CYS A 22 79.346 8.551 -3.254 1.00 0.00 O ATOM 320 CB CYS A 22 79.853 5.538 -3.203 1.00 0.00 C ATOM 321 SG CYS A 22 80.510 3.886 -3.597 1.00 0.00 S ATOM 0 H CYS A 22 81.211 7.333 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 22 81.344 6.294 -4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.698 5.616 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.878 5.660 -3.675 1.00 0.00 H new ATOM 326 N THR A 23 80.182 8.390 -5.324 1.00 0.00 N ATOM 327 CA THR A 23 79.517 9.602 -5.810 1.00 0.00 C ATOM 328 C THR A 23 78.451 9.253 -6.846 1.00 0.00 C ATOM 329 O THR A 23 78.656 8.370 -7.678 1.00 0.00 O ATOM 330 CB THR A 23 80.516 10.565 -6.461 1.00 0.00 C ATOM 331 OG1 THR A 23 81.506 10.937 -5.513 1.00 0.00 O ATOM 332 CG2 THR A 23 79.810 11.835 -6.956 1.00 0.00 C ATOM 0 H THR A 23 80.780 7.938 -6.016 1.00 0.00 H new ATOM 0 HA THR A 23 79.060 10.081 -4.944 1.00 0.00 H new ATOM 0 HB THR A 23 80.973 10.057 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.145 11.551 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.540 12.502 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.052 11.567 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.336 12.339 -6.114 1.00 0.00 H new ATOM 340 N GLY A 24 77.335 9.977 -6.827 1.00 0.00 N ATOM 341 CA GLY A 24 76.224 9.712 -7.737 1.00 0.00 C ATOM 342 C GLY A 24 76.021 10.862 -8.716 1.00 0.00 C ATOM 343 O GLY A 24 76.473 11.982 -8.479 1.00 0.00 O ATOM 0 H GLY A 24 77.176 10.756 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.415 8.792 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.311 9.555 -7.163 1.00 0.00 H new ATOM 347 N SER A 25 75.411 10.553 -9.856 1.00 0.00 N ATOM 348 CA SER A 25 75.159 11.557 -10.885 1.00 0.00 C ATOM 349 C SER A 25 73.725 12.067 -10.786 1.00 0.00 C ATOM 350 O SER A 25 73.489 13.212 -10.401 1.00 0.00 O ATOM 351 CB SER A 25 75.406 10.947 -12.269 1.00 0.00 C ATOM 352 OG SER A 25 74.451 11.442 -13.196 1.00 0.00 O ATOM 0 H SER A 25 75.082 9.616 -10.091 1.00 0.00 H new ATOM 0 HA SER A 25 75.837 12.397 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.413 11.189 -12.608 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.341 9.860 -12.213 1.00 0.00 H new ATOM 0 HG SER A 25 74.617 11.049 -14.078 1.00 0.00 H new ATOM 358 N SER A 26 72.774 11.236 -11.200 1.00 0.00 N ATOM 359 CA SER A 26 71.365 11.615 -11.178 1.00 0.00 C ATOM 360 C SER A 26 70.689 11.078 -9.921 1.00 0.00 C ATOM 361 O SER A 26 69.507 11.328 -9.687 1.00 0.00 O ATOM 362 CB SER A 26 70.673 11.041 -12.418 1.00 0.00 C ATOM 363 OG SER A 26 69.326 10.715 -12.108 1.00 0.00 O ATOM 0 H SER A 26 72.953 10.296 -11.555 1.00 0.00 H new ATOM 0 HA SER A 26 71.287 12.702 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.704 11.766 -13.231 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.202 10.153 -12.763 1.00 0.00 H new ATOM 0 HG SER A 26 69.038 11.227 -11.324 1.00 0.00 H new ATOM 369 N GLY A 27 71.442 10.331 -9.118 1.00 0.00 N ATOM 370 CA GLY A 27 70.918 9.759 -7.881 1.00 0.00 C ATOM 371 C GLY A 27 71.526 10.455 -6.669 1.00 0.00 C ATOM 372 O GLY A 27 72.712 10.293 -6.381 1.00 0.00 O ATOM 0 H GLY A 27 72.420 10.107 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.833 9.859 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 27 71.140 8.693 -7.844 1.00 0.00 H new ATOM 376 N SER A 28 70.691 11.167 -5.919 1.00 0.00 N ATOM 377 CA SER A 28 71.155 11.860 -4.722 1.00 0.00 C ATOM 378 C SER A 28 71.319 10.869 -3.573 1.00 0.00 C ATOM 379 O SER A 28 70.385 10.152 -3.214 1.00 0.00 O ATOM 380 CB SER A 28 70.173 12.979 -4.359 1.00 0.00 C ATOM 381 OG SER A 28 70.745 14.232 -4.703 1.00 0.00 O ATOM 0 H SER A 28 69.697 11.279 -6.117 1.00 0.00 H new ATOM 0 HA SER A 28 72.128 12.311 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 28 69.231 12.838 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 69.947 12.949 -3.293 1.00 0.00 H new ATOM 0 HG SER A 28 71.658 14.283 -4.350 1.00 0.00 H new ATOM 387 N ILE A 29 72.506 10.864 -2.975 1.00 0.00 N ATOM 388 CA ILE A 29 72.783 9.941 -1.881 1.00 0.00 C ATOM 389 C ILE A 29 72.086 10.399 -0.605 1.00 0.00 C ATOM 390 O ILE A 29 72.173 9.737 0.429 1.00 0.00 O ATOM 391 CB ILE A 29 74.291 9.842 -1.625 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.926 11.235 -1.552 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.961 9.052 -2.752 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.531 11.991 -0.280 1.00 0.00 C ATOM 0 H ILE A 29 73.281 11.479 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 29 72.403 8.960 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 29 74.438 9.333 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.011 11.139 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.625 11.815 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.032 8.986 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.538 8.049 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.791 9.558 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.007 12.972 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.448 12.113 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.856 11.427 0.594 1.00 0.00 H new ATOM 406 N ALA A 30 71.422 11.549 -0.669 1.00 0.00 N ATOM 407 CA ALA A 30 70.714 12.089 0.488 1.00 0.00 C ATOM 408 C ALA A 30 69.206 11.983 0.287 1.00 0.00 C ATOM 409 O ALA A 30 68.448 11.876 1.251 1.00 0.00 O ATOM 410 CB ALA A 30 71.098 13.556 0.690 1.00 0.00 C ATOM 0 H ALA A 30 71.359 12.125 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 30 70.995 11.511 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.567 13.955 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.172 13.631 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.828 14.128 -0.198 1.00 0.00 H new ATOM 416 N SER A 31 68.777 12.025 -0.971 1.00 0.00 N ATOM 417 CA SER A 31 67.356 11.926 -1.286 1.00 0.00 C ATOM 418 C SER A 31 66.885 10.477 -1.225 1.00 0.00 C ATOM 419 O SER A 31 65.688 10.200 -1.315 1.00 0.00 O ATOM 420 CB SER A 31 67.077 12.497 -2.677 1.00 0.00 C ATOM 421 OG SER A 31 67.684 11.672 -3.660 1.00 0.00 O ATOM 0 H SER A 31 69.387 12.126 -1.782 1.00 0.00 H new ATOM 0 HA SER A 31 66.807 12.505 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.002 12.554 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.466 13.513 -2.749 1.00 0.00 H new ATOM 0 HG SER A 31 67.259 11.831 -4.529 1.00 0.00 H new ATOM 427 N ASN A 32 67.833 9.553 -1.093 1.00 0.00 N ATOM 428 CA ASN A 32 67.520 8.128 -1.064 1.00 0.00 C ATOM 429 C ASN A 32 68.472 7.395 -0.123 1.00 0.00 C ATOM 430 O ASN A 32 69.507 7.935 0.268 1.00 0.00 O ATOM 431 CB ASN A 32 67.641 7.543 -2.474 1.00 0.00 C ATOM 432 CG ASN A 32 67.074 8.524 -3.495 1.00 0.00 C ATOM 433 OD1 ASN A 32 67.765 8.902 -4.441 1.00 0.00 O ATOM 434 ND2 ASN A 32 65.843 8.941 -3.375 1.00 0.00 N ATOM 0 H ASN A 32 68.826 9.767 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 32 66.499 8.001 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.686 7.332 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.105 6.596 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.452 9.581 -4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.272 8.626 -2.590 1.00 0.00 H new ATOM 441 N TYR A 33 68.107 6.174 0.254 1.00 0.00 N ATOM 442 CA TYR A 33 68.920 5.388 1.176 1.00 0.00 C ATOM 443 C TYR A 33 70.027 4.659 0.421 1.00 0.00 C ATOM 444 O TYR A 33 69.848 4.279 -0.736 1.00 0.00 O ATOM 445 CB TYR A 33 68.048 4.362 1.901 1.00 0.00 C ATOM 446 CG TYR A 33 66.924 5.072 2.617 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.195 5.825 3.766 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.611 4.970 2.141 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.155 6.481 4.434 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.571 5.628 2.807 1.00 0.00 C ATOM 451 CZ TYR A 33 64.843 6.383 3.955 1.00 0.00 C ATOM 452 OH TYR A 33 63.819 7.033 4.611 1.00 0.00 O ATOM 0 H TYR A 33 67.257 5.708 -0.063 1.00 0.00 H new ATOM 0 HA TYR A 33 69.367 6.067 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.643 3.644 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.649 3.798 2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.207 5.899 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.401 4.383 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.364 7.063 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.559 5.554 2.436 1.00 0.00 H new ATOM 0 HH TYR A 33 62.973 6.862 4.147 1.00 0.00 H new ATOM 462 N VAL A 34 71.178 4.487 1.066 1.00 0.00 N ATOM 463 CA VAL A 34 72.311 3.807 0.446 1.00 0.00 C ATOM 464 C VAL A 34 72.831 2.715 1.375 1.00 0.00 C ATOM 465 O VAL A 34 73.007 2.940 2.573 1.00 0.00 O ATOM 466 CB VAL A 34 73.420 4.820 0.145 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.701 4.091 -0.267 1.00 0.00 C ATOM 468 CG2 VAL A 34 72.972 5.730 -1.000 1.00 0.00 C ATOM 0 H VAL A 34 71.350 4.809 2.018 1.00 0.00 H new ATOM 0 HA VAL A 34 71.989 3.348 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 34 73.616 5.411 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.483 4.820 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.024 3.437 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.510 3.495 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.758 6.453 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.776 5.128 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.063 6.258 -0.711 1.00 0.00 H new ATOM 478 N GLN A 35 73.164 1.565 0.797 1.00 0.00 N ATOM 479 CA GLN A 35 73.698 0.445 1.565 1.00 0.00 C ATOM 480 C GLN A 35 75.033 0.004 0.976 1.00 0.00 C ATOM 481 O GLN A 35 75.315 0.250 -0.197 1.00 0.00 O ATOM 482 CB GLN A 35 72.708 -0.723 1.537 1.00 0.00 C ATOM 483 CG GLN A 35 71.263 -0.218 1.653 1.00 0.00 C