USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=42 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 35 GLN : amide:sc= -1.49 K(o=-1.6,f=-2.3) USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= -0.132 F(o=-2.4!,f=-1.6) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.00178 USER MOD Set 2.2: A 77 THR OG1 : rot -52:sc= 0.00145 USER MOD Set 3.1: A 71 SER OG : rot -30:sc= 0.149 USER MOD Set 3.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 69 SER OG : rot 180:sc= -0.0881 USER MOD Set 4.2: A 70 SER OG : rot 180:sc= 0.00441 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 47 THR OG1 : rot -62:sc= 0.806 USER MOD Set 6.1: A 31 SER OG : rot -43:sc= -0.761 USER MOD Set 6.2: A 32 ASN : amide:sc= -3.03! C(o=-3.8!,f=-3.9!) 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= -8.19! C(o=-8.2!,f=-8.6!) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.513 F(o=-1.2,f=-0.51) USER MOD Single : A 9 SER OG : rot 35:sc= 0.103 USER MOD Single : A 11 SER OG : rot 16:sc= 0.547 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -1.81 (180deg=-3.06!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 22:sc= 0.217 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 25 SER OG : rot -100:sc= -0.6! USER MOD Single : A 26 SER OG : rot 180:sc= -1.12! USER MOD Single : A 28 SER OG : rot 180:sc= 0.548 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -7.78! C(o=-7.8!,f=-16!) USER MOD Single : A 39 GLN : amide:sc= -0.0064 K(o=-0.0064,f=-1.8!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.598 USER MOD Single : A 44 SER OG : rot 180:sc= 0 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= -1.31! X(o=-1.3!,f=-0.89) USER MOD Single : A 54 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.089) 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 USER MOD Single : A 72 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.7) USER MOD Single : A 75 SER OG : rot 180:sc= -0.107 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0867) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0131 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -1.12 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 98 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.16) USER MOD Single : A 99 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.48) USER MOD Single : A 106 THR OG1 : rot -17:sc= 0.334 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 73.487 6.797 -11.947 1.00 0.00 N ATOM 38 CA MET A 3 74.625 5.892 -11.839 1.00 0.00 C ATOM 39 C MET A 3 75.504 6.300 -10.659 1.00 0.00 C ATOM 40 O MET A 3 75.356 7.401 -10.129 1.00 0.00 O ATOM 41 CB MET A 3 75.448 5.933 -13.131 1.00 0.00 C ATOM 42 CG MET A 3 74.779 5.128 -14.250 1.00 0.00 C ATOM 43 SD MET A 3 73.619 6.184 -15.155 1.00 0.00 S ATOM 44 CE MET A 3 73.194 4.993 -16.450 1.00 0.00 C ATOM 0 HA MET A 3 74.257 4.879 -11.679 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.573 6.967 -13.451 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.445 5.535 -12.941 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.535 4.736 -14.930 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.253 4.271 -13.830 1.00 0.00 H new ATOM 0 HE1 MET A 3 72.476 5.442 -17.136 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.094 4.715 -16.998 1.00 0.00 H new ATOM 0 HE3 MET A 3 72.756 4.104 -15.997 1.00 0.00 H new ATOM 54 N LEU A 4 76.435 5.434 -10.262 1.00 0.00 N ATOM 55 CA LEU A 4 77.342 5.727 -9.158 1.00 0.00 C ATOM 56 C LEU A 4 78.790 5.709 -9.633 1.00 0.00 C ATOM 57 O LEU A 4 79.197 4.837 -10.400 1.00 0.00 O ATOM 58 CB LEU A 4 77.158 4.672 -8.062 1.00 0.00 C ATOM 59 CG LEU A 4 75.785 4.823 -7.392 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.329 3.487 -6.793 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.855 5.886 -6.291 1.00 0.00 C ATOM 0 H LEU A 4 76.580 4.520 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 4 77.113 6.719 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.252 3.674 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.946 4.774 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 4 75.063 5.133 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.354 3.613 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.256 2.740 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.052 3.157 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.877 5.987 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.589 5.587 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.149 6.841 -6.726 1.00 0.00 H new ATOM 73 N THR A 5 79.555 6.699 -9.184 1.00 0.00 N ATOM 74 CA THR A 5 80.970 6.804 -9.523 1.00 0.00 C ATOM 75 C THR A 5 81.813 6.481 -8.293 1.00 0.00 C ATOM 76 O THR A 5 81.773 7.205 -7.298 1.00 0.00 O ATOM 77 CB THR A 5 81.261 8.222 -10.025 1.00 0.00 C ATOM 78 OG1 THR A 5 80.813 8.340 -11.367 1.00 0.00 O ATOM 79 CG2 THR A 5 82.760 8.528 -9.973 1.00 0.00 C ATOM 0 H THR A 5 79.215 7.446 -8.579 1.00 0.00 H new ATOM 0 HA THR A 5 81.222 6.093 -10.310 1.00 0.00 H new ATOM 0 HB THR A 5 80.739 8.930 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 5 80.995 9.246 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 82.937 9.541 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.113 8.443 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.298 7.819 -10.602 1.00 0.00 H new ATOM 87 N GLN A 6 82.666 5.467 -8.411 1.00 0.00 N ATOM 88 CA GLN A 6 83.531 5.061 -7.306 1.00 0.00 C ATOM 89 C GLN A 6 84.936 4.770 -7.829 1.00 0.00 C ATOM 90 O GLN A 6 85.175 4.840 -9.034 1.00 0.00 O ATOM 91 CB GLN A 6 82.949 3.834 -6.590 1.00 0.00 C ATOM 92 CG GLN A 6 81.480 3.634 -6.973 1.00 0.00 C ATOM 93 CD GLN A 6 80.909 2.424 -6.244 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.833 1.944 -6.598 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.569 1.896 -5.249 1.00 0.00 N ATOM 0 H GLN A 6 82.777 4.912 -9.259 1.00 0.00 H new ATOM 0 HA GLN A 6 83.590 5.875 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.523 2.946 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.035 3.961 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.906 4.525 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.393 3.494 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.461 2.297 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.193 1.082 -4.762 1.00 0.00 H new ATOM 104 N PRO A 7 85.832 4.338 -6.980 1.00 0.00 N ATOM 105 CA PRO A 7 87.220 3.987 -7.393 1.00 0.00 C ATOM 106 C PRO A 7 87.256 2.685 -8.187 1.00 0.00 C ATOM 107 O PRO A 7 86.404 1.815 -8.010 1.00 0.00 O ATOM 108 CB PRO A 7 88.008 3.865 -6.081 1.00 0.00 C ATOM 109 CG PRO A 7 87.091 4.290 -4.979 1.00 0.00 C ATOM 110 CD PRO A 7 85.662 4.218 -5.522 1.00 0.00 C ATOM 0 HA PRO A 7 87.647 4.741 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.346 2.840 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 7 88.898 4.494 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.206 3.640 -4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.327 5.303 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.179 3.279 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.042 5.022 -5.124 1.00 0.00 H new ATOM 118 N HIS A 8 88.285 2.532 -9.013 1.00 0.00 N ATOM 119 CA HIS A 8 88.467 1.310 -9.790 1.00 0.00 C ATOM 120 C HIS A 8 89.121 0.235 -8.925 1.00 0.00 C ATOM 121 O HIS A 8 88.741 -0.934 -8.986 1.00 0.00 O ATOM 122 CB HIS A 8 89.298 1.590 -11.052 1.00 0.00 C ATOM 123 CG HIS A 8 89.861 2.985 -11.016 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.275 4.215 -11.196 1.00 0.00 N flip ATOM 125 CD2 HIS A 8 91.175 3.242 -10.659 1.00 0.00 C flip ATOM 126 CE1 HIS A 8 90.227 5.217 -11.016 1.00 0.00 C flip ATOM 127 NE2 HIS A 8 91.353 4.574 -10.699 1.00 0.00 N flip ATOM 0 H HIS A 8 89.006 3.238 -9.162 1.00 0.00 H new ATOM 0 HA HIS A 8 87.491 0.945 -10.111 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.110 0.866 -11.128 1.00 0.00 H new ATOM 0 HB3 HIS A 8 88.676 1.466 -11.939 1.00 0.00 H new ATOM 0 HD2 HIS A 8 91.921 2.506 -10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 8 90.084 6.283 -11.112 1.00 0.00 H new ATOM 0 HE2 HIS A 8 92.242 5.038 -10.510 1.00 0.00 H new ATOM 135 N SER A 9 90.158 0.619 -8.187 1.00 0.00 N ATOM 136 CA SER A 9 90.878 -0.332 -7.349 1.00 0.00 C ATOM 137 C SER A 9 91.827 0.398 -6.404 1.00 0.00 C ATOM 138 O SER A 9 92.295 1.496 -6.705 1.00 0.00 O ATOM 139 CB SER A 9 91.672 -1.305 -8.223 1.00 0.00 C ATOM 140 OG SER A 9 92.381 -2.215 -7.394 1.00 0.00 O ATOM 0 H SER A 9 90.516 1.574 -8.152 1.00 0.00 H new ATOM 0 HA SER A 9 90.151 -0.888 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 9 90.998 -1.849 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.368 -0.756 -8.857 1.00 0.00 H new ATOM 0 HG SER A 9 91.849 -2.412 -6.595 1.00 0.00 H new ATOM 146 N VAL A 10 92.102 -0.217 -5.258 1.00 0.00 N ATOM 147 CA VAL A 10 92.956 0.403 -4.251 1.00 0.00 C ATOM 148 C VAL A 10 93.406 -0.631 -3.224 1.00 0.00 C ATOM 149 O VAL A 10 92.825 -1.711 -3.124 1.00 0.00 O ATOM 150 CB VAL A 10 92.210 1.546 -3.554 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.843 1.080 -3.035 1.00 0.00 C ATOM 152 CG2 VAL A 10 93.061 2.078 -2.397 1.00 0.00 C ATOM 0 H VAL A 10 91.748 -1.139 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 10 93.838 0.808 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 10 92.038 2.342 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.337 1.912 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.238 0.728 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.982 0.269 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.532 2.891 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.246 1.276 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 10 94.011 2.446 -2.784 1.00 0.00 H new ATOM 162 N SER A 11 94.485 -0.325 -2.510 1.00 0.00 N ATOM 163 CA SER A 11 95.017 -1.237 -1.502 1.00 0.00 C ATOM 164 C SER A 11 95.501 -0.468 -0.277 1.00 0.00 C ATOM 165 O SER A 11 95.713 0.743 -0.335 1.00 0.00 O ATOM 166 CB SER A 11 96.180 -2.039 -2.092 1.00 0.00 C ATOM 167 OG SER A 11 96.461 -3.157 -1.262 1.00 0.00 O ATOM 0 H SER A 11 95.007 0.545 -2.610 1.00 0.00 H new ATOM 0 HA SER A 11 94.219 -1.914 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.929 -2.375 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.064 -1.407 -2.178 1.00 0.00 H new ATOM 0 HG SER A 11 95.709 -3.309 -0.652 1.00 0.00 H new ATOM 173 N GLU A 12 95.638 -1.174 0.842 1.00 0.00 N ATOM 174 CA GLU A 12 96.097 -0.551 2.078 1.00 0.00 C ATOM 175 C GLU A 12 96.720 -1.593 3.001 1.00 0.00 C ATOM 176 O GLU A 12 96.329 -2.760 2.987 1.00 0.00 O ATOM 177 CB GLU A 12 94.918 0.133 2.772 1.00 0.00 C ATOM 178 CG GLU A 12 95.400 0.902 4.005 1.00 0.00 C ATOM 179 CD GLU A 12 96.291 2.064 3.577 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.752 3.119 3.288 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.494 1.873 3.519 1.00 0.00 O ATOM 0 H GLU A 12 95.439 -2.172 0.918 1.00 0.00 H new ATOM 0 HA GLU A 12 96.857 0.193 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.426 0.815 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.178 -0.612 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.545 1.276 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.951 0.235 4.668 1.00 0.00 H new ATOM 188 N SER A 13 97.709 -1.172 3.785 1.00 0.00 N ATOM 189 CA SER A 13 98.398 -2.090 4.685 1.00 0.00 C ATOM 190 C SER A 13 97.563 -2.320 5.944 1.00 0.00 C ATOM 191 O SER A 13 96.959 -1.377 6.456 1.00 0.00 O ATOM 192 CB SER A 13 99.767 -1.518 5.060 1.00 0.00 C ATOM 193 OG SER A 13 100.685 -1.775 4.007 1.00 0.00 O ATOM 0 H SER A 13 98.048 -0.211 3.815 1.00 0.00 H new ATOM 0 HA SER A 13 98.537 -3.045 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.690 -0.445 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.122 -1.970 5.986 1.00 0.00 H new ATOM 0 HG SER A 13 101.563 -1.409 4.242 1.00 0.00 H new ATOM 199 N PRO A 14 97.620 -3.484 6.539 1.00 0.00 N ATOM 200 CA PRO A 14 96.833 -3.769 7.771 1.00 0.00 C ATOM 201 C PRO A 14 97.240 -2.849 8.919 1.00 0.00 C ATOM 202 O PRO A 14 98.341 -2.298 