ATOM 484 CD GLN A 35 70.606 -0.112 0.279 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.883 -1.018 -0.135 1.00 0.00 O ATOM 486 NE2 GLN A 35 70.862 0.921 -0.477 1.00 0.00 N ATOM 0 H GLN A 35 73.073 1.384 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 35 73.850 0.760 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.828 -1.285 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.925 -1.409 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.687 -0.895 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.253 0.757 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.462 1.670 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.462 0.979 -1.414 1.00 0.00 H new ATOM 495 N TRP A 36 75.868 -0.615 1.805 1.00 0.00 N ATOM 496 CA TRP A 36 77.188 -1.062 1.373 1.00 0.00 C ATOM 497 C TRP A 36 77.211 -2.579 1.220 1.00 0.00 C ATOM 498 O TRP A 36 76.399 -3.284 1.819 1.00 0.00 O ATOM 499 CB TRP A 36 78.245 -0.638 2.395 1.00 0.00 C ATOM 500 CG TRP A 36 78.390 0.851 2.370 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.539 1.726 2.953 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.402 1.656 1.695 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.983 3.012 2.713 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.125 3.024 1.938 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.521 1.339 0.906 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.936 4.040 1.423 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.336 2.353 0.386 1.00 0.00 C ATOM 508 CH2 TRP A 36 81.050 3.700 0.646 1.00 0.00 C ATOM 0 H TRP A 36 75.653 -0.819 2.781 1.00 0.00 H new ATOM 0 HA TRP A 36 77.410 -0.603 0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.956 -0.970 3.392 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.200 -1.111 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.655 1.462 3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.523 3.851 3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.755 0.305 0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.706 5.076 1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.192 2.094 -0.220 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.688 4.475 0.248 1.00 0.00 H new ATOM 519 N TYR A 37 78.115 -3.071 0.377 1.00 0.00 N ATOM 520 CA TYR A 37 78.209 -4.499 0.087 1.00 0.00 C ATOM 521 C TYR A 37 79.672 -4.899 -0.082 1.00 0.00 C ATOM 522 O TYR A 37 80.517 -4.078 -0.436 1.00 0.00 O ATOM 523 CB TYR A 37 77.407 -4.835 -1.178 1.00 0.00 C ATOM 524 CG TYR A 37 76.045 -5.384 -0.823 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.978 -4.510 -0.587 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.866 -6.765 -0.679 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.718 -5.022 -0.252 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.610 -7.275 -0.333 1.00 0.00 C ATOM 529 CZ TYR A 37 73.540 -6.403 -0.104 1.00 0.00 C ATOM 530 OH TYR A 37 72.300 -6.905 0.236 1.00 0.00 O ATOM 0 H TYR A 37 78.797 -2.498 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 37 77.788 -5.062 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.295 -3.940 -1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.953 -5.564 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.126 -3.443 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.697 -7.437 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.884 -4.352 -0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.466 -8.342 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 37 72.243 -7.005 1.209 1.00 0.00 H new ATOM 540 N GLN A 38 79.960 -6.171 0.175 1.00 0.00 N ATOM 541 CA GLN A 38 81.315 -6.695 0.038 1.00 0.00 C ATOM 542 C GLN A 38 81.267 -7.988 -0.766 1.00 0.00 C ATOM 543 O GLN A 38 80.508 -8.893 -0.422 1.00 0.00 O ATOM 544 CB GLN A 38 81.901 -6.950 1.435 1.00 0.00 C ATOM 545 CG GLN A 38 83.192 -6.157 1.649 1.00 0.00 C ATOM 546 CD GLN A 38 84.310 -6.763 0.809 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.117 -7.794 0.164 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.496 -6.221 0.842 1.00 0.00 N ATOM 0 H GLN A 38 79.272 -6.859 0.480 1.00 0.00 H new ATOM 0 HA GLN A 38 81.949 -5.977 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.170 -6.672 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.100 -8.014 1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.040 -5.114 1.372 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.468 -6.170 2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.652 -5.367 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.268 -6.651 0.332 1.00 0.00 H new ATOM 557 N GLN A 39 82.234 -8.163 -1.663 1.00 0.00 N ATOM 558 CA GLN A 39 82.316 -9.396 -2.441 1.00 0.00 C ATOM 559 C GLN A 39 83.600 -10.141 -2.095 1.00 0.00 C ATOM 560 O GLN A 39 84.672 -9.835 -2.617 1.00 0.00 O ATOM 561 CB GLN A 39 82.312 -9.056 -3.934 1.00 0.00 C ATOM 562 CG GLN A 39 80.896 -8.687 -4.383 1.00 0.00 C ATOM 563 CD GLN A 39 80.896 -8.328 -5.865 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.953 -8.276 -6.493 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.761 -8.128 -6.476 1.00 0.00 N ATOM 0 H GLN A 39 82.962 -7.478 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 39 81.459 -10.028 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.992 -8.226 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.675 -9.907 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 39 80.219 -9.522 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.527 -7.845 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.886 -8.172 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.749 -7.928 -7.476 1.00 0.00 H new ATOM 574 N ARG A 40 83.481 -11.121 -1.203 1.00 0.00 N ATOM 575 CA ARG A 40 84.620 -11.936 -0.790 1.00 0.00 C ATOM 576 C ARG A 40 84.615 -13.280 -1.517 1.00 0.00 C ATOM 577 O ARG A 40 83.577 -13.940 -1.558 1.00 0.00 O ATOM 578 CB ARG A 40 84.615 -12.125 0.732 1.00 0.00 C ATOM 579 CG ARG A 40 83.197 -11.949 1.280 1.00 0.00 C ATOM 580 CD ARG A 40 83.181 -12.266 2.778 1.00 0.00 C ATOM 581 NE ARG A 40 84.456 -11.898 3.386 1.00 0.00 N ATOM 582 CZ ARG A 40 85.270 -12.803 3.923 1.00 0.00 C ATOM 583 NH1 ARG A 40 85.446 -13.954 3.334 1.00 0.00 N ATOM 584 NH2 ARG A 40 85.895 -12.536 5.038 1.00 0.00 N ATOM 0 H ARG A 40 82.602 -11.371 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 40 85.539 -11.417 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.990 -13.117 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.285 -11.403 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 40 82.855 -10.928 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 40 82.508 -12.608 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 82.369 -11.724 3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 40 82.991 -13.328 2.930 1.00 0.00 H new ATOM 0 HE ARG A 40 84.732 -10.916 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 40 84.959 -14.160 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.070 -14.648 3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.759 -11.635 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.519 -13.229 5.451 1.00 0.00 H new ATOM 598 N PRO A 41 85.742 -13.778 -1.957 1.00 0.00 N ATOM 599 CA PRO A 41 85.791 -15.101 -2.641 1.00 0.00 C ATOM 600 C PRO A 41 85.249 -16.208 -1.742 1.00 0.00 C ATOM 601 O PRO A 41 85.421 -16.170 -0.524 1.00 0.00 O ATOM 602 CB PRO A 41 87.269 -15.331 -2.987 1.00 0.00 C ATOM 603 CG PRO A 41 88.040 -14.141 -2.506 1.00 0.00 C ATOM 604 CD PRO A 41 87.046 -13.094 -1.995 1.00 0.00 C ATOM 0 HA PRO A 41 85.167 -15.114 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.636 -16.241 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.395 -15.459 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.727 -14.431 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.643 -13.728 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.329 -12.733 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.016 -12.227 -2.654 1.00 0.00 H new ATOM 612 N GLY A 42 84.640 -17.219 -2.354 1.00 0.00 N ATOM 613 CA GLY A 42 84.137 -18.363 -1.603 1.00 0.00 C ATOM 614 C GLY A 42 82.797 -18.041 -0.950 1.00 0.00 C ATOM 615 O GLY A 42 82.051 -18.943 -0.570 1.00 0.00 O ATOM 0 H GLY A 42 84.484 -17.269 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.025 -19.219 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 84.860 -18.647 -0.838 1.00 0.00 H new ATOM 619 N SER A 43 82.435 -16.761 -0.948 1.00 0.00 N ATOM 620 CA SER A 43 81.170 -16.322 -0.368 1.00 0.00 C ATOM 621 C SER A 43 80.518 -15.268 -1.256 1.00 0.00 C ATOM 622 O SER A 43 81.206 -14.450 -1.868 1.00 0.00 O ATOM 623 CB SER A 43 81.413 -15.730 1.022 1.00 0.00 C ATOM 624 OG SER A 43 80.313 -14.906 1.380 1.00 0.00 O ATOM 0 H SER A 43 83.001 -16.009 -1.342 1.00 0.00 H new ATOM 0 HA SER A 43 80.507 -17.184 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 43 81.537 -16.529 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.335 -15.148 1.026 1.00 0.00 H new ATOM 0 HG SER A 43 80.465 -14.526 2.271 1.00 0.00 H new ATOM 630 N SER A 44 79.191 -15.286 -1.318 1.00 0.00 N ATOM 631 CA SER A 44 78.468 -14.342 -2.162 1.00 0.00 C ATOM 632 C SER A 44 78.543 -12.941 -1.559 1.00 0.00 C ATOM 633 O SER A 44 79.090 -12.767 -0.470 1.00 0.00 O ATOM 634 CB SER A 44 77.010 -14.796 -2.316 1.00 0.00 C ATOM 635 OG SER A 44 76.903 -16.156 -1.923 1.00 0.00 O ATOM 0 H SER A 44 78.600 -15.936 -0.800 1.00 0.00 H new ATOM 0 HA SER A 44 78.926 -14.313 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.356 -14.175 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.686 -14.677 -3.350 1.00 0.00 H new ATOM 0 HG SER A 44 76.706 -16.205 -0.964 1.00 0.00 H new ATOM 641 N PRO A 45 77.954 -11.961 -2.191 1.00 0.00 N