8.925 1.00 0.00 O ATOM 203 CB PRO A 14 97.108 -5.243 8.103 1.00 0.00 C ATOM 204 CG PRO A 14 98.090 -5.759 7.098 1.00 0.00 C ATOM 205 CD PRO A 14 98.294 -4.687 6.023 1.00 0.00 C ATOM 0 HA PRO A 14 95.769 -3.588 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.507 -5.340 9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.185 -5.822 8.068 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.038 -5.996 7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.722 -6.681 6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.354 -4.500 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.866 -4.999 5.070 1.00 0.00 H new ATOM 213 N GLY A 15 96.355 -2.703 9.901 1.00 0.00 N ATOM 214 CA GLY A 15 96.644 -1.893 11.080 1.00 0.00 C ATOM 215 C GLY A 15 96.094 -0.480 10.916 1.00 0.00 C ATOM 216 O GLY A 15 95.728 0.172 11.894 1.00 0.00 O ATOM 0 H GLY A 15 95.431 -3.135 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.205 -2.358 11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.721 -1.852 11.243 1.00 0.00 H new ATOM 220 N LYS A 16 96.053 -0.005 9.675 1.00 0.00 N ATOM 221 CA LYS A 16 95.558 1.337 9.387 1.00 0.00 C ATOM 222 C LYS A 16 94.064 1.297 9.087 1.00 0.00 C ATOM 223 O LYS A 16 93.358 0.370 9.483 1.00 0.00 O ATOM 224 CB LYS A 16 96.315 1.940 8.198 1.00 0.00 C ATOM 225 CG LYS A 16 97.753 1.418 8.159 1.00 0.00 C ATOM 226 CD LYS A 16 98.490 1.785 9.450 1.00 0.00 C ATOM 227 CE LYS A 16 98.585 3.306 9.606 1.00 0.00 C ATOM 228 NZ LYS A 16 97.419 3.796 10.395 1.00 0.00 N ATOM 0 H LYS A 16 96.356 -0.528 8.854 1.00 0.00 H new ATOM 0 HA LYS A 16 95.724 1.962 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.805 1.688 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.318 3.027 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.750 0.336 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.277 1.840 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.968 1.359 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 99.490 1.352 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.515 3.574 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 16 98.601 3.783 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 97.683 4.666 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 96.625 3.995 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 97.135 3.069 11.083 1.00 0.00 H new ATOM 242 N THR A 17 93.596 2.328 8.392 1.00 0.00 N ATOM 243 CA THR A 17 92.197 2.420 7.986 1.00 0.00 C ATOM 244 C THR A 17 92.082 2.719 6.497 1.00 0.00 C ATOM 245 O THR A 17 93.061 3.078 5.842 1.00 0.00 O ATOM 246 CB THR A 17 91.482 3.527 8.761 1.00 0.00 C ATOM 247 OG1 THR A 17 92.150 4.762 8.547 1.00 0.00 O ATOM 248 CG2 THR A 17 91.501 3.194 10.254 1.00 0.00 C ATOM 0 H THR A 17 94.170 3.118 8.096 1.00 0.00 H new ATOM 0 HA THR A 17 91.731 1.458 8.202 1.00 0.00 H new ATOM 0 HB THR A 17 90.451 3.605 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.691 5.472 9.042 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.992 3.982 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.992 2.245 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.533 3.118 10.597 1.00 0.00 H new ATOM 256 N VAL A 18 90.867 2.583 5.978 1.00 0.00 N ATOM 257 CA VAL A 18 90.605 2.896 4.578 1.00 0.00 C ATOM 258 C VAL A 18 89.220 3.508 4.412 1.00 0.00 C ATOM 259 O VAL A 18 88.251 3.062 5.025 1.00 0.00 O ATOM 260 CB VAL A 18 90.713 1.619 3.742 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.682 0.602 4.236 1.00 0.00 C ATOM 262 CG2 VAL A 18 90.447 1.947 2.272 1.00 0.00 C ATOM 0 H VAL A 18 90.053 2.260 6.501 1.00 0.00 H new ATOM 0 HA VAL A 18 91.343 3.621 4.237 1.00 0.00 H new ATOM 0 HB VAL A 18 91.714 1.200 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.756 -0.309 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.874 0.369 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 18 88.681 1.020 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.524 1.037 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 18 89.446 2.365 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.181 2.673 1.922 1.00 0.00 H new ATOM 272 N THR A 19 89.130 4.533 3.570 1.00 0.00 N ATOM 273 CA THR A 19 87.868 5.220 3.328 1.00 0.00 C ATOM 274 C THR A 19 87.491 5.101 1.856 1.00 0.00 C ATOM 275 O THR A 19 88.234 5.535 0.977 1.00 0.00 O ATOM 276 CB THR A 19 88.003 6.687 3.744 1.00 0.00 C ATOM 277 OG1 THR A 19 88.000 6.775 5.162 1.00 0.00 O ATOM 278 CG2 THR A 19 86.837 7.503 3.183 1.00 0.00 C ATOM 0 H THR A 19 89.919 4.906 3.043 1.00 0.00 H new ATOM 0 HA THR A 19 87.076 4.762 3.920 1.00 0.00 H new ATOM 0 HB THR A 19 88.938 7.085 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.088 7.713 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 19 86.943 8.545 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.838 7.439 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 19 85.897 7.108 3.569 1.00 0.00 H new ATOM 286 N ILE A 20 86.290 4.590 1.605 1.00 0.00 N ATOM 287 CA ILE A 20 85.786 4.432 0.245 1.00 0.00 C ATOM 288 C ILE A 20 84.805 5.552 -0.081 1.00 0.00 C ATOM 289 O ILE A 20 84.037 5.969 0.784 1.00 0.00 O ATOM 290 CB ILE A 20 85.061 3.090 0.113 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.953 1.953 0.617 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.690 2.849 -1.352 1.00 0.00 C ATOM 293 CD1 ILE A 20 87.320 1.999 -0.068 1.00 0.00 C ATOM 0 H ILE A 20 85.644 4.277 2.330 1.00 0.00 H new ATOM 0 HA ILE A 20 86.629 4.468 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 20 84.154 3.117 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.078 2.033 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.474 0.994 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.174 1.893 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.036 3.649 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.595 2.832 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 20 87.940 1.183 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 20 87.191 1.896 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 20 87.804 2.951 0.150 1.00 0.00 H new ATOM 305 N SER A 21 84.944 6.136 -1.268 1.00 0.00 N ATOM 306 CA SER A 21 84.059 7.209 -1.712 1.00 0.00 C ATOM 307 C SER A 21 83.123 6.713 -2.812 1.00 0.00 C ATOM 308 O SER A 21 83.563 6.064 -3.759 1.00 0.00 O ATOM 309 CB SER A 21 84.904 8.378 -2.224 1.00 0.00 C ATOM 310 OG SER A 21 85.661 7.965 -3.353 1.00 0.00 O ATOM 0 H SER A 21 85.665 5.882 -1.943 1.00 0.00 H new ATOM 0 HA SER A 21 83.449 7.540 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.259 9.215 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.570 8.730 -1.436 1.00 0.00 H new ATOM 0 HG SER A 21 85.240 7.179 -3.759 1.00 0.00 H new ATOM 316 N CYS A 22 81.849 7.088 -2.734 1.00 0.00 N ATOM 317 CA CYS A 22 80.848 6.704 -3.731 1.00 0.00 C ATOM 318 C CYS A 22 80.045 7.961 -4.079 1.00 0.00 C ATOM 319 O CYS A 22 79.537 8.636 -3.184 1.00 0.00 O ATOM 320 CB CYS A 22 79.941 5.579 -3.186 1.00 0.00 C ATOM 321 SG CYS A 22 80.425 3.918 -3.756 1.00 0.00 S ATOM 0 H CYS A 22 81.479 7.666 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 22 81.324 6.309 -4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.962 5.601 -2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.912 5.773 -3.489 1.00 0.00 H new ATOM 326 N THR A 23 80.059 8.376 -5.347 1.00 0.00 N ATOM 327 CA THR A 23 79.335 9.570 -5.786 1.00 0.00 C ATOM 328 C THR A 23 78.156 9.182 -6.673 1.00 0.00 C ATOM 329 O THR A 23 78.297 8.360 -7.577 1.00 0.00 O ATOM 330 CB THR A 23 80.261 10.520 -6.555 1.00 0.00 C ATOM 331 OG1 THR A 23 81.204 11.094 -5.661 1.00 0.00 O ATOM 332 CG2 THR A 23 79.455 11.646 -7.211 1.00 0.00 C ATOM 0 H THR A 23 80.567 7.899 -6.092 1.00 0.00 H new ATOM 0 HA THR A 23 78.965 10.081 -4.897 1.00 0.00 H new ATOM 0 HB THR A 23 80.774 9.948 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.796 11.699 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.130 12.309 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.732 11.219 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.929 12.212 -6.442 1.00 0.00 H new ATOM 340 N GLY A 24 77.026 9.859 -6.485 1.00 0.00 N ATOM 341 CA GLY A 24 75.820 9.580 -7.258 1.00 0.00 C ATOM 342 C GLY A 24 75.490 10.738 -8.193 1.00 0.00 C ATOM 343 O GLY A 24 75.817 11.890 -7.910 1.00 0.00 O ATOM 0 H GLY A 24 76.921 10.608 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 24 75.959 8.668 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 74.983 9.404 -6.582 1.00 0.00 H new ATOM 347 N SER A 25 74.862 10.420 -9.321 1.00 0.00 N ATOM 348 CA SER A 25 74.510 11.427 -10.319 1.00 0.00 C ATOM 349 C SER A 25 73.008 11.696 -10.311 1.00 0.00 C ATOM 350 O SER A 25 72.269 11.130 -9.505 1.00 0.00 O ATOM 351 CB SER A 25 74.936 10.949 -11.709 1.00 0.00 C ATOM 352 OG SER A 25 74.260 11.708 -12.702 1.00 0.00 O ATOM 0 H SER A 25 74.585 9.470 -9.568 1.00 0.00 H new ATOM 0 HA SER A 25 75.031 12.352 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.014 11.056 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 25 74.706 9.890 -11.827 1.00 0.00 H new ATOM 0 HG SER A 25 73.501 11.193 -13.047 1.00 0.00 H new ATOM 358 N SER A 26 72.566 12.564 -11.216 1.00 0.00 N ATOM 359 CA SER A 26 71.151 12.904 -11.325 1.00 0.00 C ATOM 360 C SER A 26 70.669 13.605 -10.058 1.00 0.00 C ATOM 361 O SER A 26 70.413 14.809 -10.066 1.00 0.00 O ATOM 362 CB SER A 26 70.330 11.637 -11.593 1.00 0.00 C ATOM 363 OG SER A 26 69.449 11.373 -10.510 1.00 0.00 O ATOM 0 H SER A 26 73.167 13.045 -11.885 1.00 0.00 H new ATOM 0 HA SER A 26 71.016 13.591 -12.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 69.758 11.756 -12.513 1.00 0.00 H new ATOM 0 HB3 SER A 26 70.998 10.789 -11.740 1.00 0.00 H new ATOM 0 HG SER A 26 68.932 10.562 -10.699 1.00 0.00 H new ATOM 369 N GLY A 27 70.526 12.845 -8.976 1.00 0.00 N ATOM 370 CA GLY A 27 70.030 13.383 -7.714 1.00 0.00 C ATOM 371 C GLY A 27 71.139 13.400 -6.669 1.00 0.00 C ATOM 372 O GLY A 27 72.267 12.992 -6.945 1.00 0.00 O ATOM 0 H GLY A 27 70.748 11.850 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.650 14.393 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.195 12.779 -7.357 1.00 0.00 H new ATOM 376 N SER A 28 70.778 13.731 -5.433 1.00 0.00 N ATOM 377 CA SER A 28 71.743 13.751 -4.341 1.00 0.00 C ATOM 378 C SER A 28 71.706 12.425 -3.590 1.00 0.00 C ATOM 379 O SER A 28 70.636 11.874 -3.331 1.00 0.00 O ATOM 380 CB SER A 28 71.416 14.893 -3.377 1.00 0.00 C ATOM 381 OG SER A 28 71.935 14.592 -2.090 1.00 0.00 O ATOM 0 H SER A 28 69.828 13.988 -5.164 1.00 0.00 H new ATOM 0 HA SER A 28 72.740 13.903 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.844 15.826 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.337 15.037 -3.321 1.00 0.00 H new ATOM 0 HG SER A 28 71.726 15.325 -1.474 1.00 0.00 H new ATOM 387 N ILE A 29 72.878 11.973 -3.156 1.00 0.00 N ATOM 388 CA ILE A 29 72.965 10.692 -2.465 1.00 0.00 C ATOM 389 C ILE A 29 72.185 10.754 -1.157 1.00 0.00 C ATOM 390 O ILE A 29 72.074 9.759 -0.441 1.00 0.00 O ATOM 391 CB ILE A 29 74.430 10.349 -2.171 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.201 11.595 -1.717 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.093 9.792 -3.433 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.680 12.134 -0.383 1.00 0.00 C ATOM 0 H ILE A 29 73.765 12.464 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 29 72.538 9.920 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 29 74.452 9.606 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.259 11.352 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.119 12.370 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.134 9.549 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.568 8.891 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.049 10.538 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.253 13.016 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.628 12.402 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.787 11.368 0.385 1.00 0.00 H new ATOM 406 N ALA A 30 71.606 11.917 -0.876 1.00 0.00 N ATOM 407 CA