ATOM 642 CA PRO A 45 77.931 -10.570 -1.659 1.00 0.00 C ATOM 643 C PRO A 45 77.001 -10.440 -0.456 1.00 0.00 C ATOM 644 O PRO A 45 75.852 -10.881 -0.506 1.00 0.00 O ATOM 645 CB PRO A 45 77.460 -9.708 -2.839 1.00 0.00 C ATOM 646 CG PRO A 45 77.310 -10.624 -4.013 1.00 0.00 C ATOM 647 CD PRO A 45 77.227 -12.051 -3.467 1.00 0.00 C ATOM 0 HA PRO A 45 78.909 -10.258 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.514 -9.219 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.182 -8.920 -3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.413 -10.377 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 45 78.156 -10.521 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.194 -12.368 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.688 -12.770 -4.144 1.00 0.00 H new ATOM 655 N THR A 46 77.443 -9.700 0.558 1.00 0.00 N ATOM 656 CA THR A 46 76.629 -9.447 1.743 1.00 0.00 C ATOM 657 C THR A 46 76.641 -7.964 2.094 1.00 0.00 C ATOM 658 O THR A 46 77.574 -7.243 1.743 1.00 0.00 O ATOM 659 CB THR A 46 77.170 -10.247 2.930 1.00 0.00 C ATOM 660 OG1 THR A 46 78.557 -9.976 3.071 1.00 0.00 O ATOM 661 CG2 THR A 46 76.973 -11.755 2.721 1.00 0.00 C ATOM 0 H THR A 46 78.365 -9.264 0.582 1.00 0.00 H new ATOM 0 HA THR A 46 75.606 -9.755 1.527 1.00 0.00 H new ATOM 0 HB THR A 46 76.625 -9.951 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 46 78.914 -10.483 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.367 -12.296 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.910 -11.971 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.501 -12.070 1.821 1.00 0.00 H new ATOM 669 N THR A 47 75.547 -7.494 2.683 1.00 0.00 N ATOM 670 CA THR A 47 75.456 -6.099 3.092 1.00 0.00 C ATOM 671 C THR A 47 76.408 -5.816 4.250 1.00 0.00 C ATOM 672 O THR A 47 76.221 -6.352 5.343 1.00 0.00 O ATOM 673 CB THR A 47 74.015 -5.776 3.498 1.00 0.00 C ATOM 674 OG1 THR A 47 73.135 -6.263 2.495 1.00 0.00 O ATOM 675 CG2 THR A 47 73.816 -4.264 3.639 1.00 0.00 C ATOM 0 H THR A 47 74.718 -8.053 2.886 1.00 0.00 H new ATOM 0 HA THR A 47 75.743 -5.465 2.253 1.00 0.00 H new ATOM 0 HB THR A 47 73.806 -6.249 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.497 -6.049 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.785 -4.058 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.491 -3.878 4.403 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.030 -3.779 2.687 1.00 0.00 H new ATOM 683 N VAL A 48 77.208 -4.762 4.110 1.00 0.00 N ATOM 684 CA VAL A 48 78.150 -4.394 5.164 1.00 0.00 C ATOM 685 C VAL A 48 77.533 -3.360 6.099 1.00 0.00 C ATOM 686 O VAL A 48 77.622 -3.498 7.319 1.00 0.00 O ATOM 687 CB VAL A 48 79.412 -3.775 4.554 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.496 -3.673 5.630 1.00 0.00 C ATOM 689 CG2 VAL A 48 79.908 -4.635 3.387 1.00 0.00 C ATOM 0 H VAL A 48 77.224 -4.155 3.290 1.00 0.00 H new ATOM 0 HA VAL A 48 78.397 -5.300 5.717 1.00 0.00 H new ATOM 0 HB VAL A 48 79.181 -2.778 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.396 -3.233 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.140 -3.045 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.725 -4.668 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.805 -4.187 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.139 -5.638 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.133 -4.693 2.623 1.00 0.00 H new ATOM 699 N ILE A 49 76.673 -2.517 5.538 1.00 0.00 N ATOM 700 CA ILE A 49 75.970 -1.515 6.330 1.00 0.00 C ATOM 701 C ILE A 49 74.567 -1.329 5.767 1.00 0.00 C ATOM 702 O ILE A 49 74.319 -1.582 4.589 1.00 0.00 O ATOM 703 CB ILE A 49 76.756 -0.199 6.306 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.084 -0.419 7.042 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.931 0.925 6.948 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.745 0.907 7.418 1.00 0.00 C ATOM 0 H ILE A 49 76.447 -2.507 4.543 1.00 0.00 H new ATOM 0 HA ILE A 49 75.888 -1.842 7.366 1.00 0.00 H new ATOM 0 HB ILE A 49 76.963 0.104 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.908 -1.007 7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.759 -0.997 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.501 1.854 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.001 1.056 6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.704 0.665 7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.683 0.711 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 49 78.944 1.483 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.080 1.473 8.070 1.00 0.00 H new ATOM 718 N TYR A 50 73.692 -0.754 6.585 1.00 0.00 N ATOM 719 CA TYR A 50 72.299 -0.559 6.194 1.00 0.00 C ATOM 720 C TYR A 50 71.917 0.905 6.384 1.00 0.00 C ATOM 721 O TYR A 50 72.388 1.571 7.307 1.00 0.00 O ATOM 722 CB TYR A 50 71.397 -1.469 7.034 1.00 0.00 C ATOM 723 CG TYR A 50 69.958 -1.011 6.965 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.320 -0.904 5.723 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.306 -0.566 8.123 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.006 -0.427 5.647 1.00 0.00 C ATOM 727 CE2 TYR A 50 67.986 -0.104 8.050 1.00 0.00 C ATOM 728 CZ TYR A 50 67.334 -0.037 6.812 1.00 0.00 C ATOM 729 OH TYR A 50 66.035 0.421 6.739 1.00 0.00 O ATOM 0 H TYR A 50 73.921 -0.416 7.520 1.00 0.00 H new ATOM 0 HA TYR A 50 72.171 -0.819 5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 50 71.474 -2.496 6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.735 -1.467 8.070 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.843 -1.190 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.822 -0.579 9.072 1.00 0.00 H new ATOM 0 HE1 TYR A 50 67.511 -0.360 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.470 0.201 8.949 1.00 0.00 H new ATOM 0 HH TYR A 50 65.717 0.648 7.638 1.00 0.00 H new ATOM 739 N GLU A 51 71.011 1.373 5.533 1.00 0.00 N ATOM 740 CA GLU A 51 70.545 2.751 5.610 1.00 0.00 C ATOM 741 C GLU A 51 71.723 3.705 5.779 1.00 0.00 C ATOM 742 O GLU A 51 71.570 4.813 6.292 1.00 0.00 O ATOM 743 CB GLU A 51 69.586 2.906 6.793 1.00 0.00 C ATOM 744 CG GLU A 51 68.667 4.109 6.562 1.00 0.00 C ATOM 745 CD GLU A 51 68.006 4.522 7.873 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.625 5.267 8.615 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.917 4.043 8.139 1.00 0.00 O ATOM 0 H GLU A 51 70.587 0.822 4.787 1.00 0.00 H new ATOM 0 HA GLU A 51 70.026 2.996 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.991 2.000 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.151 3.040 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 69.241 4.942 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 51 67.905 3.858 5.824 1.00 0.00 H new ATOM 754 N ASP A 52 72.896 3.283 5.321 1.00 0.00 N ATOM 755 CA ASP A 52 74.087 4.119 5.410 1.00 0.00 C ATOM 756 C ASP A 52 74.218 4.722 6.807 1.00 0.00 C ATOM 757 O ASP A 52 74.859 5.756 6.992 1.00 0.00 O ATOM 758 CB ASP A 52 74.071 5.223 4.349 1.00 0.00 C ATOM 759 CG ASP A 52 72.663 5.759 4.113 1.00 0.00 C ATOM 760 OD1 ASP A 52 71.869 5.038 3.533 1.00 0.00 O ATOM 761 OD2 ASP A 52 72.376 6.845 4.589 1.00 0.00 O ATOM 0 H ASP A 52 73.048 2.373 4.887 1.00 0.00 H new ATOM 0 HA ASP A 52 74.954 3.485 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.723 6.038 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.474 4.835 3.414 1.00 0.00 H new ATOM 766 N ASN A 53 73.549 4.107 7.777 1.00 0.00 N ATOM 767 CA ASN A 53 73.567 4.587 9.157 1.00 0.00 C ATOM 768 C ASN A 53 74.376 3.649 10.048 1.00 0.00 C ATOM 769 O ASN A 53 75.195 4.102 10.848 1.00 0.00 O ATOM 770 CB ASN A 53 72.134 4.695 9.684 1.00 0.00 C ATOM 771 CG ASN A 53 71.456 5.939 9.120 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.531 6.473 9.733 1.00 0.00 O ATOM 773 ND2 ASN A 53 71.893 6.469 8.009 1.00 0.00 N ATOM 0 H ASN A 53 72.984 3.270 7.633 1.00 0.00 H new ATOM 0 HA ASN A 53 74.038 5.570 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.568 3.806 9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.142 4.739 10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.468 7.324 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.659 6.028 7.500 1.00 0.00 H new ATOM 780 N GLN A 54 74.092 2.353 9.975 1.00 0.00 N ATOM 781 CA GLN A 54 74.775 1.389 10.827 1.00 0.00 C ATOM 782 C GLN A 54 74.646 -0.020 10.258 1.00 0.00 C ATOM 783 O GLN A 54 73.927 -0.245 9.284 1.00 0.00 O ATOM 784 CB GLN A 54 74.170 1.435 12.231 1.00 0.00 C ATOM 785 CG GLN A 54 72.649 1.569 12.121 1.00 0.00 C ATOM 786 CD GLN A 54 72.022 1.350 13.493 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.829 1.066 13.602 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.776 1.459 14.551 1.00 0.00 N ATOM 0 H GLN A 54 73.401 1.950 9.342 1.00 0.00 H new ATOM 0 HA GLN A 54 75.833 1.648 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.428 0.530 12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.581 2.276 12.790 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.386 2.557 11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.259 0.841 11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.763 1.695 14.451 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.378 1.309 15.478 1.00 0.00 H new ATOM 797 N ARG A 55 75.281 -0.980 10.924 1.00 0.00 N ATOM 798 CA ARG A 55 75.269 -2.369 10.475 1.00 0.00 C ATOM 799 C ARG A 55 74.448 -3.230 11.432 1.00 0.00 C ATOM 800 O ARG A 55 74.425 -2.956 12.633 1.00 0.00 O ATOM 801 CB ARG A 55 76.710 -2.879 10.424 1.00 0.00 C ATOM 802 CG ARG A 55 77.289 -2.907 11.841 1.00 0.00 C ATOM 803 CD ARG A 55 78.817 -2.985 11.793 1.00 0.00 C ATOM 804 NE ARG A 55 79.384 -1.643 11.728 1.00 0.00 N ATOM 805 CZ ARG A 55 79.386 -0.852 12.796 1.00 0.00 C ATOM 806 NH1 ARG A 55 78.713 -1.195 13.860 1.00 0.00 N ATOM 807 NH2 ARG A 55 80.080 0.254 12.794 1.00 0.00 N ATOM 0 H ARG A 55 75.812 -0.821 11.780 1.00 0.00 H new ATOM 0 HA ARG A 55 74.816 -2.428 9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.739 -3.877 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.313 -2.234 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.981 -2.013 12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.892 -3.764 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.191 -3.504 12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.133 -3.564 10.925 1.00 0.00 H new ATOM 0 HE ARG A 55 79.784 -1.307 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.187 -2.069 13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.713 -0.589 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.623 0.514 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.079 0.858 13.616 1.00 0.00 H new ATOM 821 N PRO A 56 73.927 -4.346 10.990 1.00 0.00 N ATOM 822 CA PRO A 56 73.116 -5.232 11.872 1.00 0.00 C ATOM 823 C PRO A 56 73.921 -5.686 13.086 1.00 0.00 C ATOM 824 O PRO A 56 75.128 -5.458 13.155 1.00 0.00 O ATOM 825 CB PRO A 56 72.712 -6.420 10.986 1.00 0.00 C ATOM 826 CG PRO A 56 73.398 -6.229 9.670 1.00 0.00 C ATOM 827 CD PRO A 56 73.806 -4.757 9.581 1.00 0.00 C ATOM 0 HA PRO A 56 72.243 -4.718 12.275 1.00 0.00 H new ATOM 0 HB2 PRO A 56 73.010 -7.363 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.630 -6.456 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.272 -6.876 9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.733 -6.494 8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.747 -4.633 9.045 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.058 -4.165 9.053 1.00 0.00 H new ATOM 835 N SER A 57 73.225 -6.195 14.097 1.00 0.00 N ATOM 836 CA SER A 57 73.905 -6.713 15.278 1.00 0.00 C ATOM 837 C SER A 57 74.613 -8.027 14.961 1.00 0.00 C ATOM 838 O SER A 57 74.032 -8.925 14.351 1.00 0.00 O ATOM 839 CB SER A 57 72.897 -6.914 16.413 1.00 0.00 C ATOM 840 OG SER A 57 72.638 -5.667 17.041 1.00 0.00 O ATOM 0 H SER A 57 72.207 -6.260 14.124 1.00 0.00 H new ATOM 0 HA SER A 57 74.656 -5.989 15.592 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.971 -7.336 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.289 -7.625 17.140 1.00 0.00 H new ATOM 0 HG SER A 57 71.992 -5.794 17.767 1.00 0.00 H new ATOM 846 N GLY A 58 75.801 -8.195 15.536 1.00 0.00 N ATOM 847 CA GLY A 58 76.549 -9.442 15.413 1.00 0.00 C ATOM 848 C GLY A 58 77.712 -9.293 14.436 1.00 0.00 C ATOM 849 O GLY A 58 78.800 -9.818 14.673 1.00 0.00 O ATOM 0 H GLY A 58 76.267 -7.480 16.094 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.928 -9.740 16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.884 -10.236 15.073 1.00 0.00 H new ATOM 853 N VAL A 59 77.503 -8.530 13.367 1.00 0.00 N ATOM 854 CA VAL A 59 78.556 -8.332 12.378 1.00 0.00 C ATOM 855 C VAL A 59 79.640 -7.420 12.950 1.00 0.00 C ATOM 856 O VAL A 59 79.336 -6.524 13.738 1.00 0.00 O ATOM 857 CB VAL A 59 77.970 -7.724 11.099 1.00 0.00 C ATOM 858 CG1 VAL A 59 77.361 -8.824 10.227 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.878 -6.717 11.464 1.00 0.00 C ATOM 0 H VAL A 59 76.628 -8.046 13.165 1.00 0.00 H new ATOM 0 HA VAL A 59 79.000 -9.297 12.133 1.00 0.00 H new ATOM 0 HB VAL A 59 78.767 -7.224 10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.947 -8.382 9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 59 78.133 -9.545 9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.568 -9.329 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.462 -6.285 10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.088 -7.222 12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.305 -5.925 12.079 1.00 0.00 H new ATOM 869 N PRO A 60 80.858 -7.526 12.486 1.00 0.00 N ATOM 870 CA PRO A 60 81.974 -6.704 13.030 1.00 0.00 C ATOM 871 C PRO A 60 81.709 -5.215 12.824 1.00 0.00 C ATOM 872 O PRO A 60 80.952 -4.830 11.934 1.00 0.00 O ATOM 873 CB PRO A 60 83.226 -7.165 12.269 1.00 0.00 C ATOM 874 CG PRO A 60 82.806 -8.239 11.315 1.00 0.00 C ATOM 875 CD PRO A 60 81.353 -8.611 11.623 1.00 0.00 C ATOM 0 HA PRO A 60 82.091 -6.837 14.106 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.676 -6.330 11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.978 -7.541 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.899 -7.891 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.451 -9.111 11.417 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.763 -8.689 10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.291 -9.576 12.126 1.00 0.00 H new ATOM 883 N ASP A 61 82.334 -4.382 13.651 1.00 0.00 N ATOM 884 CA ASP A 61 82.170 -2.935 13.553 1.00 0.00 C ATOM 885 C ASP A 61 83.411 -2.295 12.942 1.00 0.00 C ATOM 886 O ASP A 61 83.808 -1.197 13.330 1.00 0.00 O ATOM 887 CB ASP A 61 81.928 -2.348 14.945 1.00 0.00 C ATOM 888 CG ASP A 61 80.817 -3.121 15.647 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.664 -2.782 15.441 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.138 -4.025 16.400 1.00 0.00 O ATOM 0 H ASP A 61 82.960 -4.685 14.398 1.00 0.00 H new ATOM 0 HA ASP A 61 81.314 -2.726 12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.844 -2.395 15.534 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.656 -1.296 14.863 1.00 0.00 H new ATOM 895 N ARG A 62 83.970 -2.946 11.927 1.00 0.00 N ATOM 896 CA ARG A 62 85.160 -2.424 11.266 1.00 0.00 C ATOM 897 C ARG A 62 84.780 -1.531 10.089 1.00 0.00 C ATOM 898 O ARG A 62 85.654 -1.024 9.387 1.00 0.00 O ATOM 899 CB ARG A 62 86.029 -3.580 10.767 1.00 0.00 C ATOM 900 CG ARG A 62 86.428 -4.475 11.944 1.00 0.00 C ATOM 901 CD ARG A 62 87.622 -5.349 11.550 1.00 0.00 C ATOM 902 NE ARG A 62 87.573 -5.664 10.126 1.00 0.00 N ATOM 903 CZ ARG A 62 88.662 -5.630 9.362 1.00 0.00 C ATOM 904 NH1 ARG A 62 89.671 -6.415 9.625 1.00 0.00 N ATOM 905 NH2 ARG A 62 88.752 -4.755 8.397 1.00 0.00 N ATOM 0 H ARG A 62 83.622 -3.827 11.548 1.00 0.00 H new ATOM 0 HA ARG A 62 85.719 -1.831 11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.484 -4.162 10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.921 -3.191 10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.684 -3.862 12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.587 -5.103 12.237 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.552 -4.831 11.783 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.615 -6.270 12.133 1.00 0.00 H new ATOM 0 HE ARG A 62 86.679 -5.917 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 62 89.626 -7.056 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 62 90.505 -6.388 9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 62 87.989 -4.099 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.586 -4.727 7.810 1.00 0.00 H new ATOM 919 N PHE A 63 83.481 -1.384 9.839 1.00 0.00 N ATOM 920 CA PHE A 63 82.992 -0.563 8.734 1.00 0.00 C ATOM 921 C PHE A 63 82.017 0.487 9.257 1.00 0.00 C ATOM 922 O PHE A 63 81.207 0.204 10.141 1.00 0.00 O ATOM 923 CB PHE A 63 82.307 -1.446 7.683 1.00 0.00 C ATOM 924 CG PHE A 63 82.869 -2.846 7.744 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.387 -3.745 8.702 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.923 -3.217 6.901 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.898 -5.047 8.758 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.451 -4.512 6.975 1.00 0.00 C ATOM 929 CZ PHE A 63 83.934 -5.429 7.898 1.00 0.00 C ATOM 0 H PHE A 63 82.745 -1.825 10.390 1.00 0.00 H new ATOM 0 HA PHE A 63 83.838 -0.057 8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.232 -1.468 7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.459 -1.027 6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.621 -3.435 9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.328 -2.507 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.493 -5.756 9.464 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.258 -4.804 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.334 -6.431 7.946 1.00 0.00 H new ATOM 939 N SER A 64 82.021 1.664 8.637 1.00 0.00 N ATOM 940 CA SER A 64 81.063 2.702 9.014 1.00 0.00 C ATOM 941 C SER A 64 80.650 3.520 7.797 1.00 0.00 C ATOM 942 O SER A 64 81.514 4.011 7.074 1.00 0.00 O ATOM 943 CB SER A 64 81.679 3.631 10.062 1.00 0.00 C ATOM 944 OG SER A 64 80.745 4.643 10.409 1.00 0.00 O ATOM 0 H SER A 64 82.662 1.921 7.886 1.00 0.00 H new ATOM 0 HA SER A 64 80.181 2.215 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 64 81.959 3.061 10.948 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.591 4.082 9.672 1.00 0.00 H new ATOM 0 HG SER A 64 81.140 5.236 11.082 1.00 0.00 H new ATOM 950 N GLY A 65 79.345 3.651 7.568 1.00 0.00 N ATOM 951 CA GLY A 65 78.838 4.407 6.427 1.00 0.00 C ATOM 952 C GLY A 65 78.457 5.830 6.824 1.00 0.00 C ATOM 953 O GLY A 65 77.865 6.048 7.881 1.00 0.00 O ATOM 0 H GLY A 65 78.620 3.243 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.595 4.437 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.968 3.899 6.010 1.00 0.00 H new ATOM 957 N SER A 66 78.634 6.761 5.890 1.00 0.00 N ATOM 958 CA SER A 66 78.233 8.150 6.095 1.00 0.00 C ATOM 959 C SER A 66 77.771 8.760 4.774 1.00 0.00 C ATOM 960 O SER A 66 77.945 8.159 3.714 1.00 0.00 O ATOM 961 CB SER A 66 79.409 8.961 6.648 1.00 0.00 C ATOM 962 OG SER A 66 79.348 10.293 6.159 1.00 0.00 O ATOM 0 H SER A 66 79.055 6.577 4.979 1.00 0.00 H new ATOM 0 HA SER A 66 77.412 8.175 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.381 8.962 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.351 8.499 6.354 1.00 0.00 H new ATOM 0 HG SER A 66 80.101 10.808 6.517 1.00 0.00 H new ATOM 968 N ILE A 67 77.097 