ALA A 30 70.813 12.103 0.334 1.00 0.00 C ATOM 408 C ALA A 30 69.328 11.995 0.007 1.00 0.00 C ATOM 409 O ALA A 30 68.487 11.917 0.902 1.00 0.00 O ATOM 410 CB ALA A 30 71.103 13.479 0.936 1.00 0.00 C ATOM 0 H ALA A 30 71.671 12.744 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 30 71.079 11.328 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.508 13.613 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.162 13.552 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.846 14.254 0.214 1.00 0.00 H new ATOM 416 N SER A 31 69.016 12.009 -1.285 1.00 0.00 N ATOM 417 CA SER A 31 67.634 11.882 -1.732 1.00 0.00 C ATOM 418 C SER A 31 67.168 10.433 -1.634 1.00 0.00 C ATOM 419 O SER A 31 65.991 10.136 -1.837 1.00 0.00 O ATOM 420 CB SER A 31 67.497 12.375 -3.174 1.00 0.00 C ATOM 421 OG SER A 31 67.794 11.317 -4.072 1.00 0.00 O ATOM 0 H SER A 31 69.698 12.107 -2.037 1.00 0.00 H new ATOM 0 HA SER A 31 67.007 12.495 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.485 12.740 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.172 13.213 -3.348 1.00 0.00 H new ATOM 0 HG SER A 31 68.584 10.831 -3.755 1.00 0.00 H new ATOM 427 N ASN A 32 68.104 9.529 -1.354 1.00 0.00 N ATOM 428 CA ASN A 32 67.793 8.104 -1.281 1.00 0.00 C ATOM 429 C ASN A 32 68.709 7.430 -0.262 1.00 0.00 C ATOM 430 O ASN A 32 69.759 7.967 0.089 1.00 0.00 O ATOM 431 CB ASN A 32 67.942 7.447 -2.661 1.00 0.00 C ATOM 432 CG ASN A 32 68.007 8.505 -3.758 1.00 0.00 C ATOM 433 OD1 ASN A 32 69.082 9.031 -4.046 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.916 8.859 -4.380 1.00 0.00 N ATOM 0 H ASN A 32 69.082 9.757 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 32 66.758 7.983 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.845 6.837 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.101 6.778 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.952 9.573 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 32 66.027 8.421 -4.139 1.00 0.00 H new ATOM 441 N TYR A 33 68.345 6.219 0.150 1.00 0.00 N ATOM 442 CA TYR A 33 69.159 5.462 1.095 1.00 0.00 C ATOM 443 C TYR A 33 70.280 4.728 0.366 1.00 0.00 C ATOM 444 O TYR A 33 70.124 4.338 -0.792 1.00 0.00 O ATOM 445 CB TYR A 33 68.286 4.444 1.832 1.00 0.00 C ATOM 446 CG TYR A 33 67.142 5.163 2.505 1.00 0.00 C ATOM 447 CD1 TYR A 33 65.960 5.407 1.796 1.00 0.00 C ATOM 448 CD2 TYR A 33 67.261 5.580 3.836 1.00 0.00 C ATOM 449 CE1 TYR A 33 64.903 6.086 2.412 1.00 0.00 C ATOM 450 CE2 TYR A 33 66.197 6.247 4.456 1.00 0.00 C ATOM 451 CZ TYR A 33 65.019 6.500 3.744 1.00 0.00 C ATOM 452 OH TYR A 33 63.974 7.164 4.353 1.00 0.00 O ATOM 0 H TYR A 33 67.496 5.743 -0.154 1.00 0.00 H new ATOM 0 HA TYR A 33 69.596 6.159 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.903 3.702 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.879 3.907 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 33 65.864 5.071 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.172 5.388 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.998 6.291 1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.286 6.566 5.484 1.00 0.00 H new ATOM 0 HH TYR A 33 64.218 7.379 5.277 1.00 0.00 H new ATOM 462 N VAL A 34 71.413 4.551 1.041 1.00 0.00 N ATOM 463 CA VAL A 34 72.562 3.871 0.449 1.00 0.00 C ATOM 464 C VAL A 34 73.065 2.762 1.367 1.00 0.00 C ATOM 465 O VAL A 34 73.116 2.923 2.586 1.00 0.00 O ATOM 466 CB VAL A 34 73.685 4.877 0.190 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.885 4.158 -0.432 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.180 5.956 -0.769 1.00 0.00 C ATOM 0 H VAL A 34 71.560 4.869 1.999 1.00 0.00 H new ATOM 0 HA VAL A 34 72.250 3.425 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 34 73.990 5.336 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.684 4.876 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.241 3.386 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.586 3.699 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.976 6.676 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.878 5.495 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.326 6.467 -0.325 1.00 0.00 H new ATOM 478 N GLN A 35 73.428 1.628 0.774 1.00 0.00 N ATOM 479 CA GLN A 35 73.946 0.494 1.532 1.00 0.00 C ATOM 480 C GLN A 35 75.258 0.011 0.924 1.00 0.00 C ATOM 481 O GLN A 35 75.521 0.228 -0.258 1.00 0.00 O ATOM 482 CB GLN A 35 72.930 -0.651 1.523 1.00 0.00 C ATOM 483 CG GLN A 35 71.509 -0.098 1.671 1.00 0.00 C ATOM 484 CD GLN A 35 70.942 0.294 0.310 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.936 -0.516 -0.617 1.00 0.00 O ATOM 486 NE2 GLN A 35 70.472 1.498 0.132 1.00 0.00 N ATOM 0 H GLN A 35 73.373 1.470 -0.232 1.00 0.00 H new ATOM 0 HA GLN A 35 74.122 0.814 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 35 73.014 -1.214 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.145 -1.344 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.868 -0.847 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.517 0.769 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 35 70.478 2.167 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.098 1.770 -0.777 1.00 0.00 H new ATOM 495 N TRP A 36 76.091 -0.620 1.747 1.00 0.00 N ATOM 496 CA TRP A 36 77.379 -1.126 1.281 1.00 0.00 C ATOM 497 C TRP A 36 77.364 -2.648 1.183 1.00 0.00 C ATOM 498 O TRP A 36 76.704 -3.328 1.969 1.00 0.00 O ATOM 499 CB TRP A 36 78.487 -0.692 2.241 1.00 0.00 C ATOM 500 CG TRP A 36 78.615 0.798 2.214 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.800 1.663 2.860 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.599 1.614 1.512 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.218 2.954 2.603 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.317 2.980 1.769 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.687 1.309 0.678 1.00 0.00 C ATOM 506 CZ2 TRP A 36 80.098 4.004 1.220 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.477 2.332 0.137 1.00 0.00 C ATOM 508 CH2 TRP A 36 81.173 3.676 0.387 1.00 0.00 C ATOM 0 H TRP A 36 75.899 -0.793 2.734 1.00 0.00 H new ATOM 0 HA TRP A 36 77.567 -0.713 0.290 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.260 -1.030 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.432 -1.154 1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.958 1.388 3.478 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.769 3.787 2.983 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.917 0.278 0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.873 5.038 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.328 2.082 -0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.767 4.458 -0.062 1.00 0.00 H new ATOM 519 N TYR A 37 78.127 -3.172 0.229 1.00 0.00 N ATOM 520 CA TYR A 37 78.210 -4.610 -0.009 1.00 0.00 C ATOM 521 C TYR A 37 79.662 -5.004 -0.267 1.00 0.00 C ATOM 522 O TYR A 37 80.461 -4.198 -0.744 1.00 0.00 O ATOM 523 CB TYR A 37 77.325 -4.996 -1.202 1.00 0.00 C ATOM 524 CG TYR A 37 76.035 -5.634 -0.738 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.108 -4.877 -0.010 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.802 -6.998 -0.959 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.927 -5.471 0.451 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.622 -7.592 -0.496 1.00 0.00 C ATOM 529 CZ TYR A 37 73.684 -6.828 0.208 1.00 0.00 C ATOM 530 OH TYR A 37 72.511 -7.408 0.647 1.00 0.00 O ATOM 0 H TYR A 37 78.704 -2.614 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 37 77.853 -5.144 0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.103 -4.109 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.864 -5.687 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.304 -3.835 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.534 -7.592 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.203 -4.882 0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.435 -8.639 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 37 72.500 -8.355 0.396 1.00 0.00 H new ATOM 540 N GLN A 38 79.982 -6.262 0.019 1.00 0.00 N ATOM 541 CA GLN A 38 81.327 -6.784 -0.199 1.00 0.00 C ATOM 542 C GLN A 38 81.218 -8.149 -0.870 1.00 0.00 C ATOM 543 O GLN A 38 80.538 -9.038 -0.359 1.00 0.00 O ATOM 544 CB GLN A 38 82.044 -6.894 1.155 1.00 0.00 C ATOM 545 CG GLN A 38 83.339 -6.077 1.185 1.00 0.00 C ATOM 546 CD GLN A 38 84.414 -6.810 0.391 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.135 -7.855 -0.195 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.627 -6.330 0.341 1.00 0.00 N ATOM 0 H GLN A 38 79.326 -6.941 0.404 1.00 0.00 H new ATOM 0 HA GLN A 38 81.902 -6.119 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.379 -6.549 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.270 -7.940 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.168 -5.087 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.667 -5.931 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.853 -5.463 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.349 -6.822 -0.186 1.00 0.00 H new ATOM 557 N GLN A 39 82.032 -8.364 -1.901 1.00 0.00 N ATOM 558 CA GLN A 39 82.019 -9.628 -2.629 1.00 0.00 C ATOM 559 C GLN A 39 83.394 -10.283 -2.567 1.00 0.00 C ATOM 560 O GLN A 39 84.306 -9.910 -3.305 1.00 0.00 O ATOM 561 CB GLN A 39 81.636 -9.376 -4.089 1.00 0.00 C ATOM 562 CG GLN A 39 81.702 -10.693 -4.862 1.00 0.00 C ATOM 563 CD GLN A 39 81.085 -10.521 -6.247 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.523 -9.469 -6.550 1.00 0.00 O ATOM 565 NE2 GLN A 39 81.110 -11.517 -7.090 1.00 0.00 N ATOM 0 H GLN A 39 82.706 -7.682 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 39 81.288 -10.294 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 39 80.631 -8.957 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.312 -8.646 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.738 -11.017 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.172 -11.472 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 39 81.576 -12.388 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 39 80.663 -11.424 -8.002 1.00 0.00 H new ATOM 574 N ARG A 40 83.544 -11.226 -1.641 1.00 0.00 N ATOM 575 CA ARG A 40 84.811 -11.925 -1.456 1.00 0.00 C ATOM 576 C ARG A 40 84.892 -13.135 -2.386 1.00 0.00 C ATOM 577 O ARG A 40 84.005 -13.987 -2.345 1.00 0.00 O ATOM 578 CB ARG A 40 84.945 -12.368 0.004 1.00 0.00 C ATOM 579 CG ARG A 40 84.317 -11.308 0.910 1.00 0.00 C ATOM 580 CD ARG A 40 84.578 -11.659 2.376 1.00 0.00 C ATOM 581 NE ARG A 40 86.002 -11.902 2.589 1.00 0.00 N ATOM 582 CZ ARG A 40 86.465 -13.093 2.957 1.00 0.00 C ATOM 583 NH1 ARG A 40 86.326 -13.493 4.192 1.00 0.00 N ATOM 584 NH2 ARG A 40 87.027 -13.876 2.077 1.00 0.00 N ATOM 0 H ARG A 40 82.803 -11.524 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 40 85.630 -11.248 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.452 -13.329 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.995 -12.506 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 40 84.734 -10.327 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 40 83.244 -11.248 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 40 84.240 -10.846 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.005 -12.544 2.654 1.00 0.00 H new ATOM 0 HE ARG A 40 86.661 -11.136 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.863 -12.892 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.681 -14.406 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.111 -13.575 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 40 87.382 -14.789 2.360 1.00 0.00 H new ATOM 598 N PRO A 41 85.928 -13.288 -3.172 1.00 0.00 N ATOM 599 CA PRO A 41 86.038 -14.468 -4.074 1.00 0.00 C ATOM 600 C PRO A 41 85.994 -15.769 -3.277 1.00 0.00 C ATOM 601 O PRO A 41 86.639 -15.886 -2.236 1.00 0.00 O ATOM 602 CB PRO A 41 87.376 -14.304 -4.808 1.00 0.00 C ATOM 603 CG PRO A 41 87.973 -12.997 -4.384 1.00 0.00 C ATOM 604 CD PRO A 41 87.051 -12.351 -3.344 1.00 0.00 C ATOM 0 HA PRO A 41 85.206 -14.519 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.048 -15.127 