9.905 4.849 1.00 0.00 N ATOM 969 CA ILE A 67 76.528 10.534 3.660 1.00 0.00 C ATOM 970 C ILE A 67 76.818 12.031 3.640 1.00 0.00 C ATOM 971 O ILE A 67 76.850 12.685 4.682 1.00 0.00 O ATOM 972 CB ILE A 67 75.017 10.287 3.596 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.362 10.599 4.949 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.757 8.837 3.168 1.00 0.00 C ATOM 975 CD1 ILE A 67 74.362 9.389 5.888 1.00 0.00 C ATOM 0 H ILE A 67 76.932 10.415 5.717 1.00 0.00 H new ATOM 0 HA ILE A 67 76.997 10.084 2.784 1.00 0.00 H new ATOM 0 HB ILE A 67 74.570 10.953 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.891 11.425 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.336 10.929 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.683 8.658 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.196 8.663 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.207 8.158 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 67 73.888 9.661 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 67 73.809 8.570 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 67 75.388 9.074 6.075 1.00 0.00 H new ATOM 987 N ASP A 68 77.037 12.560 2.439 1.00 0.00 N ATOM 988 CA ASP A 68 77.349 13.974 2.255 1.00 0.00 C ATOM 989 C ASP A 68 76.354 14.616 1.295 1.00 0.00 C ATOM 990 O ASP A 68 76.550 14.595 0.080 1.00 0.00 O ATOM 991 CB ASP A 68 78.758 14.121 1.677 1.00 0.00 C ATOM 992 CG ASP A 68 79.762 13.357 2.535 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.665 13.449 3.747 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.623 12.706 1.967 1.00 0.00 O ATOM 0 H ASP A 68 77.004 12.025 1.571 1.00 0.00 H new ATOM 0 HA ASP A 68 77.289 14.470 3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.781 13.744 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.033 15.175 1.634 1.00 0.00 H new ATOM 999 N SER A 69 75.275 15.165 1.842 1.00 0.00 N ATOM 1000 CA SER A 69 74.244 15.783 1.018 1.00 0.00 C ATOM 1001 C SER A 69 74.821 16.945 0.217 1.00 0.00 C ATOM 1002 O SER A 69 74.571 17.073 -0.981 1.00 0.00 O ATOM 1003 CB SER A 69 73.109 16.291 1.909 1.00 0.00 C ATOM 1004 OG SER A 69 73.630 17.217 2.852 1.00 0.00 O ATOM 0 H SER A 69 75.093 15.195 2.845 1.00 0.00 H new ATOM 0 HA SER A 69 73.860 15.036 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.340 16.767 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.635 15.456 2.426 1.00 0.00 H new ATOM 0 HG SER A 69 72.905 17.545 3.423 1.00 0.00 H new ATOM 1010 N SER A 70 75.652 17.746 0.874 1.00 0.00 N ATOM 1011 CA SER A 70 76.279 18.889 0.221 1.00 0.00 C ATOM 1012 C SER A 70 77.093 18.436 -0.987 1.00 0.00 C ATOM 1013 O SER A 70 76.956 18.980 -2.082 1.00 0.00 O ATOM 1014 CB SER A 70 77.223 19.573 1.208 1.00 0.00 C ATOM 1015 OG SER A 70 76.512 19.923 2.386 1.00 0.00 O ATOM 0 H SER A 70 75.906 17.626 1.854 1.00 0.00 H new ATOM 0 HA SER A 70 75.497 19.575 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.050 18.908 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.655 20.465 0.754 1.00 0.00 H new ATOM 0 HG SER A 70 77.121 20.360 3.018 1.00 0.00 H new ATOM 1021 N SER A 71 77.949 17.444 -0.768 1.00 0.00 N ATOM 1022 CA SER A 71 78.796 16.926 -1.837 1.00 0.00 C ATOM 1023 C SER A 71 78.037 15.891 -2.659 1.00 0.00 C ATOM 1024 O SER A 71 78.504 15.457 -3.712 1.00 0.00 O ATOM 1025 CB SER A 71 80.047 16.277 -1.240 1.00 0.00 C ATOM 1026 OG SER A 71 80.888 15.825 -2.291 1.00 0.00 O ATOM 0 H SER A 71 78.075 16.985 0.134 1.00 0.00 H new ATOM 0 HA SER A 71 79.085 17.755 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.580 16.994 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.766 15.442 -0.598 1.00 0.00 H new ATOM 0 HG SER A 71 80.358 15.709 -3.107 1.00 0.00 H new ATOM 1032 N ASN A 72 76.859 15.508 -2.176 1.00 0.00 N ATOM 1033 CA ASN A 72 76.045 14.534 -2.896 1.00 0.00 C ATOM 1034 C ASN A 72 76.815 13.233 -3.104 1.00 0.00 C ATOM 1035 O ASN A 72 76.776 12.651 -4.188 1.00 0.00 O ATOM 1036 CB ASN A 72 75.627 15.099 -4.255 1.00 0.00 C ATOM 1037 CG ASN A 72 74.557 14.211 -4.884 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.400 14.241 -4.464 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.875 13.400 -5.856 1.00 0.00 N ATOM 0 H ASN A 72 76.452 15.850 -1.305 1.00 0.00 H new ATOM 0 HA ASN A 72 75.157 14.327 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.245 16.113 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.493 15.161 -4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.166 12.793 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.833 13.374 -6.205 1.00 0.00 H new ATOM 1046 N SER A 73 77.628 12.865 -2.118 1.00 0.00 N ATOM 1047 CA SER A 73 78.452 11.664 -2.212 1.00 0.00 C ATOM 1048 C SER A 73 78.459 10.924 -0.878 1.00 0.00 C ATOM 1049 O SER A 73 78.228 11.520 0.173 1.00 0.00 O ATOM 1050 CB SER A 73 79.887 12.042 -2.586 1.00 0.00 C ATOM 1051 OG SER A 73 80.611 12.372 -1.409 1.00 0.00 O ATOM 0 H SER A 73 77.734 13.381 -1.245 1.00 0.00 H new ATOM 0 HA SER A 73 78.033 11.016 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.370 11.213 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.884 12.888 -3.274 1.00 0.00 H new ATOM 0 HG SER A 73 81.531 12.613 -1.647 1.00 0.00 H new ATOM 1057 N ALA A 74 78.744 9.626 -0.921 1.00 0.00 N ATOM 1058 CA ALA A 74 78.709 8.803 0.283 1.00 0.00 C ATOM 1059 C ALA A 74 80.115 8.333 0.635 1.00 0.00 C ATOM 1060 O ALA A 74 80.933 8.106 -0.255 1.00 0.00 O ATOM 1061 CB ALA A 74 77.815 7.582 0.056 1.00 0.00 C ATOM 0 H ALA A 74 79.000 9.124 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 74 78.309 9.401 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.795 6.973 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.804 7.911 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.209 6.991 -0.771 1.00 0.00 H new ATOM 1067 N SER A 75 80.449 8.408 1.921 1.00 0.00 N ATOM 1068 CA SER A 75 81.791 8.072 2.388 1.00 0.00 C ATOM 1069 C SER A 75 81.726 7.102 3.562 1.00 0.00 C ATOM 1070 O SER A 75 80.884 7.260 4.445 1.00 0.00 O ATOM 1071 CB SER A 75 82.532 9.335 2.831 1.00 0.00 C ATOM 1072 OG SER A 75 82.729 10.182 1.709 1.00 0.00 O ATOM 0 H SER A 75 79.808 8.699 2.659 1.00 0.00 H new ATOM 0 HA SER A 75 82.325 7.603 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.959 9.856 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.492 9.071 3.274 1.00 0.00 H new ATOM 0 HG SER A 75 82.101 10.933 1.752 1.00 0.00 H new ATOM 1078 N LEU A 76 82.446 5.988 3.452 1.00 0.00 N ATOM 1079 CA LEU A 76 82.509 5.010 4.536 1.00 0.00 C ATOM 1080 C LEU A 76 83.850 5.088 5.260 1.00 0.00 C ATOM 1081 O LEU A 76 84.903 5.149 4.629 1.00 0.00 O ATOM 1082 CB LEU A 76 82.206 3.610 3.980 1.00 0.00 C ATOM 1083 CG LEU A 76 83.035 2.504 4.648 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.360 1.148 4.408 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.482 2.500 4.130 1.00 0.00 C ATOM 0 H LEU A 76 82.992 5.740 2.627 1.00 0.00 H new ATOM 0 HA LEU A 76 81.750 5.237 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.146 3.393 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.398 3.602 2.907 1.00 0.00 H new ATOM 0 HG LEU A 76 83.080 2.696 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.947 0.361 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.357 1.160 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.296 0.958 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.043 1.705 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.483 2.331 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.949 3.461 4.346 1.00 0.00 H new ATOM 1097 N THR A 77 83.815 5.002 6.588 1.00 0.00 N ATOM 1098 CA THR A 77 85.033 4.944 7.390 1.00 0.00 C ATOM 1099 C THR A 77 85.232 3.543 7.963 1.00 0.00 C ATOM 1100 O THR A 77 84.407 3.047 8.729 1.00 0.00 O ATOM 1101 CB THR A 77 84.937 5.959 8.531 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.901 7.274 7.996 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.144 5.818 9.461 1.00 0.00 C ATOM 0 H THR A 77 82.953 4.971 7.132 1.00 0.00 H new ATOM 0 HA THR A 77 85.886 5.183 6.755 1.00 0.00 H new ATOM 0 HB THR A 77 84.026 5.771 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.838 7.923 8.727 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.067 6.544 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.166 4.811 9.878 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.060 5.998 8.898 1.00 0.00 H new ATOM 1111 N ILE A 78 86.358 2.922 7.629 1.00 0.00 N ATOM 1112 CA ILE A 78 86.678 1.584 8.117 1.00 0.00 C ATOM 1113 C ILE A 78 87.820 1.667 9.126 1.00 0.00 C ATOM 1114 O ILE A 78 88.805 2.365 8.891 1.00 0.00 O ATOM 1115 CB ILE A 78 87.052 0.721 6.905 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.825 -0.021 6.367 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.132 -0.311 7.246 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.119 -0.600 4.981 1.00 0.00 C ATOM 0 H ILE A 78 87.069 3.326 7.019 1.00 0.00 H new ATOM 0 HA ILE A 78 85.826 1.134 8.627 1.00 0.00 H new ATOM 0 HB ILE A 78 87.441 1.402 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.547 -0.822 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.976 0.660 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.366 -0.900 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.031 0.202 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.769 -0.971 8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.238 -1.125 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.374 0.208 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.955 -1.297 5.048 1.00 0.00 H new ATOM 1130 N SER A 79 87.812 0.754 10.093 1.00 0.00 N ATOM 1131 CA SER A 79 88.883 0.668 11.081 1.00 0.00 C ATOM 1132 C SER A 79 89.346 -0.774 11.256 1.00 0.00 C ATOM 1133 O SER A 79 88.541 -1.674 11.499 1.00 0.00 O ATOM 1134 CB SER A 79 88.399 1.225 12.421 1.00 0.00 C ATOM 1135 OG SER A 79 87.222 0.537 12.818 1.00 0.00 O ATOM 0 H SER A 79 87.073 0.061 10.214 1.00 0.00 H new ATOM 0 HA SER A 79 89.727 1.259 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 79 89.175 1.109 13.178 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.198 2.293 12.333 1.00 0.00 H new ATOM 0 HG SER A 79 87.298 -0.409 12.575 1.00 0.00 H new ATOM 1141 N GLY A 80 90.657 -0.977 11.158 1.00 0.00 N ATOM 1142 CA GLY A 80 91.247 -2.301 11.331 1.00 0.00 C ATOM 1143 C GLY A 80 91.414 -3.003 9.987 1.00 0.00 C ATOM 1144 O GLY A 80 90.640 -3.896 9.643 1.00 0.00 O ATOM 0 H GLY A 80 91.333 -0.239 10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.216 -2.210 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.615 -2.903 11.984 1.00 0.00 H new ATOM 1148 N LEU A 81 92.431 -2.598 9.234 1.00 0.00 N ATOM 1149 CA LEU A 81 92.696 -3.203 7.934 1.00 0.00 C ATOM 1150 C LEU A 81 93.400 -4.545 8.106 1.00 0.00 C ATOM 1151 O LEU A 81 94.407 -4.648 8.806 1.00 0.00 O ATOM 1152 CB LEU A 81 93.550 -2.249 7.089 1.00 0.00 C ATOM 1153 CG LEU A 81 92.666 -1.386 6.181 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.167 -2.216 4.990 1.00 0.00 C ATOM 1155 CD2 LEU A 81 91.495 -0.788 6.970 1.00 0.00 C ATOM 0 H LEU A 81 93.081 -1.858 9.499 1.00 0.00 H new ATOM 0 HA LEU A 81 91.751 -3.380 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 94.142 -1.609 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 81 94.252 -2.822 6.483 1.00 0.00 H new ATOM 0 HG LEU A 81 93.261 -0.557 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.540 -1.595 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.020 -2.580 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.586 -3.063 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.881 -0.180 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.889 -1.592 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 81 91.881 -0.166 7.778 1.00 0.00 H new ATOM 1167 N LYS A 82 92.872 -5.564 7.434 1.00 0.00 N ATOM 1168 CA LYS A 82 93.445 -6.903 7.505 1.00 0.00 C ATOM 1169 C LYS A 82 93.138 -7.686 6.233 1.00 0.00 C ATOM 1170 O LYS A 82 92.205 -7.360 5.499 1.00 0.00 O ATOM 1171 CB LYS A 82 92.884 -7.653 8.716 1.00 0.00 C ATOM 1172 CG LYS A 82 93.459 -7.064 10.008 1.00 0.00 C ATOM 1173 CD LYS A 82 93.108 -7.945 11.214 1.00 0.00 C ATOM 1174 CE LYS A 82 94.183 -7.801 12.295 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.461 -6.357 12.536 1.00 0.00 N ATOM 0 H LYS A 82 92.050 -5.488 6.835 1.00 0.00 H new ATOM 0 HA LYS A 82 94.526 -6.807 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.796 -7.582 8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.134 -8.712 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.542 -6.974 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.067 -6.059 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.136 -7.657 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.029 -8.987 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.851 -8.276 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.095 -8.310 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.928 -6.243 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.082 -5.993 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.567 -5.826 12.533 1.00 0.00 H new ATOM 1189 N THR A 83 93.914 -8.736 5.990 1.00 0.00 N ATOM 1190 CA THR A 83 93.739 -9.547 4.791 1.00 0.00 C ATOM 1191 C THR A 83 92.328 -10.113 4.715 1.00 0.00 C ATOM 1192 O THR A 83 91.723 -10.168 3.645 1.00 0.00 O ATOM 1193 CB THR A 83 94.743 -10.702 4.804 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.591 -11.440 6.008 1.00 0.00 O ATOM 1195 CG2 THR A 83 96.169 -10.146 4.731 1.00 0.00 C ATOM 0 H THR A 83 94.667 -9.045 6.604 1.00 0.00 H new ATOM 0 HA THR A 83 93.907 -8.912 3.921 1.00 0.00 H new ATOM 0 HB THR A 83 94.561 -11.350 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.231 -12.182 6.020 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.882 -10.970 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 83 96.289 -9.573 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.352 -9.499 5.589 1.00 0.00 H new ATOM 1203 N GLU A 84 91.782 -10.434 5.880 1.00 0.00 N ATOM 1204 CA GLU A 84 90.410 -10.920 5.943 1.00 0.00 C ATOM 1205 C GLU A 84 89.484 -9.915 5.267 1.00 0.00 C ATOM 1206 O GLU A 84 88.317 -10.208 5.003 1.00 0.00 O ATOM 1207 CB GLU A 84 89.987 -11.117 7.400 1.00 0.00 C ATOM 1208 CG GLU A 84 90.720 -12.324 7.988 1.00 0.00 C ATOM 1209 CD GLU A 84 90.156 -13.613 7.398 1.00 0.00 C ATOM 1210 OE1 GLU A 84 88.952 -13.795 7.469 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.938 -14.407 6.902 1.00 0.00 O ATOM 0 H GLU A 84 92.258 -10.369 6.780 1.00 0.00 H new ATOM 0 HA GLU A 84 90.346 -11.878 5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.215 -10.222 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.909 -11.269 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.786 -12.252 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 84 90.612 -12.333 9.073 1.00 0.00 H new ATOM 1218 N ASP A 85 90.031 -8.748 4.939 1.00 0.00 N ATOM 1219 CA ASP A 85 89.278 -7.717 4.233 1.00 0.00 C ATOM 1220 C ASP A 85 89.624 -7.722 2.748 1.00 0.00 C ATOM 1221 O ASP A 85 88.793 -7.363 1.914 1.00 0.00 O ATOM 1222 CB ASP A 85 89.600 -6.345 4.829 1.00 0.00 C ATOM 1223 CG ASP A 85 89.598 -6.434 6.351 1.00 0.00 C ATOM 1224 OD1 ASP A 85 88.750 -7.132 6.881 1.00 0.00 O ATOM 1225 OD2 ASP A 85 90.466 -5.832 6.962 1.00 0.00 O ATOM 0 H ASP A 85 90.995 -8.493 5.152 1.00 0.00 H new ATOM 0 HA ASP A 85 88.214 -7.925 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.573 -6.004 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.865 -5.612 4.497 1.00 0.00 H new ATOM 1230 N GLU A 86 90.853 -8.112 2.421 1.00 0.00 N ATOM 1231 CA GLU A 86 91.281 -8.172 1.028 1.00 0.00 C ATOM 1232 C GLU A 86 90.175 -8.704 0.122 1.00 0.00 C ATOM 1233 O GLU A 86 90.032 -9.914 -0.058 1.00 0.00 O ATOM 1234 CB GLU A 86 92.521 -9.063 0.926 1.00 0.00 C ATOM 1235 CG GLU A 86 92.963 -9.153 -0.535 1.00 0.00 C ATOM 1236 CD GLU A 86 94.340 -9.802 -0.626 1.00 0.00 C ATOM 1237 OE1 GLU A 86 95.037 -9.805 0.375 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.702 -10.225 -1.711 1.00 0.00 O ATOM 0 H GLU A 86 91.565 -8.389 3.097 1.00 0.00 H new ATOM 0 HA GLU A 86 91.517 -7.162 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 93.327 -8.655 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.300 -10.058 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.240 -9.734 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.992 -8.157 -0.977 1.00 0.00 H new ATOM 1245 N ALA A 87 89.390 -7.788 -0.436 1.00 0.00 N ATOM 1246 CA ALA A 87 88.279 -8.171 -1.299 1.00 0.00 C ATOM 1247 C ALA A 87 87.720 -6.948 -2.020 1.00 0.00 C ATOM 1248 O ALA A 87 88.328 -5.878 -2.015 1.00 0.00 O ATOM 1249 CB ALA A 87 87.196 -8.853 -0.455 1.00 0.00 C ATOM 0 H ALA A 87 89.501 -6.782 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 87 88.630 -8.871 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.363 -9.141 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.611 -9.741 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.843 -8.162 0.311 1.00 0.00 H new ATOM 1255 N ASP A 88 86.574 -7.128 -2.671 1.00 0.00 N ATOM 1256 CA ASP A 88 85.931 -6.050 -3.417 1.00 0.00 C ATOM 1257 C ASP A 88 84.764 -5.482 -2.613 1.00 0.00 C ATOM 1258 O ASP A 88 84.126 -6.185 -1.831 1.00 0.00 O ATOM 1259 CB ASP A 88 85.460 -6.549 -4.793 1.00 0.00 C ATOM 1260 CG ASP A 88 85.830 -8.014 -5.002 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.999 -8.335 -4.868 1.00 0.00 O ATOM 1262 OD2 ASP A 88 84.934 -8.800 -5.260 1.00 0.00 O ATOM 0 H ASP A 88 86.070 -8.014 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 88 86.657 -5.254 -3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.380 -6.428 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.911 -5.941 -5.578 1.00 0.00 H new ATOM 1267 N TYR A 89 84.475 -4.206 -2.848 1.00 0.00 N ATOM 1268 CA TYR A 89 83.370 -3.506 -2.198 1.00 0.00 C ATOM 1269 C TYR A 89 82.340 -3.067 -3.236 1.00 0.00 C ATOM 1270 O TYR A 89 82.693 -2.590 -4.315 1.00 0.00 O ATOM 1271 CB TYR A 89 83.917 -2.297 -1.428 1.00 0.00 C ATOM 1272 CG TYR A 89 84.079 -2.619 0.040 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.003 -2.423 0.915 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.272 -3.174 0.515 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.141 -2.722 2.275 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.413 -3.470 1.876 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.335 -3.279 2.749 1.00 0.00 C ATOM 1278 OH TYR A 89 84.458 -3.617 4.081 1.00 0.00 O ATOM 0 H TYR A 89 85.003 -3.624 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 89 82.876 -4.178 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.878 -1.999 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.241 -1.450 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.065 -2.041 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.084 -3.374 -0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.328 -2.524 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.353 -3.846 2.253 1.00 0.00 H new ATOM 0 HH TYR A 89 83.777 -3.143 4.603 1.00 0.00 H new ATOM 1288 N TYR A 90 81.065 -3.154 -2.865 1.00 0.00 N ATOM 1289 CA TYR A 90 79.965 -2.739 -3.732 1.00 0.00 C ATOM 1290 C TYR A 90 79.116 -1.683 -3.023 1.00 0.00 C ATOM 1291 O TYR A 90 78.950 -1.727 -1.804 1.00 0.00 O ATOM 1292 CB TYR A 90 79.129 -3.974 -4.104 1.00 0.00 C ATOM 1293 CG TYR A 90 79.348 -4.381 -5.545 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.626 -4.741 -5.990 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.282 -4.340 -6.454 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.829 -5.091 -7.330 1.00 0.00 C ATOM 1297 CE2 TYR A 90 78.492 -4.661 -7.800 1.00 0.00 C ATOM 1298 CZ TYR A 90 79.767 -5.034 -8.240 1.00 0.00 C ATOM 1299 OH TYR A 90 79.969 -5.361 -9.566 1.00 0.00 O ATOM 0 H TYR A 90 80.766 -3.513 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 90 80.354 -2.293 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.392 -4.803 -3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.072 -3.761 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.456 -4.749 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.296 -4.060 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 90 81.807 -5.406 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 90 77.670 -4.621 -8.499 1.00 0.00 H new ATOM 0 HH TYR A 90 79.126 -5.268 -10.058 1.00 0.00 H new ATOM 1309 N CYS A 91 78.518 -0.783 -3.805 1.00 0.00 N ATOM 1310 CA CYS A 91 77.652 0.278 -3.287 1.00 0.00 C ATOM 1311 C CYS A 91 76.258 0.062 -3.886 1.00 0.00 C ATOM 1312 O CYS A 91 76.135 -0.448 -5.000 1.00 0.00 O ATOM 1313 CB CYS A 91 78.181 1.664 -3.703 1.00 0.00 C ATOM 1314 SG CYS A 91 79.586 2.290 -2.730 1.00 0.00 S ATOM 0 H CYS A 91 78.621 -0.769 -4.820 1.00 0.00 H new ATOM 0 HA CYS A 91 77.625 0.241 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.478 1.621 -4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.364 2.382 -3.632 1.00 0.00 H new ATOM 1319 N GLN A 92 75.198 0.408 -3.158 1.00 0.00 N ATOM 1320 CA GLN A 92 73.838 0.321 -3.689 1.00 0.00 C ATOM 1321 C GLN A 92 73.031 1.563 -3.328 1.00 0.00 C ATOM 1322 O GLN A 92 72.909 1.916 -2.155 1.00 0.00 O ATOM 1323 CB GLN A 92 73.112 -0.908 -3.136 1.00 0.00 C ATOM 1324 CG GLN A 92 73.852 -2.183 -3.547 1.00 0.00 C ATOM 1325 CD GLN A 92 72.932 -3.394 -3.432 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.163 -3.505 -2.477 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.961 -4.312 -4.359 1.00 0.00 N ATOM 0 H GLN A 92 75.254 0.751 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 92 73.921 0.241 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.052 -0.847 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.089 -0.935 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.212 -2.088 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.728 -2.323 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.599 -4.218 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.346 -5.123 -4.293 1.00 0.00 H new ATOM 1336 N SER A 93 72.424 2.185 -4.335 1.00 0.00 N ATOM 1337 CA SER A 93 71.654 3.409 -4.137 1.00 0.00 C ATOM 1338 C SER A 93 70.248 3.263 -4.712 1.00 0.00 C ATOM 1339 O SER A 93 70.002 2.407 -5.562 1.00 0.00 O ATOM 1340 CB SER A 93 72.365 4.584 -4.811 1.00 0.00 C ATOM 1341 OG SER A 93 72.384 4.386 -6.217 1.00 0.00 O ATOM 0 H SER A 93 72.451 1.859 -5.301 1.00 0.00 H new ATOM 0 HA SER A 93 71.574 3.596 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.854 5.517 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.383 4.672 -4.432 1.00 0.00 H new ATOM 0 HG SER A 93 72.691 5.205 -6.659 1.00 0.00 H new ATOM 1347 N TYR A 94 69.337 4.125 -4.269 1.00 0.00 N ATOM 1348 CA TYR A 94 67.958 4.107 -4.747 1.00 0.00 C ATOM 1349 C TYR A 94 67.599 5.453 -5.368 1.00 0.00 C ATOM 1350 O TYR A 94 68.007 6.507 -4.881 1.00 0.00 O ATOM 1351 CB TYR A 94 67.016 3.804 -3.576 1.00 0.00 C ATOM 1352 CG TYR A 94 66.900 2.311 -3.372 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.029 1.567 -4.177 1.00 0.00 C ATOM 1354 CD2 TYR A 94 67.651 1.673 -2.378 1.00 0.00 C ATOM 1355 CE1 TYR A 94 65.920 0.183 -4.000 1.00 0.00 C ATOM 1356 CE2 TYR A 94 67.538 0.290 -2.196 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.672 -0.455 -3.006 1.00 0.00 C ATOM 1358 OH TYR A 94 66.565 -1.819 -2.830 1.00 0.00 O ATOM 0 H TYR A 94 69.531 4.848 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 94 67.853 3.333 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.391 4.274 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.032 4.229 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.441 2.062 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.317 2.248 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.257 -0.392 -4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.119 -0.203 -1.431 1.00 0.00 H new ATOM 0 HH TYR A 94 67.154 -2.102 -2.100 1.00 0.00 H new ATOM 1368 N ASP A 95 66.813 5.405 -6.439 1.00 0.00 N ATOM 1369 CA ASP A 95 66.389 6.617 -7.130 1.00 0.00 C ATOM 1370 C ASP A 95 65.089 7.143 -6.528 1.00 0.00 C ATOM 1371 O ASP A 95 64.497 6.508 -5.656 1.00 0.00 O ATOM 1372 CB ASP A 95 66.188 6.323 -8.619 1.00 0.00 C ATOM 1373 CG ASP A 95 67.541 6.191 -9.312 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.203 7.204 -9.473 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.918 5.074 -9.624 1.00 0.00 O ATOM 0 H ASP A 95 66.457 4.540 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 95 67.163 7.376 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.616 5.404 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.610 7.123 -9.081 1.00 0.00 H new ATOM 1380 N SER A 96 64.626 8.282 -7.033 1.00 0.00 N ATOM 1381 CA SER A 96 63.381 8.869 -6.553 1.00 0.00 C ATOM 1382 C SER A 96 62.221 7.896 -6.735 1.00 0.00 C ATOM 1383 O SER A 96 61.263 7.907 -5.963 1.00 0.00 O ATOM 1384 CB SER A 96 63.090 10.161 -7.318 1.00 0.00 C ATOM 1385 OG SER A 96 63.252 9.933 -8.710 1.00 0.00 O ATOM 0 H SER A 96 65.091 8.813 -7.769 1.00 0.00 H new ATOM 0 HA SER A 96 63.489 9.088 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.075 10.499 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.763 10.952 -6.987 1.00 0.00 H new ATOM 0 HG SER A 96 63.064 10.760 -9.201 1.00 0.00 H new ATOM 1391 N SER A 97 62.324 7.044 -7.750 1.00 0.00 N ATOM 1392 CA SER A 97 61.291 6.049 -8.016 1.00 0.00 C ATOM 1393 C SER A 97 61.505 4.811 -7.151 1.00 0.00 C ATOM 1394 O SER A 97 60.882 3.772 -7.374 1.00 0.00 O ATOM 1395 CB SER A 97 61.324 5.655 -9.494 1.00 0.00 C ATOM 1396 OG SER A 97 62.646 5.279 -9.850 1.00 0.00 O ATOM 0 H SER A 97 63.110 7.022 -8.400 1.00 0.00 H new ATOM 0 HA SER A 97 60.320 6.481 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.637 4.829 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 97 60.992 6.489 -10.112 1.00 0.00 H new ATOM 0 HG SER A 97 62.670 5.024 -10.796 1.00 0.00 H new ATOM 1402 N ASN A 98 62.395 4.923 -6.171 1.00 0.00 N ATOM 1403 CA ASN A 98 62.674 3.801 -5.283 1.00 0.00 C ATOM 1404 C ASN A 98 63.153 2.591 -6.078 1.00 0.00 C ATOM 1405 O ASN A 98 62.642 1.484 -5.908 1.00 0.00 O ATOM 1406 CB ASN A 98 61.417 3.427 -4.496 1.00 0.00 C ATOM 1407 CG ASN A 98 60.737 4.688 -3.975 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.140 5.435 -4.750 1.00 0.00 O ATOM 1409 ND2 ASN A 98 60.755 4.952 -2.697 1.00 0.00 N ATOM 0 H ASN A 98 62.930 5.769 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 98 63.460 4.103 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.730 2.870 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.679 2.774 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 98 60.274 5.778 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 98 61.250 4.333 -2.055 1.00 0.00 H new ATOM 1416 N HIS A 99 64.138 2.806 -6.947 1.00 0.00 N ATOM 1417 CA HIS A 99 64.676 1.737 -7.783 1.00 0.00 C ATOM 1418 C HIS A 99 66.112 1.432 -7.369 1.00 0.00 C ATOM 1419 O HIS A 99 66.987 2.295 -7.432 1.00 0.00 O ATOM 1420 CB HIS A 99 64.626 2.172 -9.253 1.00 0.00 C ATOM 1421 CG HIS A 99 64.405 0.990 -10.157 1.00 0.00 C ATOM 1422 ND1 HIS A 99 65.050 -0.221 -9.966 1.00 0.00 N ATOM 1423 CD2 HIS A 99 63.539 0.790 -11.205 1.00 0.00 C ATOM 1424 CE1 HIS A 99 64.588 -1.079 -10.891 1.00 0.00 C ATOM 1425 NE2 HIS A 99 63.671 -0.513 -11.680 1.00 0.00 N ATOM 0 H HIS A 99 64.581 3.714 -7.090 1.00 0.00 H new ATOM 0 HA HIS A 99 64.078 0.834 -7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.825 2.897 -9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.558 2.670 -9.521 1.00 0.00 H new ATOM 0 HD2 HIS A 99 62.859 1.530 -11.600 1.00 0.00 H new ATOM 0 HE1 HIS A 99 64.918 -2.103 -10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 99 63.175 -0.942 -12.461 1.00 0.00 H new ATOM 1433 N VAL A 100 66.352 0.179 -6.996 1.00 0.00 N ATOM 1434 CA VAL A 100 67.679 -0.237 -6.557 1.00 0.00 C ATOM 1435 C VAL A 100 68.693 -0.036 -7.677 1.00 0.00 C ATOM 1436 O VAL A 100 68.407 -0.324 -8.839 1.00 0.00 O ATOM 1437 CB VAL A 100 67.646 -1.712 -6.149 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.416 -2.586 -7.385 1.00 0.00 C ATOM 1439 CG2 VAL A 100 68.970 -2.091 -5.482 1.00 0.00 C ATOM 0 H VAL A 100 65.650 -0.561 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 100 67.975 0.370 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 100 66.831 -1.873 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.393 -3.635 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.466 -2.319 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.225 -2.427 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 100 68.944 -3.142 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.790 -1.928 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.121 -1.474 -4.596 1.00 0.00 H new ATOM 1449 N VAL A 101 69.861 0.495 -7.331 1.00 0.00 N ATOM 1450 CA VAL A 101 70.919 0.719 -8.311 1.00 0.00 C ATOM 1451 C VAL A 101 72.222 0.084 -7.836 1.00 0.00 C ATOM 1452 O VAL A 101 72.438 -0.090 -6.636 1.00 0.00 O ATOM 1453 CB VAL A 101 71.121 2.223 -8.502 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.310 2.467 -9.434 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.858 