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.225 -14.323 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.966 -13.154 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.092 -12.339 -5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.575 -12.190 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.700 -11.377 -3.683 1.00 0.00 H new ATOM 612 N GLY A 42 85.336 -16.779 -3.835 1.00 0.00 N ATOM 613 CA GLY A 42 85.300 -18.092 -3.203 1.00 0.00 C ATOM 614 C GLY A 42 84.271 -18.134 -2.078 1.00 0.00 C ATOM 615 O GLY A 42 84.010 -19.194 -1.508 1.00 0.00 O ATOM 0 H GLY A 42 84.825 -16.715 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 85.060 -18.851 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 86.286 -18.335 -2.807 1.00 0.00 H new ATOM 619 N SER A 43 83.622 -17.003 -1.817 1.00 0.00 N ATOM 620 CA SER A 43 82.597 -16.934 -0.780 1.00 0.00 C ATOM 621 C SER A 43 81.439 -16.057 -1.243 1.00 0.00 C ATOM 622 O SER A 43 81.540 -15.356 -2.249 1.00 0.00 O ATOM 623 CB SER A 43 83.187 -16.359 0.511 1.00 0.00 C ATOM 624 OG SER A 43 82.891 -14.973 0.602 1.00 0.00 O ATOM 0 H SER A 43 83.787 -16.124 -2.308 1.00 0.00 H new ATOM 0 HA SER A 43 82.231 -17.943 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 43 82.778 -16.885 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 43 84.266 -16.511 0.527 1.00 0.00 H new ATOM 0 HG SER A 43 83.270 -14.611 1.430 1.00 0.00 H new ATOM 630 N SER A 44 80.327 -16.122 -0.516 1.00 0.00 N ATOM 631 CA SER A 44 79.150 -15.342 -0.878 1.00 0.00 C ATOM 632 C SER A 44 79.275 -13.917 -0.342 1.00 0.00 C ATOM 633 O SER A 44 79.751 -13.723 0.777 1.00 0.00 O ATOM 634 CB SER A 44 77.893 -15.997 -0.301 1.00 0.00 C ATOM 635 OG SER A 44 77.990 -16.046 1.115 1.00 0.00 O ATOM 0 H SER A 44 80.217 -16.700 0.317 1.00 0.00 H new ATOM 0 HA SER A 44 79.074 -15.308 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.008 -15.433 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.778 -17.004 -0.703 1.00 0.00 H new ATOM 0 HG SER A 44 77.184 -16.464 1.484 1.00 0.00 H new ATOM 641 N PRO A 45 78.760 -12.933 -1.033 1.00 0.00 N ATOM 642 CA PRO A 45 78.883 -11.520 -0.577 1.00 0.00 C ATOM 643 C PRO A 45 78.189 -11.308 0.766 1.00 0.00 C ATOM 644 O PRO A 45 77.266 -12.043 1.118 1.00 0.00 O ATOM 645 CB PRO A 45 78.238 -10.676 -1.685 1.00 0.00 C ATOM 646 CG PRO A 45 77.726 -11.617 -2.731 1.00 0.00 C ATOM 647 CD PRO A 45 78.260 -13.017 -2.415 1.00 0.00 C ATOM 0 HA PRO A 45 79.923 -11.238 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 45 77.425 -10.072 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.965 -9.986 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.636 -11.619 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 45 78.053 -11.300 -3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 45 77.475 -13.768 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 45 79.054 -13.301 -3.105 1.00 0.00 H new ATOM 655 N THR A 46 78.640 -10.307 1.517 1.00 0.00 N ATOM 656 CA THR A 46 78.057 -9.996 2.820 1.00 0.00 C ATOM 657 C THR A 46 77.796 -8.499 2.953 1.00 0.00 C ATOM 658 O THR A 46 78.589 -7.678 2.492 1.00 0.00 O ATOM 659 CB THR A 46 79.009 -10.441 3.931 1.00 0.00 C ATOM 660 OG1 THR A 46 80.257 -9.783 3.776 1.00 0.00 O ATOM 661 CG2 THR A 46 79.214 -11.954 3.846 1.00 0.00 C ATOM 0 H THR A 46 79.410 -9.695 1.245 1.00 0.00 H new ATOM 0 HA THR A 46 77.110 -10.528 2.907 1.00 0.00 H new ATOM 0 HB THR A 46 78.583 -10.185 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.867 -10.066 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.892 -12.274 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.255 -12.458 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.641 -12.209 2.876 1.00 0.00 H new ATOM 669 N THR A 47 76.634 -8.153 3.496 1.00 0.00 N ATOM 670 CA THR A 47 76.306 -6.752 3.734 1.00 0.00 C ATOM 671 C THR A 47 77.265 -6.144 4.752 1.00 0.00 C ATOM 672 O THR A 47 77.295 -6.569 5.907 1.00 0.00 O ATOM 673 CB THR A 47 74.865 -6.632 4.235 1.00 0.00 C ATOM 674 OG1 THR A 47 74.020 -7.384 3.377 1.00 0.00 O ATOM 675 CG2 THR A 47 74.405 -5.170 4.226 1.00 0.00 C ATOM 0 H THR A 47 75.911 -8.815 3.777 1.00 0.00 H new ATOM 0 HA THR A 47 76.405 -6.206 2.796 1.00 0.00 H new ATOM 0 HB THR A 47 74.815 -7.009 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.058 -7.011 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.378 -5.109 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 47 75.052 -4.581 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.457 -4.778 3.210 1.00 0.00 H new ATOM 683 N VAL A 48 77.821 -4.987 4.407 1.00 0.00 N ATOM 684 CA VAL A 48 78.770 -4.318 5.292 1.00 0.00 C ATOM 685 C VAL A 48 78.062 -3.255 6.125 1.00 0.00 C ATOM 686 O VAL A 48 78.244 -3.195 7.340 1.00 0.00 O ATOM 687 CB VAL A 48 79.878 -3.656 4.468 1.00 0.00 C ATOM 688 CG1 VAL A 48 81.077 -3.333 5.367 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.300 -4.590 3.329 1.00 0.00 C ATOM 0 H VAL A 48 77.634 -4.497 3.532 1.00 0.00 H new ATOM 0 HA VAL A 48 79.205 -5.064 5.957 1.00 0.00 H new ATOM 0 HB VAL A 48 79.504 -2.725 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.861 -2.862 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.765 -2.653 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.459 -4.253 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.089 -4.117 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.669 -5.527 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.443 -4.791 2.687 1.00 0.00 H new ATOM 699 N ILE A 49 77.163 -2.509 5.490 1.00 0.00 N ATOM 700 CA ILE A 49 76.353 -1.523 6.196 1.00 0.00 C ATOM 701 C ILE A 49 74.962 -1.465 5.574 1.00 0.00 C ATOM 702 O ILE A 49 74.756 -1.905 4.444 1.00 0.00 O ATOM 703 CB ILE A 49 77.077 -0.169 6.153 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.036 -0.087 7.344 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.111 1.023 6.156 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.808 1.232 7.316 1.00 0.00 C ATOM 0 H ILE A 49 76.977 -2.569 4.489 1.00 0.00 H new ATOM 0 HA ILE A 49 76.223 -1.800 7.242 1.00 0.00 H new ATOM 0 HB ILE A 49 77.628 -0.110 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.477 -0.169 8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.733 -0.925 7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.680 1.952 6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.460 0.966 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.506 0.998 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.485 1.275 8.169 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.383 1.298 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.107 2.065 7.367 1.00 0.00 H new ATOM 718 N TYR A 50 74.054 -0.778 6.262 1.00 0.00 N ATOM 719 CA TYR A 50 72.681 -0.639 5.790 1.00 0.00 C ATOM 720 C TYR A 50 72.128 0.740 6.138 1.00 0.00 C ATOM 721 O TYR A 50 72.473 1.325 7.164 1.00 0.00 O ATOM 722 CB TYR A 50 71.812 -1.739 6.413 1.00 0.00 C ATOM 723 CG TYR A 50 70.744 -2.188 5.442 1.00 0.00 C ATOM 724 CD1 TYR A 50 71.119 -2.837 4.260 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.391 -1.938 5.704 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.144 -3.243 3.342 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.415 -2.347 4.788 1.00 0.00 C ATOM 728 CZ TYR A 50 68.791 -3.001 3.609 1.00 0.00 C ATOM 729 OH TYR A 50 67.827 -3.416 2.713 1.00 0.00 O ATOM 0 H TYR A 50 74.245 -0.309 7.148 1.00 0.00 H new ATOM 0 HA TYR A 50 72.667 -0.742 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.436 -2.588 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.348 -1.369 7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 50 72.163 -3.025 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.101 -1.430 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.435 -3.742 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.371 -2.158 4.991 1.00 0.00 H new ATOM 0 HH TYR A 50 66.940 -3.171 3.050 1.00 0.00 H new ATOM 739 N GLU A 51 71.275 1.250 5.255 1.00 0.00 N ATOM 740 CA GLU A 51 70.687 2.573 5.427 1.00 0.00 C ATOM 741 C GLU A 51 71.765 3.617 5.699 1.00 0.00 C ATOM 742 O GLU A 51 71.487 4.661 6.288 1.00 0.00 O ATOM 743 CB GLU A 51 69.702 2.553 6.600 1.00 0.00 C ATOM 744 CG GLU A 51 68.383 1.908 6.170 1.00 0.00 C ATOM 745 CD GLU A 51 67.384 1.961 7.321 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.766 2.413 8.388 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.233 1.626 7.097 1.00 0.00 O ATOM 0 H GLU A 51 70.975 0.764 4.410 1.00 0.00 H new ATOM 0 HA GLU A 51 70.166 2.836 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.131 1.999 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.521 3.569 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.979 2.428 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.553 0.874 5.871 1.00 0.00 H new ATOM 754 N ASP A 52 72.996 3.313 5.307 1.00 0.00 N ATOM 755 CA ASP A 52 74.096 4.255 5.467 1.00 0.00 C ATOM 756 C ASP A 52 74.081 4.857 6.867 1.00 0.00 C ATOM 757 O ASP A 52 74.696 5.893 7.121 1.00 0.00 O ATOM 758 CB ASP A 52 74.002 5.376 4.431 1.00 0.00 C ATOM 759 CG ASP A 52 72.789 6.258 4.704 1.00 0.00 C ATOM 760 OD1 ASP A 52 71.716 5.917 4.234 1.00 0.00 O ATOM 761 OD2 ASP A 52 72.945 7.246 5.403 1.00 0.00 O ATOM 0 H ASP A 52 73.257 2.425 4.878 1.00 0.00 H new ATOM 0 HA ASP A 52 75.029 3.711 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.910 5.979 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.930 4.949 3.431 1.00 0.00 H new ATOM 766 N ASN A 53 73.404 4.173 7.784 1.00 0.00 N ATOM 767 CA ASN A 53 73.296 4.630 9.167 1.00 0.00 C ATOM 768 C ASN A 53 74.141 3.743 10.074 1.00 0.00 C ATOM 769 O ASN A 53 74.774 4.223 11.013 1.00 0.00 O ATOM 770 CB ASN A 53 71.829 4.592 9.610 1.00 0.00 C ATOM 771 CG ASN A 53 71.107 5.873 9.202 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.318 6.413 9.978 1.00 0.00 O ATOM 773 ND2 ASN A 53 71.371 6.426 8.050 1.00 0.00 N ATOM 0 H ASN A 53 72.919 3.296 7.594 1.00 0.00 H new ATOM 0 HA ASN A 53 73.662 5.654 9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.332 3.731 9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.774 4.467 10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.924 7.306 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.025 5.979 7.407 1.00 0.00 H new ATOM 780 N GLN A 54 74.121 2.442 9.805 1.00 0.00 N ATOM 781 CA GLN A 54 74.880 1.498 10.615 1.00 0.00 C ATOM 782 C GLN A 54 74.748 0.087 10.051 1.00 0.00 C ATOM 783 O GLN A 54 74.151 -0.115 8.994 1.00 0.00 O ATOM 784 CB GLN A 54 74.365 1.520 12.056 1.00 0.00 C ATOM 785 CG GLN A 54 72.834 1.500 12.055 1.00 0.00 C ATOM 786 CD GLN A 54 72.315 1.003 13.401 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.399 1.594 13.973 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.826 -0.078 13.922 1.00 0.00 N ATOM 0 H GLN A 54 73.593 2.021 9.040 1.00 0.00 H new ATOM 0 HA GLN A 54 75.930 1.790 10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.750 0.659 12.603 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.727 2.411 12.569 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.450 2.500 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.472 0.854 11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.585 -0.565 13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.467 -0.437 14.807 1.00 0.00 H new ATOM 797 N ARG A 55 75.394 -0.868 10.712 1.00 0.00 N ATOM 798 CA ARG A 55 75.359 -2.262 10.281 1.00 0.00 C ATOM 799 C ARG A 55 74.528 -3.095 11.255 1.00 0.00 C ATOM 800 O ARG A 55 74.546 -2.824 12.456 1.00 0.00 O ATOM 801 CB ARG A 55 76.792 -2.799 10.233 1.00 0.00 C ATOM 802 CG ARG A 55 77.414 -2.780 11.638 1.00 0.00 C ATOM 803 CD ARG A 55 78.828 -2.194 11.615 1.00 0.00 C ATOM 804 NE ARG A 55 78.844 -0.921 10.902 1.00 0.00 N ATOM 805 CZ ARG A 55 78.576 0.225 11.520 1.00 0.00 C ATOM 806 NH1 ARG A 55 77.819 0.236 12.584 1.00 0.00 N ATOM 807 NH2 ARG A 55 79.163 1.321 11.127 1.00 0.00 N ATOM 0 H ARG A 55 75.950 -0.702 11.551 1.00 0.00 H new ATOM 0 HA ARG A 55 74.903 -2.327 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.794 -3.816 