2.830 -9.115 1.00 0.00 C ATOM 0 H VAL A 101 70.099 0.778 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 101 70.631 0.263 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 101 71.318 2.689 -7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.452 3.539 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.210 2.034 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.116 2.002 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.999 3.902 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.662 2.363 -10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 101 69.012 2.658 -8.450 1.00 0.00 H new ATOM 1465 N PHE A 102 73.107 -0.223 -8.781 1.00 0.00 N ATOM 1466 CA PHE A 102 74.390 -0.845 -8.468 1.00 0.00 C ATOM 1467 C PHE A 102 75.533 0.080 -8.876 1.00 0.00 C ATOM 1468 O PHE A 102 75.435 0.795 -9.873 1.00 0.00 O ATOM 1469 CB PHE A 102 74.513 -2.178 -9.212 1.00 0.00 C ATOM 1470 CG PHE A 102 73.165 -2.857 -9.251 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.723 -3.607 -8.154 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.366 -2.755 -10.396 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.469 -4.229 -8.194 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.105 -3.362 -10.429 1.00 0.00 C ATOM 1475 CZ PHE A 102 70.668 -4.119 -9.336 1.00 0.00 C ATOM 0 H PHE A 102 72.957 -0.050 -9.775 1.00 0.00 H new ATOM 0 HA PHE A 102 74.445 -1.025 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.877 -2.009 -10.226 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.241 -2.819 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 102 73.348 -3.705 -7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 102 72.723 -2.207 -11.255 1.00 0.00 H new ATOM 0 HE1 PHE A 102 71.120 -4.794 -7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 102 70.471 -3.246 -11.296 1.00 0.00 H new ATOM 0 HZ PHE A 102 69.711 -4.619 -9.374 1.00 0.00 H new ATOM 1485 N GLY A 103 76.612 0.073 -8.099 1.00 0.00 N ATOM 1486 CA GLY A 103 77.765 0.916 -8.397 1.00 0.00 C ATOM 1487 C GLY A 103 78.836 0.139 -9.156 1.00 0.00 C ATOM 1488 O GLY A 103 78.700 -1.062 -9.386 1.00 0.00 O ATOM 0 H GLY A 103 76.712 -0.503 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.448 1.775 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.184 1.305 -7.469 1.00 0.00 H new ATOM 1492 N GLY A 104 79.856 0.856 -9.616 1.00 0.00 N ATOM 1493 CA GLY A 104 80.927 0.238 -10.389 1.00 0.00 C ATOM 1494 C GLY A 104 81.683 -0.784 -9.546 1.00 0.00 C ATOM 1495 O GLY A 104 82.144 -1.804 -10.058 1.00 0.00 O ATOM 0 H GLY A 104 79.963 1.859 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.511 -0.248 -11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.616 1.005 -10.743 1.00 0.00 H new ATOM 1499 N GLY A 105 81.791 -0.514 -8.248 1.00 0.00 N ATOM 1500 CA GLY A 105 82.499 -1.408 -7.338 1.00 0.00 C ATOM 1501 C GLY A 105 83.923 -0.920 -7.098 1.00 0.00 C ATOM 1502 O GLY A 105 84.451 -0.113 -7.864 1.00 0.00 O ATOM 0 H GLY A 105 81.398 0.316 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.965 -1.466 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.520 -2.415 -7.754 1.00 0.00 H new ATOM 1506 N THR A 106 84.543 -1.409 -6.028 1.00 0.00 N ATOM 1507 CA THR A 106 85.904 -1.011 -5.681 1.00 0.00 C ATOM 1508 C THR A 106 86.708 -2.224 -5.225 1.00 0.00 C ATOM 1509 O THR A 106 86.232 -3.031 -4.425 1.00 0.00 O ATOM 1510 CB THR A 106 85.862 0.043 -4.572 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.339 1.254 -5.098 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.272 0.298 -4.033 1.00 0.00 C ATOM 0 H THR A 106 84.124 -2.082 -5.386 1.00 0.00 H new ATOM 0 HA THR A 106 86.388 -0.586 -6.561 1.00 0.00 H new ATOM 0 HB THR A 106 85.229 -0.318 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.568 1.324 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.230 1.050 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.680 -0.629 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.911 0.655 -4.841 1.00 0.00 H new ATOM 1520 N LYS A 107 87.935 -2.342 -5.724 1.00 0.00 N ATOM 1521 CA LYS A 107 88.800 -3.461 -5.363 1.00 0.00 C ATOM 1522 C LYS A 107 89.789 -3.044 -4.280 1.00 0.00 C ATOM 1523 O LYS A 107 90.771 -2.353 -4.551 1.00 0.00 O ATOM 1524 CB LYS A 107 89.574 -3.943 -6.593 1.00 0.00 C ATOM 1525 CG LYS A 107 90.159 -5.332 -6.319 1.00 0.00 C ATOM 1526 CD LYS A 107 90.814 -5.894 -7.587 1.00 0.00 C ATOM 1527 CE LYS A 107 90.816 -7.424 -7.542 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.572 -7.889 -6.345 1.00 0.00 N ATOM 0 H LYS A 107 88.352 -1.679 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 107 88.174 -4.269 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.914 -3.980 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.373 -3.241 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.895 -5.272 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.372 -6.005 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.274 -5.549 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.835 -5.523 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 107 89.793 -7.798 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.270 -7.824 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 91.777 -8.904 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.465 -7.361 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 91.002 -7.727 -5.490 1.00 0.00 H new ATOM 1542 N LEU A 108 89.500 -3.434 -3.044 1.00 0.00 N ATOM 1543 CA LEU A 108 90.386 -3.133 -1.928 1.00 0.00 C ATOM 1544 C LEU A 108 91.371 -4.276 -1.713 1.00 0.00 C ATOM 1545 O LEU A 108 90.981 -5.358 -1.274 1.00 0.00 O ATOM 1546 CB LEU A 108 89.543 -2.919 -0.668 1.00 0.00 C ATOM 1547 CG LEU A 108 90.382 -2.274 0.441 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.492 -0.764 0.210 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.719 -2.509 1.801 1.00 0.00 C ATOM 0 H LEU A 108 88.662 -3.957 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 108 90.954 -2.229 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.688 -2.284 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.147 -3.874 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 108 91.375 -2.724 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.090 -0.317 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.968 -0.577 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.496 -0.322 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.321 -2.048 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.723 -2.067 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.641 -3.580 1.987 1.00 0.00 H new ATOM 1561 N THR A 109 92.662 -3.966 -1.814 1.00 0.00 N ATOM 1562 CA THR A 109 93.700 -4.975 -1.627 1.00 0.00 C ATOM 1563 C THR A 109 94.562 -4.622 -0.421 1.00 0.00 C ATOM 1564 O THR A 109 95.068 -3.506 -0.310 1.00 0.00 O ATOM 1565 CB THR A 109 94.587 -5.046 -2.872 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.813 -5.464 -3.987 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.727 -6.039 -2.637 1.00 0.00 C ATOM 0 H THR A 109 93.012 -3.031 -2.023 1.00 0.00 H new ATOM 0 HA THR A 109 93.222 -5.940 -1.462 1.00 0.00 H new ATOM 0 HB THR A 109 95.005 -4.059 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.383 -5.507 -4.783 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.357 -6.087 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.325 -5.712 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.313 -7.026 -2.432 1.00 0.00 H new ATOM 1575 N VAL A 110 94.738 -5.592 0.472 1.00 0.00 N ATOM 1576 CA VAL A 110 95.549 -5.394 1.670 1.00 0.00 C ATOM 1577 C VAL A 110 96.911 -6.056 1.499 1.00 0.00 C ATOM 1578 O VAL A 110 97.004 -7.267 1.295 1.00 0.00 O ATOM 1579 CB VAL A 110 94.843 -5.987 2.893 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.538 -5.480 4.159 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.362 -5.584 2.899 1.00 0.00 C ATOM 0 H VAL A 110 94.330 -6.523 0.389 1.00 0.00 H new ATOM 0 HA VAL A 110 95.686 -4.323 1.820 1.00 0.00 H new ATOM 0 HB VAL A 110 94.898 -7.075 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.044 -5.896 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.583 -5.791 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.483 -4.392 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.872 -6.012 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.281 -4.498 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.880 -5.956 1.995 1.00 0.00 H new ATOM 1591 N LEU A 111 97.969 -5.254 1.592 1.00 0.00 N ATOM 1592 CA LEU A 111 99.329 -5.750 1.394 1.00 0.00 C ATOM 1593 C LEU A 111 99.978 -6.006 2.751 1.00 0.00 C ATOM 1594 O LEU A 111 99.240 -6.333 3.687 1.00 0.00 O ATOM 1595 CB LEU A 111 100.162 -4.758 0.569 1.00 0.00 C ATOM 1596 CG LEU A 111 99.251 -3.800 -0.210 1.00 0.00 C ATOM 1597 CD1 LEU A 111 98.799 -2.643 0.690 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.999 -3.253 -1.430 1.00 0.00 C ATOM 1599 OXT LEU A 111 101.166 -5.830 2.862 1.00 0.00 O ATOM 0 H LEU A 111 97.911 -4.258 1.803 1.00 0.00 H new ATOM 0 HA LEU A 111 99.287 -6.685 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.817 -4.189 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.803 -5.302 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 111 98.369 -4.346 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.154 -1.972 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.250 -3.039 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.672 -2.094 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.349 -2.573 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.889 -2.717 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.292 -4.079 -2.078 1.00 0.00 H new