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.392 -2.194 9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.786 -2.193 12.308 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.445 -3.794 12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.185 -2.050 12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.510 -2.895 11.134 1.00 0.00 H new ATOM 0 HE ARG A 55 79.066 -0.910 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 55 77.431 -0.636 12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 55 77.615 1.117 13.056 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.823 1.296 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.962 2.204 11.597 1.00 0.00 H new ATOM 821 N PRO A 56 73.979 -4.203 10.828 1.00 0.00 N ATOM 822 CA PRO A 56 73.179 -5.077 11.732 1.00 0.00 C ATOM 823 C PRO A 56 74.000 -5.530 12.935 1.00 0.00 C ATOM 824 O PRO A 56 75.226 -5.427 12.928 1.00 0.00 O ATOM 825 CB PRO A 56 72.751 -6.263 10.855 1.00 0.00 C ATOM 826 CG PRO A 56 73.481 -6.119 9.558 1.00 0.00 C ATOM 827 CD PRO A 56 73.863 -4.644 9.428 1.00 0.00 C ATOM 0 HA PRO A 56 72.319 -4.556 12.152 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.998 -7.210 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.673 -6.258 10.696 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.369 -6.751 9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.852 -6.431 8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.800 -4.517 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.104 -4.077 8.889 1.00 0.00 H new ATOM 835 N SER A 57 73.316 -5.844 14.030 1.00 0.00 N ATOM 836 CA SER A 57 74.009 -6.319 15.222 1.00 0.00 C ATOM 837 C SER A 57 74.592 -7.706 14.976 1.00 0.00 C ATOM 838 O SER A 57 73.894 -8.607 14.511 1.00 0.00 O ATOM 839 CB SER A 57 73.050 -6.348 16.415 1.00 0.00 C ATOM 840 OG SER A 57 72.995 -5.054 16.996 1.00 0.00 O ATOM 0 H SER A 57 72.302 -5.780 14.118 1.00 0.00 H new ATOM 0 HA SER A 57 74.826 -5.634 15.449 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.056 -6.658 16.092 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.387 -7.077 17.152 1.00 0.00 H new ATOM 0 HG SER A 57 72.381 -5.064 17.760 1.00 0.00 H new ATOM 846 N GLY A 58 75.795 -7.923 15.498 1.00 0.00 N ATOM 847 CA GLY A 58 76.439 -9.231 15.426 1.00 0.00 C ATOM 848 C GLY A 58 77.606 -9.215 14.443 1.00 0.00 C ATOM 849 O GLY A 58 78.661 -9.787 14.719 1.00 0.00 O ATOM 0 H GLY A 58 76.345 -7.209 15.976 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.796 -9.519 16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.711 -9.982 15.119 1.00 0.00 H new ATOM 853 N VAL A 59 77.451 -8.493 13.338 1.00 0.00 N ATOM 854 CA VAL A 59 78.528 -8.391 12.360 1.00 0.00 C ATOM 855 C VAL A 59 79.616 -7.457 12.884 1.00 0.00 C ATOM 856 O VAL A 59 79.322 -6.522 13.629 1.00 0.00 O ATOM 857 CB VAL A 59 77.982 -7.862 11.030 1.00 0.00 C ATOM 858 CG1 VAL A 59 77.303 -8.996 10.258 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.968 -6.747 11.300 1.00 0.00 C ATOM 0 H VAL A 59 76.604 -7.977 13.099 1.00 0.00 H new ATOM 0 HA VAL A 59 78.954 -9.381 12.197 1.00 0.00 H new ATOM 0 HB VAL A 59 78.807 -7.468 10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.917 -8.613 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 59 78.027 -9.786 10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.480 -9.398 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.580 -6.371 10.353 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.146 -7.140 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.455 -5.935 11.840 1.00 0.00 H new ATOM 869 N PRO A 60 80.830 -7.596 12.421 1.00 0.00 N ATOM 870 CA PRO A 60 81.958 -6.751 12.906 1.00 0.00 C ATOM 871 C PRO A 60 81.607 -5.268 12.824 1.00 0.00 C ATOM 872 O PRO A 60 80.617 -4.895 12.195 1.00 0.00 O ATOM 873 CB PRO A 60 83.131 -7.111 11.983 1.00 0.00 C ATOM 874 CG PRO A 60 82.639 -8.140 11.015 1.00 0.00 C ATOM 875 CD PRO A 60 81.317 -8.685 11.559 1.00 0.00 C ATOM 0 HA PRO A 60 82.196 -6.933 13.954 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.489 -6.227 11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.970 -7.498 12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.496 -7.701 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.368 -8.942 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.614 -8.908 10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.463 -9.608 12.121 1.00 0.00 H new ATOM 883 N ASP A 61 82.400 -4.428 13.485 1.00 0.00 N ATOM 884 CA ASP A 61 82.150 -2.990 13.502 1.00 0.00 C ATOM 885 C ASP A 61 83.365 -2.225 12.991 1.00 0.00 C ATOM 886 O ASP A 61 83.605 -1.089 13.400 1.00 0.00 O ATOM 887 CB ASP A 61 81.830 -2.533 14.926 1.00 0.00 C ATOM 888 CG ASP A 61 80.763 -3.435 15.536 1.00 0.00 C ATOM 889 OD1 ASP A 61 81.073 -4.583 15.808 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.661 -2.957 15.749 1.00 0.00 O ATOM 0 H ASP A 61 83.221 -4.719 14.016 1.00 0.00 H new ATOM 0 HA ASP A 61 81.302 -2.784 12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.733 -2.559 15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.482 -1.500 14.916 1.00 0.00 H new ATOM 895 N ARG A 62 84.065 -2.802 12.019 1.00 0.00 N ATOM 896 CA ARG A 62 85.230 -2.138 11.445 1.00 0.00 C ATOM 897 C ARG A 62 84.815 -1.262 10.267 1.00 0.00 C ATOM 898 O ARG A 62 85.674 -0.774 9.535 1.00 0.00 O ATOM 899 CB ARG A 62 86.268 -3.169 10.985 1.00 0.00 C ATOM 900 CG ARG A 62 86.198 -4.429 11.855 1.00 0.00 C ATOM 901 CD ARG A 62 87.543 -5.167 11.842 1.00 0.00 C ATOM 902 NE ARG A 62 88.326 -4.812 10.664 1.00 0.00 N ATOM 903 CZ ARG A 62 87.993 -5.246 9.453 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.810 -6.522 9.249 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.971 -4.418 8.444 1.00 0.00 N ATOM 0 H ARG A 62 83.850 -3.715 11.617 1.00 0.00 H new ATOM 0 HA ARG A 62 85.677 -1.510 12.215 1.00 0.00 H new ATOM 0 HB2 ARG A 62 86.091 -3.430 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 62 87.267 -2.737 11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 62 85.935 -4.158 12.878 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.411 -5.088 11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.105 -4.921 12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.371 -6.243 11.857 1.00 0.00 H new ATOM 0 HE ARG A 62 89.148 -4.217 10.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 87.923 -7.183 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.554 -6.859 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.210 -3.436 8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.715 -4.753 7.515 1.00 0.00 H new ATOM 919 N PHE A 63 83.516 -1.203 9.988 1.00 0.00 N ATOM 920 CA PHE A 63 83.005 -0.434 8.856 1.00 0.00 C ATOM 921 C PHE A 63 82.140 0.720 9.349 1.00 0.00 C ATOM 922 O PHE A 63 81.403 0.578 10.324 1.00 0.00 O ATOM 923 CB PHE A 63 82.166 -1.343 7.956 1.00 0.00 C ATOM 924 CG PHE A 63 82.902 -2.642 7.726 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.807 -3.676 8.665 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.678 -2.813 6.574 1.00 0.00 C ATOM 927 CE1 PHE A 63 83.488 -4.880 8.451 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.350 -4.021 6.354 1.00 0.00 C ATOM 929 CZ PHE A 63 84.256 -5.055 7.293 1.00 0.00 C ATOM 0 H PHE A 63 82.796 -1.679 10.531 1.00 0.00 H new ATOM 0 HA PHE A 63 83.849 -0.034 8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.198 -1.538 8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 63 81.971 -0.850 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 63 82.208 -3.545 9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 63 83.758 -2.012 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.421 -5.675 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.941 -4.155 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.775 -5.987 7.125 1.00 0.00 H new ATOM 939 N SER A 64 82.189 1.844 8.639 1.00 0.00 N ATOM 940 CA SER A 64 81.371 2.995 9.014 1.00 0.00 C ATOM 941 C SER A 64 80.885 3.733 7.773 1.00 0.00 C ATOM 942 O SER A 64 81.698 4.186 6.970 1.00 0.00 O ATOM 943 CB SER A 64 82.176 3.945 9.905 1.00 0.00 C ATOM 944 OG SER A 64 81.286 4.733 10.681 1.00 0.00 O ATOM 0 H SER A 64 82.775 1.983 7.816 1.00 0.00 H new ATOM 0 HA SER A 64 80.503 2.636 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.838 3.376 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.808 4.588 9.292 1.00 0.00 H new ATOM 0 HG SER A 64 81.800 5.340 11.253 1.00 0.00 H new ATOM 950 N GLY A 65 79.571 3.900 7.658 1.00 0.00 N ATOM 951 CA GLY A 65 78.974 4.566 6.505 1.00 0.00 C ATOM 952 C GLY A 65 78.700 6.035 6.812 1.00 0.00 C ATOM 953 O GLY A 65 78.243 6.370 7.905 1.00 0.00 O ATOM 0 H GLY A 65 78.896 3.581 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.642 4.487 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.044 4.067 6.232 1.00 0.00 H new ATOM 957 N SER A 66 78.905 6.898 5.820 1.00 0.00 N ATOM 958 CA SER A 66 78.642 8.324 5.988 1.00 0.00 C ATOM 959 C SER A 66 78.134 8.928 4.683 1.00 0.00 C ATOM 960 O SER A 66 78.595 8.563 3.601 1.00 0.00 O ATOM 961 CB SER A 66 79.928 9.035 6.416 1.00 0.00 C ATOM 962 OG SER A 66 79.618 10.346 6.865 1.00 0.00 O ATOM 0 H SER A 66 79.250 6.637 4.897 1.00 0.00 H new ATOM 0 HA SER A 66 77.879 8.453 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.419 8.474 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.626 9.081 5.580 1.00 0.00 H new ATOM 0 HG SER A 66 80.441 10.801 7.141 1.00 0.00 H new ATOM 968 N ILE A 67 77.201 9.870 4.791 1.00 0.00 N ATOM 969 CA ILE A 67 76.617 10.519 3.620 1.00 0.00 C ATOM 970 C ILE A 67 76.878 12.021 3.648 1.00 0.00 C ATOM 971 O ILE A 67 76.858 12.644 4.709 1.00 0.00 O ATOM 972 CB ILE A 67 75.109 10.262 3.571 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.442 10.794 4.842 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.857 8.758 3.456 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.930 10.572 4.758 1.00 0.00 C ATOM 0 H ILE A 67 76.832 10.202 5.682 1.00 0.00 H new ATOM 0 HA ILE A 67 77.085 10.098 2.730 1.00 0.00 H new ATOM 0 HB ILE A 67 74.687 10.776 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.847 10.286 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.658 11.856 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.784 8.571 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.321 8.380 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.286 8.250 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.456 10.951 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.532 11.100 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.724 9.506 4.659 1.00 0.00 H new ATOM 987 N ASP A 68 77.130 12.595 2.475 1.00 0.00 N ATOM 988 CA ASP A 68 77.396 14.025 2.355 1.00 0.00 C ATOM 989 C ASP A 68 76.427 14.671 1.370 1.00 0.00 C ATOM 990 O ASP A 68 76.696 14.725 0.170 1.00 0.00 O ATOM 991 CB ASP A 68 78.828 14.236 1.862 1.00 0.00 C ATOM 992 CG ASP A 68 79.804 13.494 2.769 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.852 12.277 2.687 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.457 14.149 3.565 1.00 0.00 O ATOM 0 H ASP A 68 77.156 12.089 1.590 1.00 0.00 H new ATOM 0 HA ASP A 68 77.265 14.487 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.926 13.877 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.065 15.300 1.851 1.00 0.00 H new ATOM 999 N SER A 69 75.290 15.134 1.877 1.00 0.00 N ATOM 1000 CA SER A 69 74.284 15.755 1.023 1.00 0.00 C ATOM 1001 C SER A 69 74.872 16.967 0.309 1.00 0.00 C ATOM 1002 O SER A 69 74.567 17.225 -0.856 1.00 0.00 O ATOM 1003 CB SER A 69 73.081 16.190 1.863 1.00 0.00 C ATOM 1004 OG SER A 69 73.305 17.500 2.363 1.00 0.00 O ATOM 0 H SER A 69 75.043 15.092 2.866 1.00 0.00 H new ATOM 0 HA SER A 69 73.961 15.026 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.174 16.170 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.929 15.495 2.688 1.00 0.00 H new ATOM 0 HG SER A 69 72.535 17.781 2.900 1.00 0.00 H new ATOM 1010 N SER A 70 75.718 17.705 1.019 1.00 0.00 N ATOM 1011 CA SER A 70 76.341 18.895 0.455 1.00 0.00 C ATOM 1012 C SER A 70 77.272 18.529 -0.696 1.00 0.00 C ATOM 1013 O SER A 70 77.191 19.099 -1.783 1.00 0.00 O ATOM 1014 CB SER A 70 77.160 19.585 1.545 1.00 0.00 C ATOM 1015 OG SER A 70 76.410 19.622 2.751 1.00 0.00 O ATOM 0 H SER A 70 75.987 17.501 1.982 1.00 0.00 H new ATOM 0 HA SER A 70 75.558 19.554 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.097 19.051 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.419 20.597 1.234 1.00 0.00 H new ATOM 0 HG SER A 70 76.936 20.063 3.450 1.00 0.00 H new ATOM 1021 N SER A 71 78.163 17.576 -0.439 1.00 0.00 N ATOM 1022 CA SER A 71 79.123 17.157 -1.452 1.00 0.00 C ATOM 1023 C SER A 71 78.454 16.202 -2.432 1.00 0.00 C ATOM 1024 O SER A 71 79.006 15.892 -3.487 1.00 0.00 O ATOM 1025 CB SER A 71 80.316 16.452 -0.799 1.00 0.00 C ATOM 1026 OG SER A 71 81.337 16.258 -1.766 1.00 0.00 O ATOM 0 H SER A 71 78.240 17.085 0.452 1.00 0.00 H new ATOM 0 HA SER A 71 79.476 18.042 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.695 17.048 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.004 15.493 -0.386 1.00 0.00 H new ATOM 0 HG SER A 71 80.932 16.154 -2.653 1.00 0.00 H new ATOM 1032 N ASN A 72 77.220 15.820 -2.119 1.00 0.00 N ATOM 1033 CA ASN A 72 76.461 14.965 -3.023 1.00 0.00 C ATOM 1034 C ASN A 72 77.214 13.662 -3.276 1.00 0.00 C ATOM 1035 O ASN A 72 77.319 13.210 -4.416 1.00 0.00 O ATOM 1036 CB ASN A 72 76.214 15.689 -4.349 1.00 0.00 C ATOM 1037 CG ASN A 72 75.041 15.058 -5.094 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.060 15.738 -5.396 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.059 13.783 -5.373 1.00 0.00 N ATOM 0 H ASN A 72 76.732 16.083 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 72 75.502 14.734 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.008 16.743 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.111 15.644 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.261 13.352 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.871 13.218 -5.124 1.00 0.00 H new ATOM 1046 N SER A 73 77.877 13.151 -2.242 1.00 0.00 N ATOM 1047 CA SER A 73 78.649 11.920 -2.380 1.00 0.00 C ATOM 1048 C SER A 73 78.687 11.141 -1.070 1.00 0.00 C ATOM 1049 O SER A 73 78.751 11.721 0.014 1.00 0.00 O ATOM 1050 CB SER A 73 80.081 12.250 -2.808 1.00 0.00 C ATOM 1051 OG SER A 73 80.864 12.517 -1.655 1.00 0.00 O ATOM 0 H SER A 73 77.896 13.565 -1.310 1.00 0.00 H new ATOM 0 HA SER A 73 78.164 11.304 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.507 11.417 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.085 13.114 -3.472 1.00 0.00 H new ATOM 0 HG SER A 73 81.782 12.727 -1.925 1.00 0.00 H new ATOM 1057 N ALA A 74 78.653 9.817 -1.173 1.00 0.00 N ATOM 1058 CA ALA A 74 78.594 8.968 0.012 1.00 0.00 C ATOM 1059 C ALA A 74 79.941 8.284 0.203 1.00 0.00 C ATOM 1060 O ALA A 74 80.644 8.004 -0.767 1.00 0.00 O ATOM 1061 CB ALA A 74 77.503 7.907 -0.158 1.00 0.00 C ATOM 0 H ALA A 74 78.665 9.311 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 74 78.362 9.580 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.466 7.278 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.539 8.396 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.727 7.291 -1.029 1.00 0.00 H new ATOM 1067 N SER A 75 80.349 8.123 1.457 1.00 0.00 N ATOM 1068 CA SER A 75 81.668 7.577 1.753 1.00 0.00 C ATOM 1069 C SER A 75 81.642 6.780 3.051 1.00 0.00 C ATOM 1070 O SER A 75 80.892 7.110 3.970 1.00 0.00 O ATOM 1071 CB SER A 75 82.684 8.712 1.887 1.00 0.00 C ATOM 1072 OG SER A 75 82.502 9.639 0.826 1.00 0.00 O ATOM 0 H SER A 75 79.792 8.360 2.278 1.00 0.00 H new ATOM 0 HA SER A 75 81.954 6.917 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.561 9.213 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.698 8.312 1.864 1.00 0.00 H new ATOM 0 HG SER A 75 83.152 10.367 0.913 1.00 0.00 H new ATOM 1078 N LEU A 76 82.341 5.649 3.055 1.00 0.00 N ATOM 1079 CA LEU A 76 82.439 4.809 4.245 1.00 0.00 C ATOM 1080 C LEU A 76 83.836 4.903 4.854 1.00 0.00 C ATOM 1081 O LEU A 76 84.831 4.810 4.138 1.00 0.00 O ATOM 1082 CB LEU A 76 82.038 3.370 3.892 1.00 0.00 C ATOM 1083 CG LEU A 76 82.854 2.321 4.660 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.115 0.978 4.636 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.267 2.176 4.075 1.00 0.00 C ATOM 0 H LEU A 76 82.849 5.292 2.246 1.00 0.00 H new ATOM 0 HA LEU A 76 81.746 5.164 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 76 80.979 3.229 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.169 3.213 2.821 1.00 0.00 H new ATOM 0 HG LEU A 76 82.962 2.652 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.695 0.234 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.138 1.092 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 76 81.986 0.652 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.820 1.426 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.199 1.867 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.786 3.132 4.137 1.00 0.00 H new ATOM 1097 N THR A 77 83.902 4.985 6.180 1.00 0.00 N ATOM 1098 CA THR A 77 85.169 4.923 6.902 1.00 0.00 C ATOM 1099 C THR A 77 85.309 3.586 7.624 1.00 0.00 C ATOM 1100 O THR A 77 84.487 3.235 8.470 1.00 0.00 O ATOM 1101 CB THR A 77 85.237 6.075 7.910 1.00 0.00 C ATOM 1102 OG1 THR A 77 85.396 7.299 7.209 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.415 5.885 8.867 1.00 0.00 C ATOM 0 H THR A 77 83.085 5.096 6.781 1.00 0.00 H new ATOM 0 HA THR A 77 85.989 5.015 6.189 1.00 0.00 H new ATOM 0 HB THR A 77 84.314 6.090 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 77 86.148 7.223 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.446 6.713 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.295 4.948 9.410 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.345 5.858 8.299 1.00 0.00 H new ATOM 1111 N ILE A 78 86.392 2.868 7.342 1.00 0.00 N ATOM 1112 CA ILE A 78 86.640 1.573 7.967 1.00 0.00 C ATOM 1113 C ILE A 78 87.752 1.708 9.002 1.00 0.00 C ATOM 1114 O ILE A 78 88.901 1.962 8.648 1.00 0.00 O ATOM 1115 CB ILE A 78 87.028 0.586 6.862 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.786 -0.067 6.247 1.00 0.00 C ATOM 1117 CG2 ILE A 78 87.981 -0.506 7.361 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.125 -0.642 4.869 1.00 0.00 C ATOM 0 H ILE A 78 87.113 3.162 6.683 1.00 0.00 H new ATOM 0 HA ILE A 78 85.751 1.210 8.483 1.00 0.00 H new ATOM 0 HB ILE A 78 87.549 1.168 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.420 -0.859 6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.986 0.667 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.225 -1.179 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.895 -0.047 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.502 -1.069 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.236 -1.104 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.470 0.159 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.911 -1.391 4.970 1.00 0.00 H new ATOM 1130 N SER A 79 87.450 1.318 10.236 1.00 0.00 N ATOM 1131 CA SER A 79 88.431 1.374 11.314 1.00 0.00 C ATOM 1132 C SER A 79 89.276 0.104 11.340 1.00 0.00 C ATOM 1133 O SER A 79 88.767 -0.987 11.092 1.00 0.00 O ATOM 1134 CB SER A 79 87.709 1.546 12.652 1.00 0.00 C ATOM 1135 OG SER A 79 87.261 2.888 12.771 1.00 0.00 O ATOM 0 H SER A 79 86.536 0.961 10.514 1.00 0.00 H new ATOM 0 HA SER A 79 89.092 2.223 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 79 86.863 0.861 12.713 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.380 1.299 13.475 1.00 0.00 H new ATOM 0 HG SER A 79 86.796 3.003 13.626 1.00 0.00 H new ATOM 1141 N GLY A 80 90.563 0.254 11.641 1.00 0.00 N ATOM 1142 CA GLY A 80 91.475 -0.879 11.760 1.00 0.00 C ATOM 1143 C GLY A 80 91.129 -2.012 10.797 1.00 0.00 C ATOM 1144 O GLY A 80 90.517 -3.002 11.196 1.00 0.00 O ATOM 0 H GLY A 80 91.001 1.160 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.494 -0.543 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.450 -1.255 12.783 1.00 0.00 H new ATOM 1148 N LEU A 81 91.462 -1.838 9.522 1.00 0.00 N ATOM 1149 CA LEU A 81 91.202 -2.878 8.532 1.00 0.00 C ATOM 1150 C LEU A 81 92.120 -4.077 8.754 1.00 0.00 C ATOM 1151 O LEU A 81 93.228 -3.935 9.268 1.00 0.00 O ATOM 1152 CB LEU A 81 91.322 -2.313 7.109 1.00 0.00 C ATOM 1153 CG LEU A 81 92.753 -2.379 6.564 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.776 -1.884 5.116 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.673 -1.493 7.408 1.00 0.00 C ATOM 0 H LEU A 81 91.907 -0.998 9.153 1.00 0.00 H new ATOM 0 HA LEU A 81 90.178 -3.230 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.659 -2.868 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.983 -1.277 7.104 1.00 0.00 H new ATOM 0 HG LEU A 81 93.100 -3.411 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.795 -1.932 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.128 -2.513 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.422 -0.854 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.688 -1.545 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.321 -0.462 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.666 -1.841 8.441 1.00 0.00 H new ATOM 1167 N LYS A 82 91.716 -5.230 8.227 1.00 0.00 N ATOM 1168 CA LYS A 82 92.527 -6.441 8.308 1.00 0.00 C ATOM 1169 C LYS A 82 92.445 -7.213 6.995 1.00 0.00 C ATOM 1170 O LYS A 82 91.520 -7.011 6.209 1.00 0.00 O ATOM 1171 CB LYS A 82 92.019 -7.321 9.453 1.00 0.00 C ATOM 1172 CG LYS A 82 92.447 -6.722 10.796 1.00 0.00 C ATOM 1173 CD LYS A 82 91.692 -7.383 11.953 1.00 0.00 C ATOM 1174 CE LYS A 82 92.335 -8.723 12.320 1.00 0.00 C ATOM 1175 NZ LYS A 82 93.572 -8.481 13.113 1.00 0.00 N ATOM 0 H LYS A 82 90.829 -5.351 7.738 1.00 0.00 H new ATOM 0 HA LYS A 82 93.565 -6.164 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.933 -7.400 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.416 -8.331 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.520 -6.855 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.256 -5.649 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 82 91.694 -6.723 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.650 -7.538 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.635 -9.329 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.574 -9.283 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.867 -9.365 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.329 -8.150 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.384 -7.759 13.837 1.00 0.00 H new ATOM 1189 N THR A 83 93.373 -8.142 6.782 1.00 0.00 N ATOM 1190 CA THR A 83 93.361 -8.939 5.565 1.00 0.00 C ATOM 1191 C THR A 83 91.957 -9.451 5.267 1.00 0.00 C ATOM 1192 O THR A 83 91.620 -9.745 4.121 1.00 0.00 O ATOM 1193 CB THR A 83 94.333 -10.113 5.722 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.392 -9.733 6.589 1.00 0.00 O ATOM 1195 CG2 THR A 83 94.921 -10.508 4.366 1.00 0.00 C ATOM 0 H THR A 83 94.132 -8.358 7.428 1.00 0.00 H new ATOM 0 HA THR A 83 93.675 -8.315 4.728 1.00 0.00 H new ATOM 0 HB THR A 83 93.790 -10.963 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 83 96.015 -10.483 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 83 95.609 -11.343 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.116 -10.803 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.457 -9.660 3.941 1.00 0.00 H new ATOM 1203 N GLU A 84 91.215 -9.721 6.334 1.00 0.00 N ATOM 1204 CA GLU A 84 89.873 -10.270 6.194 1.00 0.00 C ATOM 1205 C GLU A 84 89.028 -9.374 5.294 1.00 0.00 C ATOM 1206 O GLU A 84 87.981 -9.791 4.800 1.00 0.00 O ATOM 1207 CB GLU A 84 89.221 -10.380 7.576 1.00 0.00 C ATOM 1208 CG GLU A 84 88.051 -11.365 7.526 1.00 0.00 C ATOM 1209 CD GLU A 84 87.399 -11.461 8.902 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.057 -10.424 9.445 1.00 0.00 O ATOM 1211 OE2 GLU A 84 87.237 -12.570 9.384 1.00 0.00 O ATOM 0 H GLU A 84 91.516 -9.570 7.297 1.00 0.00 H new ATOM 0 HA GLU A 84 89.938 -11.260 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.956 -10.713 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.869 -9.401 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.319 -11.037 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.403 -12.347 7.211 1.00 0.00 H new ATOM 1218 N ASP A 85 89.511 -8.159 5.045 1.00 0.00 N ATOM 1219 CA ASP A 85 88.811 -7.232 4.160 1.00 0.00 C ATOM 1220 C ASP A 85 89.280 -7.413 2.720 1.00 0.00 C ATOM 1221 O ASP A 85 88.631 -6.931 1.791 1.00 0.00 O ATOM 1222 CB ASP A 85 89.053 -5.786 4.607 1.00 0.00 C ATOM 1223 CG ASP A 85 88.084 -5.393 5.717 1.00 0.00 C ATOM 1224 OD1 ASP A 85 87.543 -6.286 6.349 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.819 -4.210 5.847 1.00 0.00 O ATOM 0 H ASP A 85 90.378 -7.795 5.440 1.00 0.00 H new ATOM 0 HA ASP A 85 87.744 -7.447 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.079 -5.676 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.933 -5.113 3.758 1.00 0.00 H new ATOM 1230 N GLU A 86 90.363 -8.160 2.526 1.00 0.00 N ATOM 1231 CA GLU A 86 90.849 -8.407 1.174 1.00 0.00 C ATOM 1232 C GLU A 86 89.721 -8.943 0.299 1.00 0.00 C ATOM 1233 O GLU A 86 89.470 -10.148 0.272 1.00 0.00 O ATOM 1234 CB GLU A 86 92.000 -9.415 1.205 1.00 0.00 C ATOM 1235 CG GLU A 86 92.588 -9.571 -0.200 1.00 0.00 C ATOM 1236 CD GLU A 86 93.710 -10.605 -0.183 1.00 0.00 C ATOM 1237 OE1 GLU A 86 93.853 -11.277 0.825 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.368 -10.751 -1.200 1.00 0.00 O ATOM 0 H GLU A 86 90.909 -8.596 3.269 1.00 0.00 H new ATOM 0 HA GLU A 86 91.208 -7.467 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.772 -9.079 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.643 -10.378 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 86 91.809 -9.879 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.970 -8.613 -0.552 1.00 0.00 H new ATOM 1245 N ALA A 87 89.067 -8.056 -0.444 1.00 0.00 N ATOM 1246 CA ALA A 87 87.973 -8.473 -1.313 1.00 0.00 C ATOM 1247 C ALA A 87 87.433 -7.293 -2.115 1.00 0.00 C ATOM 1248 O ALA A 87 88.009 -6.206 -2.100 1.00 0.00 O ATOM 1249 CB ALA A 87 86.853 -9.081 -0.466 1.00 0.00 C ATOM 0 H ALA A 87 89.272 -7.057 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 87 88.350 -9.217 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.035 -9.393 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.236 -9.945 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.490 -8.338 0.244 1.00 0.00 H new ATOM 1255 N ASP A 88 86.338 -7.523 -2.834 1.00 0.00 N ATOM 1256 CA ASP A 88 85.726 -6.484 -3.656 1.00 0.00 C ATOM 1257 C ASP A 88 84.587 -5.796 -2.910 1.00 0.00 C ATOM 1258 O ASP A 88 83.873 -6.424 -2.129 1.00 0.00 O ATOM 1259 CB ASP A 88 85.196 -7.093 -4.955 1.00 0.00 C ATOM 1260 CG ASP A 88 86.337 -7.723 -5.748 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.050 -8.533 -5.178 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.436 -7.440 -6.930 1.00 0.00 O ATOM 0 H ASP A 88 85.856 -8.421 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 88 86.488 -5.739 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.441 -7.846 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.710 -6.323 -5.554 1.00 0.00 H new ATOM 1267 N TYR A 89 84.392 -4.514 -3.203 1.00 0.00 N ATOM 1268 CA TYR A 89 83.350 -3.706 -2.573 1.00 0.00 C ATOM 1269 C TYR A 89 82.292 -3.308 -3.598 1.00 0.00 C ATOM 1270 O TYR A 89 82.547 -3.316 -4.802 1.00 0.00 O ATOM 1271 CB TYR A 89 83.979 -2.451 -1.955 1.00 0.00 C ATOM 1272 CG TYR A 89 84.458 -2.737 -0.551 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.749 -3.235 -0.334 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.607 -2.499 0.535 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.197 -3.466 0.973 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.045 -2.758 1.839 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.332 -3.264 2.056 1.00 0.00 C ATOM 1278 OH TYR A 89 85.764 -3.525 3.340 1.00 0.00 O ATOM 0 H TYR A 89 84.953 -4.004 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 89 82.870 -4.294 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.814 -2.115 -2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.249 -1.641 -1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.398 -3.440 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.612 -2.115 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.209 -3.800 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.391 -2.568 2.677 1.00 0.00 H new ATOM 0 HH TYR A 89 86.730 -3.373 3.397 1.00 0.00 H new ATOM 1288 N TYR A 90 81.107 -2.953 -3.108 1.00 0.00 N ATOM 1289 CA TYR A 90 80.008 -2.531 -3.972 1.00 0.00 C ATOM 1290 C TYR A 90 79.103 -1.539 -3.242 1.00 0.00 C ATOM 1291 O TYR A 90 79.025 -1.556 -2.014 1.00 0.00 O ATOM 1292 CB TYR A 90 79.211 -3.763 -4.414 1.00 0.00 C ATOM 1293 CG TYR A 90 79.906 -4.456 -5.564 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.890 -5.422 -5.319 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.566 -4.126 -6.881 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.537 -6.052 -6.390 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.205 -4.764 -7.952 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.199 -5.718 -7.707 1.00 0.00 C ATOM 1299 OH TYR A 90 81.841 -6.332 -8.763 1.00 0.00 O ATOM 0 H TYR A 90 80.883 -2.949 -2.113 1.00 0.00 H new ATOM 0 HA TYR A 90 80.413 -2.031 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.103 -4.453 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.206 -3.466 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.150 -5.681 -4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.810 -3.379 -7.072 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.297 -6.796 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 90 79.930 -4.519 -8.967 1.00 0.00 H new ATOM 0 HH TYR A 90 81.486 -5.986 -9.608 1.00 0.00 H new ATOM 1309 N CYS A 91 78.426 -0.675 -3.999 1.00 0.00 N ATOM 1310 CA CYS A 91 77.544 0.354 -3.445 1.00 0.00 C ATOM 1311 C CYS A 91 76.127 0.089 -3.967 1.00 0.00 C ATOM 1312 O CYS A 91 75.962 -0.557 -5.003 1.00 0.00 O ATOM 1313 CB CYS A 91 78.018 1.762 -3.858 1.00 0.00 C ATOM 1314 SG CYS A 91 79.396 2.408 -2.856 1.00 0.00 S ATOM 0 H CYS A 91 78.474 -0.669 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 91 77.560 0.313 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.324 1.738 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.177 2.452 -3.787 1.00 0.00 H new ATOM 1319 N GLN A 92 75.102 0.418 -3.182 1.00 0.00 N ATOM 1320 CA GLN A 92 73.711 0.234 -3.599 1.00 0.00 C ATOM 1321 C GLN A 92 72.882 1.476 -3.284 1.00 0.00 C ATOM 1322 O GLN A 92 72.730 1.841 -2.119 1.00 0.00 O ATOM 1323 CB GLN A 92 73.085 -0.963 -2.876 1.00 0.00 C ATOM 1324 CG GLN A 92 73.804 -2.253 -3.277 1.00 0.00 C ATOM 1325 CD GLN A 92 73.126 -3.460 -2.636 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.033 -3.296 -1.942 1.00 0.00 O flip ATOM 1327 NE2 GLN A 92 73.584 -4.591 -2.804 1.00 0.00 N flip ATOM 0 H GLN A 92 75.209 0.815 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 92 73.713 0.057 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.150 -0.821 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.026 -1.035 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.798 -2.358 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.848 -2.207 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.438 -4.720 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.109 -5.399 -2.401 1.00 0.00 H new ATOM 1336 N SER A 93 72.279 2.076 -4.309 1.00 0.00 N ATOM 1337 CA SER A 93 71.469 3.281 -4.141 1.00 0.00 C ATOM 1338 C SER A 93 70.053 3.061 -4.666 1.00 0.00 C ATOM 1339 O SER A 93 69.796 2.105 -5.397 1.00 0.00 O ATOM 1340 CB SER A 93 72.111 4.450 -4.891 1.00 0.00 C ATOM 1341 OG SER A 93 72.142 4.167 -6.282 1.00 0.00 O ATOM 0 H SER A 93 72.337 1.744 -5.272 1.00 0.00 H new ATOM 0 HA SER A 93 71.418 3.510 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.547 5.365 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.122 4.620 -4.522 1.00 0.00 H new ATOM 0 HG SER A 93 72.552 4.918 -6.760 1.00 0.00 H new ATOM 1347 N TYR A 94 69.146 3.975 -4.330 1.00 0.00 N ATOM 1348 CA TYR A 94 67.762 3.899 -4.790 1.00 0.00 C ATOM 1349 C TYR A 94 67.389 5.163 -5.559 1.00 0.00 C ATOM 1350 O TYR A 94 67.773 6.270 -5.184 1.00 0.00 O ATOM 1351 CB TYR A 94 66.826 3.738 -3.588 1.00 0.00 C ATOM 1352 CG TYR A 94 66.826 2.301 -3.121 1.00 0.00 C ATOM 1353 CD1 TYR A 94 67.935 1.786 -2.440 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.727 1.477 -3.392 1.00 0.00 C ATOM 1355 CE1 TYR A 94 67.942 0.450 -2.023 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.731 0.142 -2.968 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.842 -0.373 -2.290 1.00 0.00 C ATOM 1358 OH TYR A 94 66.848 -1.689 -1.876 1.00 0.00 O ATOM 0 H TYR A 94 69.346 4.781 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 94 67.660 3.038 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.146 4.392 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.815 4.040 -3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 94 68.786 2.420 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.876 1.871 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.797 0.054 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 94 64.877 -0.490 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 94 66.008 -2.119 -2.141 1.00 0.00 H new ATOM 1368 N ASP A 95 66.603 4.989 -6.618 1.00 0.00 N ATOM 1369 CA ASP A 95 66.163 6.110 -7.441 1.00 0.00 C ATOM 1370 C ASP A 95 64.778 6.574 -7.004 1.00 0.00 C ATOM 1371 O ASP A 95 64.024 5.817 -6.393 1.00 0.00 O ATOM 1372 CB ASP A 95 66.121 5.686 -8.910 1.00 0.00 C ATOM 1373 CG ASP A 95 67.431 5.004 -9.292 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.468 5.464 -8.843 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.376 4.016 -10.006 1.00 0.00 O ATOM 0 H ASP A 95 66.257 4.080 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 95 66.867 6.933 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.285 5.007 -9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.956 6.557 -9.544 1.00 0.00 H new ATOM 1380 N SER A 96 64.422 7.797 -7.383 1.00 0.00 N ATOM 1381 CA SER A 96 63.118 8.345 -7.029 1.00 0.00 C ATOM 1382 C SER A 96 62.004 7.419 -7.506 1.00 0.00 C ATOM 1383 O SER A 96 60.903 7.419 -6.955 1.00 0.00 O ATOM 1384 CB SER A 96 62.945 9.725 -7.666 1.00 0.00 C ATOM 1385 OG SER A 96 63.370 9.676 -9.020 1.00 0.00 O ATOM 0 H SER A 96 65.013 8.423 -7.931 1.00 0.00 H new ATOM 0 HA SER A 96 63.061 8.435 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 96 61.901 10.034 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.526 10.466 -7.118 1.00 0.00 H new ATOM 0 HG SER A 96 63.258 10.559 -9.430 1.00 0.00 H new ATOM 1391 N SER A 97 62.315 6.598 -8.504 1.00 0.00 N ATOM 1392 CA SER A 97 61.342 5.651 -9.035 1.00 0.00 C ATOM 1393 C SER A 97 61.138 4.493 -8.064 1.00 0.00 C ATOM 1394 O SER A 97 60.375 3.567 -8.337 1.00 0.00 O ATOM 1395 CB SER A 97 61.827 5.110 -10.382 1.00 0.00 C ATOM 1396 OG SER A 97 62.793 4.093 -10.162 1.00 0.00 O ATOM 0 H SER A 97 63.228 6.569 -8.959 1.00 0.00 H new ATOM 0 HA SER A 97 60.392 6.168 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.986 4.712 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 97 62.260 5.916 -10.975 1.00 0.00 H new ATOM 0 HG SER A 97 63.103 3.744 -11.024 1.00 0.00 H new ATOM 1402 N ASN A 98 61.826 4.560 -6.929 1.00 0.00 N ATOM 1403 CA ASN A 98 61.735 3.512 -5.919 1.00 0.00 C ATOM 1404 C ASN A 98 62.363 2.219 -6.430 1.00 0.00 C ATOM 1405 O ASN A 98 61.946 1.125 -6.050 1.00 0.00 O ATOM 1406 CB ASN A 98 60.266 3.272 -5.558 1.00 0.00 C ATOM 1407 CG ASN A 98 60.147 2.675 -4.159 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.022 1.460 -4.007 1.00 0.00 O ATOM 1409 ND2 ASN A 98 60.165 3.468 -3.123 1.00 0.00 N ATOM 0 H ASN A 98 62.452 5.328 -6.686 1.00 0.00 H new ATOM 0 HA ASN A 98 62.279 3.832 -5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.716 4.212 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 98 59.812 2.599 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 98 60.075 3.082 -2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 98 60.269 4.474 -3.253 1.00 0.00 H new ATOM 1416 N HIS A 99 63.403 2.351 -7.249 1.00 0.00 N ATOM 1417 CA HIS A 99 64.117 1.195 -7.781 1.00 0.00 C ATOM 1418 C HIS A 99 65.536 1.146 -7.223 1.00 0.00 C ATOM 1419 O HIS A 99 66.203 2.174 -7.106 1.00 0.00 O ATOM 1420 CB HIS A 99 64.161 1.285 -9.310 1.00 0.00 C ATOM 1421 CG HIS A 99 64.404 -0.077 -9.902 1.00 0.00 C ATOM 1422 ND1 HIS A 99 63.728 -1.201 -9.459 1.00 0.00 N ATOM 1423 CD2 HIS A 99 65.236 -0.511 -10.906 1.00 0.00 C ATOM 1424 CE1 HIS A 99 64.163 -2.248 -10.179 1.00 0.00 C ATOM 1425 NE2 HIS A 99 65.078 -1.885 -11.080 1.00 0.00 N ATOM 0 H HIS A 99 63.771 3.250 -7.559 1.00 0.00 H new ATOM 0 HA HIS A 99 63.595 0.285 -7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.221 1.691 -9.685 1.00 0.00 H new ATOM 0 HB3 HIS A 99 64.950 1.970 -9.619 1.00 0.00 H new ATOM 0 HD2 HIS A 99 65.909 0.116 -11.473 1.00 0.00 H new ATOM 0 HE1 HIS A 99 63.814 -3.261 -10.045 1.00 0.00 H new ATOM 0 HE2 HIS A 99 65.558 -2.484 -11.751 1.00 0.00 H new ATOM 1433 N VAL A 100 66.010 -0.061 -6.930 1.00 0.00 N ATOM 1434 CA VAL A 100 67.356 -0.235 -6.396 1.00 0.00 C ATOM 1435 C VAL A 100 68.391 -0.175 -7.516 1.00 0.00 C ATOM 1436 O VAL A 100 68.152 -0.665 -8.619 1.00 0.00 O ATOM 1437 CB VAL A 100 67.454 -1.579 -5.670 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.180 -2.716 -6.657 1.00 0.00 C ATOM 1439 CG2 VAL A 100 68.854 -1.742 -5.072 1.00 0.00 C ATOM 0 H VAL A 100 65.486 -0.928 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 100 67.559 0.573 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 100 66.716 -1.610 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.250 -3.672 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.180 -2.602 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.915 -2.684 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 100 68.920 -2.700 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.596 -1.707 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.044 -0.935 -4.364 1.00 0.00 H new ATOM 1449 N VAL A 101 69.560 0.381 -7.209 1.00 0.00 N ATOM 1450 CA VAL A 101 70.632 0.527 -8.188 1.00 0.00 C ATOM 1451 C VAL A 101 71.941 -0.014 -7.622 1.00 0.00 C ATOM 1452 O VAL A 101 72.078 -0.180 -6.410 1.00 0.00 O ATOM 1453 CB VAL A 101 70.808 2.006 -8.536 1.00 0.00 C ATOM 1454 CG1 VAL A 101 71.962 2.148 -9.530 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.518 2.553 -9.152 1.00 0.00 C ATOM 0 H VAL A 101 69.789 0.740 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 101 70.370 -0.036 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 101 71.031 2.572 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.096 3.199 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 101 72.878 1.764 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.736 1.582 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.650 3.607 -9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.283 1.996 -10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.701 2.446 -8.439 1.00 0.00 H new ATOM 1465 N PHE A 102 72.863 -0.377 -8.509 1.00 0.00 N ATOM 1466 CA PHE A 102 74.156 -0.919 -8.102 1.00 0.00 C ATOM 1467 C PHE A 102 75.293 -0.189 -8.809 1.00 0.00 C ATOM 1468 O PHE A 102 75.120 0.327 -9.913 1.00 0.00 O ATOM 1469 CB PHE A 102 74.219 -2.409 -8.447 1.00 0.00 C ATOM 1470 CG PHE A 102 72.959 -3.084 -7.962 1.00 0.00 C ATOM 1471 CD1 PHE A 102 71.774 -2.951 -8.695 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.971 -3.836 -6.781 1.00 0.00 C ATOM 1473 CE1 PHE A 102 70.604 -3.582 -8.255 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.802 -4.469 -6.342 1.00 0.00 C ATOM 1475 CZ PHE A 102 70.618 -4.338 -7.077 1.00 0.00 C ATOM 0 H PHE A 102 72.738 -0.305 -9.519 1.00 0.00 H new ATOM 0 HA PHE A 102 74.266 -0.782 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.325 -2.541 -9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.093 -2.866 -7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.762 -2.362 -9.600 1.00 0.00 H new ATOM 0 HD2 PHE A 102 73.882 -3.928 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 102 69.691 -3.485 -8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 102 71.814 -5.058 -5.437 1.00 0.00 H new ATOM 0 HZ PHE A 102 69.714 -4.821 -6.735 1.00 0.00 H new ATOM 1485 N GLY A 103 76.439 -0.093 -8.140 1.00 0.00 N ATOM 1486 CA GLY A 103 77.612 0.564 -8.709 1.00 0.00 C ATOM 1487 C GLY A 103 78.638 -0.459 -9.186 1.00 0.00 C ATOM 1488 O GLY A 103 78.548 -1.642 -8.861 1.00 0.00 O ATOM 0 H GLY A 103 76.580 -0.463 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.309 1.196 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.065 1.217 -7.963 1.00 0.00 H new ATOM 1492 N GLY A 104 79.654 0.023 -9.894 1.00 0.00 N ATOM 1493 CA GLY A 104 80.712 -0.848 -10.392 1.00 0.00 C ATOM 1494 C GLY A 104 81.482 -1.486 -9.241 1.00 0.00 C ATOM 1495 O GLY A 104 81.907 -2.638 -9.329 1.00 0.00 O ATOM 0 H GLY A 104 79.767 1.008 -10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.281 -1.626 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.396 -0.274 -11.018 1.00 0.00 H new ATOM 1499 N GLY A 105 81.624 -0.746 -8.146 1.00 0.00 N ATOM 1500 CA GLY A 105 82.323 -1.255 -6.971 1.00 0.00 C ATOM 1501 C GLY A 105 83.823 -0.994 -7.065 1.00 0.00 C ATOM 1502 O GLY A 105 84.314 -0.496 -8.078 1.00 0.00 O ATOM 0 H GLY A 105 81.266 0.204 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.924 -0.781 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.143 -2.326 -6.873 1.00 0.00 H new ATOM 1506 N THR A 106 84.548 -1.356 -6.011 1.00 0.00 N ATOM 1507 CA THR A 106 85.994 -1.157 -5.957 1.00 0.00 C ATOM 1508 C THR A 106 86.673 -2.432 -5.467 1.00 0.00 C ATOM 1509 O THR A 106 86.133 -3.151 -4.626 1.00 0.00 O ATOM 1510 CB THR A 106 86.315 0.020 -5.031 1.00 0.00 C ATOM 1511 OG1 THR A 106 86.117 1.230 -5.746 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.766 -0.030 -4.548 1.00 0.00 C ATOM 0 H THR A 106 84.155 -1.792 -5.177 1.00 0.00 H new ATOM 0 HA THR A 106 86.370 -0.929 -6.954 1.00 0.00 H new ATOM 0 HB THR A 106 85.659 -0.036 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.093 1.042 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.961 0.819 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.935 -0.957 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.437 0.012 -5.406 1.00 0.00 H new ATOM 1520 N LYS A 107 87.891 -2.666 -5.946 1.00 0.00 N ATOM 1521 CA LYS A 107 88.663 -3.833 -5.533 1.00 0.00 C ATOM 1522 C LYS A 107 89.671 -3.456 -4.453 1.00 0.00 C ATOM 1523 O LYS A 107 90.708 -2.859 -4.740 1.00 0.00 O ATOM 1524 CB LYS A 107 89.402 -4.421 -6.735 1.00 0.00 C ATOM 1525 CG LYS A 107 90.169 -5.670 -6.294 1.00 0.00 C ATOM 1526 CD LYS A 107 90.752 -6.370 -7.522 1.00 0.00 C ATOM 1527 CE LYS A 107 91.498 -7.632 -7.084 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.948 -8.385 -8.288 1.00 0.00 N ATOM 0 H LYS A 107 88.364 -2.064 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 107 87.974 -4.575 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.694 -4.674 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.090 -3.685 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.968 -5.395 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.505 -6.347 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 107 89.955 -6.629 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.430 -5.698 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.356 -7.365 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 107 90.848 -8.258 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 92.455 -9.243 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.121 -8.652 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.582 -7.787 -8.855 1.00 0.00 H new ATOM 1542 N LEU A 108 89.345 -3.777 -3.204 1.00 0.00 N ATOM 1543 CA LEU A 108 90.258 -3.520 -2.096 1.00 0.00 C ATOM 1544 C LEU A 108 91.197 -4.704 -1.895 1.00 0.00 C ATOM 1545 O LEU A 108 90.756 -5.824 -1.639 1.00 0.00 O ATOM 1546 CB LEU A 108 89.456 -3.255 -0.819 1.00 0.00 C ATOM 1547 CG LEU A 108 90.374 -2.792 0.319 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.690 -1.300 0.191 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.683 -3.020 1.665 1.00 0.00 C ATOM 0 H LEU A 108 88.462 -4.212 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 108 90.860 -2.641 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.698 -2.496 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.930 -4.162 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 108 91.299 -3.366 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.342 -0.995 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.189 -1.114 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.764 -0.727 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.338 -2.690 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.753 -2.452 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.464 -4.081 1.787 1.00 0.00 H new ATOM 1561 N THR A 109 92.491 -4.405 -1.834 1.00 0.00 N ATOM 1562 CA THR A 109 93.509 -5.424 -1.595 1.00 0.00 C ATOM 1563 C THR A 109 94.300 -5.088 -0.336 1.00 0.00 C ATOM 1564 O THR A 109 94.590 -3.923 -0.065 1.00 0.00 O ATOM 1565 CB THR A 109 94.466 -5.493 -2.786 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.756 -5.929 -3.936 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.596 -6.478 -2.481 1.00 0.00 C ATOM 0 H THR A 109 92.861 -3.461 -1.947 1.00 0.00 H new ATOM 0 HA THR A 109 93.015 -6.387 -1.466 1.00 0.00 H new ATOM 0 HB THR A 109 94.888 -4.505 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.367 -5.972 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.277 -6.525 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.141 -6.144 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.177 -7.467 -2.296 1.00 0.00 H new ATOM 1575 N VAL A 110 94.587 -6.105 0.471 1.00 0.00 N ATOM 1576 CA VAL A 110 95.329 -5.910 1.712 1.00 0.00 C ATOM 1577 C VAL A 110 96.678 -6.617 1.643 1.00 0.00 C ATOM 1578 O VAL A 110 96.755 -7.806 1.334 1.00 0.00 O ATOM 1579 CB VAL A 110 94.532 -6.466 2.893 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.299 -6.205 4.193 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.164 -5.783 2.951 1.00 0.00 C ATOM 0 H VAL A 110 94.317 -7.072 0.288 1.00 0.00 H new ATOM 0 HA VAL A 110 95.490 -4.841 1.850 1.00 0.00 H new ATOM 0 HB VAL A 110 94.392 -7.540 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.732 -6.601 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.271 -6.696 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.440 -5.132 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.595 -6.179 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.299 -4.709 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.622 -5.974 2.025 1.00 0.00 H new ATOM 1591 N LEU A 111 97.740 -5.871 1.930 1.00 0.00 N ATOM 1592 CA LEU A 111 99.088 -6.426 1.903 1.00 0.00 C ATOM 1593 C LEU A 111 99.453 -7.013 3.263 1.00 0.00 C ATOM 1594 O LEU A 111 99.754 -6.257 4.168 1.00 0.00 O ATOM 1595 CB LEU A 111 100.089 -5.334 1.515 1.00 0.00 C ATOM 1596 CG LEU A 111 99.510 -4.435 0.410 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.028 -3.103 0.993 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.575 -4.144 -0.650 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.411 -8.236 3.391 1.00 0.00 O ATOM 0 H LEU A 111 97.693 -4.884 2.183 1.00 0.00 H new ATOM 0 HA LEU A 111 99.124 -7.225 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.335 -4.732 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.017 -5.790 1.171 1.00 0.00 H new ATOM 0 HG LEU A 111 98.669 -4.962 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.622 -2.482 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.253 -3.290 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.865 -2.588 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.151 -3.507 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.421 -3.637 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.912 -5.081 -1.094 1.00 0.00 H new