USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 777 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 107 LYS NZ :NH3+ 174:sc= 0.354 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot -133:sc= 0.336 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 GLN : amide:sc= -5.22! C(o=-5.1!,f=-5.2!) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0.0752 USER MOD Set 4.1: A 35 GLN : amide:sc= -3.67! C(o=-6.1!,f=-10!) USER MOD Set 4.2: A 37 TYR OH : rot -42:sc= 1.06 USER MOD Set 4.3: A 50 TYR OH : rot 180:sc= 0.059 USER MOD Set 4.4: A 92 GLN : amide:sc= -3.59! C(o=-6.1!,f=-7.3!) USER MOD Set 5.1: A 31 SER OG : rot -36:sc= 0.0845 USER MOD Set 5.2: A 32 ASN :FLIP amide:sc= -2.46 F(o=-3!,f=-2.4) USER MOD Set 6.1: A 28 SER OG : rot -10:sc= 0.37 USER MOD Set 6.2: A 72 ASN : amide:sc= 0.522 K(o=0.89,f=-0.57) USER MOD Set 7.1: A 6 GLN : amide:sc= -9.54! C(o=-8.6!,f=-9.7!) USER MOD Set 7.2: A 106 THR OG1 : rot -9:sc= 0.987 USER MOD Single : A 1 ASN : amide:sc=-0.00959 X(o=-0.0096,f=-0.0096) USER MOD Single : A 1 ASN N :NH3+ -176:sc= -0.214 (180deg=-0.232) 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 8 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.37) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 64:sc= -0.125 USER MOD Single : A 13 SER OG : rot 180:sc= -0.206 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.249 (180deg=-1.04) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 35:sc= 0.363 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 25 SER OG : rot -68:sc= 1.14 USER MOD Single : A 26 SER OG : rot -175:sc= 1.85 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.1! C(o=-5.1!,f=-12!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.566 USER MOD Single : A 44 SER OG : rot 93:sc= 0.073 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 34:sc= 0.555 USER MOD Single : A 53 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.5) USER MOD Single : A 54 GLN : amide:sc= 0.0976 X(o=0.098,f=-0.0018) 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 71 SER OG : rot -50:sc= 0.0934 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 89 TYR OH : rot -20:sc= 0.545 USER MOD Single : A 93 SER OG : rot 180:sc= -0.349 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 USER MOD Single : A 98 ASN :FLIP amide:sc= -2.43! C(o=-7.5!,f=-2.4!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 68.982 5.395 -15.393 1.00 0.00 N ATOM 2 CA ASN A 1 69.938 5.915 -16.411 1.00 0.00 C ATOM 3 C ASN A 1 71.138 6.539 -15.707 1.00 0.00 C ATOM 4 O ASN A 1 72.078 7.003 -16.353 1.00 0.00 O ATOM 5 CB ASN A 1 69.237 6.961 -17.279 1.00 0.00 C ATOM 6 CG ASN A 1 68.216 6.283 -18.186 1.00 0.00 C ATOM 7 OD1 ASN A 1 67.012 6.392 -17.958 1.00 0.00 O ATOM 8 ND2 ASN A 1 68.627 5.623 -19.235 1.00 0.00 N ATOM 0 H1 ASN A 1 68.196 4.909 -15.871 1.00 0.00 H new ATOM 0 H2 ASN A 1 69.473 4.726 -14.766 1.00 0.00 H new ATOM 0 H3 ASN A 1 68.609 6.186 -14.831 1.00 0.00 H new ATOM 0 HA ASN A 1 70.282 5.098 -17.045 1.00 0.00 H new ATOM 0 HB2 ASN A 1 68.742 7.698 -16.647 1.00 0.00 H new ATOM 0 HB3 ASN A 1 69.971 7.498 -17.880 1.00 0.00 H new ATOM 0 HD21 ASN A 1 67.949 5.197 -19.867 1.00 0.00 H new ATOM 0 HD22 ASN A 1 69.626 5.534 -19.422 1.00 0.00 H new ATOM 17 N PHE A 2 71.079 6.591 -14.380 1.00 0.00 N ATOM 18 CA PHE A 2 72.161 7.172 -13.593 1.00 0.00 C ATOM 19 C PHE A 2 73.241 6.134 -13.305 1.00 0.00 C ATOM 20 O PHE A 2 73.083 4.954 -13.615 1.00 0.00 O ATOM 21 CB PHE A 2 71.608 7.712 -12.272 1.00 0.00 C ATOM 22 CG PHE A 2 70.267 8.378 -12.486 1.00 0.00 C ATOM 23 CD1 PHE A 2 69.954 9.009 -13.698 1.00 0.00 C ATOM 24 CD2 PHE A 2 69.340 8.388 -11.437 1.00 0.00 C ATOM 25 CE1 PHE A 2 68.699 9.604 -13.874 1.00 0.00 C ATOM 26 CE2 PHE A 2 68.072 8.952 -11.626 1.00 0.00 C ATOM 27 CZ PHE A 2 67.752 9.560 -12.845 1.00 0.00 C ATOM 0 H PHE A 2 70.296 6.239 -13.829 1.00 0.00 H new ATOM 0 HA PHE A 2 72.604 7.986 -14.167 1.00 0.00 H new ATOM 0 HB2 PHE A 2 71.505 6.897 -11.555 1.00 0.00 H new ATOM 0 HB3 PHE A 2 72.310 8.427 -11.843 1.00 0.00 H new ATOM 0 HD1 PHE A 2 70.681 9.036 -14.496 1.00 0.00 H new ATOM 0 HD2 PHE A 2 69.603 7.960 -10.481 1.00 0.00 H new ATOM 0 HE1 PHE A 2 68.462 10.097 -14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 2 67.342 8.918 -10.831 1.00 0.00 H new ATOM 0 HZ PHE A 2 66.774 9.995 -12.991 1.00 0.00 H new ATOM 37 N MET A 3 74.330 6.583 -12.686 1.00 0.00 N ATOM 38 CA MET A 3 75.436 5.690 -12.361 1.00 0.00 C ATOM 39 C MET A 3 76.218 6.243 -11.171 1.00 0.00 C ATOM 40 O MET A 3 76.083 7.419 -10.833 1.00 0.00 O ATOM 41 CB MET A 3 76.343 5.549 -13.592 1.00 0.00 C ATOM 42 CG MET A 3 76.713 4.085 -13.847 1.00 0.00 C ATOM 43 SD MET A 3 77.578 3.948 -15.431 1.00 0.00 S ATOM 44 CE MET A 3 78.508 2.434 -15.082 1.00 0.00 C ATOM 0 H MET A 3 74.469 7.553 -12.402 1.00 0.00 H new ATOM 0 HA MET A 3 75.053 4.707 -12.088 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.837 5.956 -14.467 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.250 6.135 -13.447 1.00 0.00 H new ATOM 0 HG2 MET A 3 77.346 3.713 -13.041 1.00 0.00 H new ATOM 0 HG3 MET A 3 75.814 3.468 -13.857 1.00 0.00 H new ATOM 0 HE1 MET A 3 79.116 2.173 -15.948 1.00 0.00 H new ATOM 0 HE2 MET A 3 79.155 2.595 -14.220 1.00 0.00 H new ATOM 0 HE3 MET A 3 77.814 1.622 -14.868 1.00 0.00 H new ATOM 54 N LEU A 4 77.106 5.431 -10.602 1.00 0.00 N ATOM 55 CA LEU A 4 77.898 5.845 -9.448 1.00 0.00 C ATOM 56 C LEU A 4 79.384 5.738 -9.770 1.00 0.00 C ATOM 57 O LEU A 4 79.821 4.813 -10.454 1.00 0.00 O ATOM 58 CB LEU A 4 77.570 4.943 -8.256 1.00 0.00 C ATOM 59 CG LEU A 4 76.065 4.984 -7.958 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.584 3.633 -7.420 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.763 6.061 -6.914 1.00 0.00 C ATOM 0 H LEU A 4 77.295 4.481 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 4 77.659 6.880 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.878 3.919 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.131 5.268 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 4 75.545 5.211 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.515 3.683 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.776 2.857 -8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.119 3.396 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.692 6.081 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.303 5.837 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.078 7.033 -7.293 1.00 0.00 H new ATOM 73 N THR A 5 80.146 6.724 -9.307 1.00 0.00 N ATOM 74 CA THR A 5 81.589 6.753 -9.532 1.00 0.00 C ATOM 75 C THR A 5 82.319 6.392 -8.241 1.00 0.00 C ATOM 76 O THR A 5 82.219 7.104 -7.242 1.00 0.00 O ATOM 77 CB THR A 5 81.999 8.145 -10.021 1.00 0.00 C ATOM 78 OG1 THR A 5 81.673 8.265 -11.398 1.00 0.00 O ATOM 79 CG2 THR A 5 83.503 8.369 -9.846 1.00 0.00 C ATOM 0 H THR A 5 79.788 7.516 -8.772 1.00 0.00 H new ATOM 0 HA THR A 5 81.860 6.022 -10.294 1.00 0.00 H new ATOM 0 HB THR A 5 81.465 8.891 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.931 9.154 -11.719 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.766 9.365 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.764 8.279 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 5 84.051 7.622 -10.420 1.00 0.00 H new ATOM 87 N GLN A 6 83.152 5.357 -8.308 1.00 0.00 N ATOM 88 CA GLN A 6 83.924 4.923 -7.148 1.00 0.00 C ATOM 89 C GLN A 6 85.298 4.442 -7.609 1.00 0.00 C ATOM 90 O GLN A 6 85.441 3.969 -8.737 1.00 0.00 O ATOM 91 CB GLN A 6 83.184 3.813 -6.383 1.00 0.00 C ATOM 92 CG GLN A 6 81.768 3.625 -6.934 1.00 0.00 C ATOM 93 CD GLN A 6 81.094 2.447 -6.240 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.889 2.247 -6.393 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.761 1.760 -5.354 1.00 0.00 N ATOM 0 H GLN A 6 83.309 4.805 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 6 84.050 5.764 -6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.738 2.878 -6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.137 4.065 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.184 4.532 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.807 3.451 -8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.759 1.925 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.284 1.058 -4.789 1.00 0.00 H new ATOM 104 N PRO A 7 86.259 4.394 -6.726 1.00 0.00 N ATOM 105 CA PRO A 7 87.638 3.959 -7.085 1.00 0.00 C ATOM 106 C PRO A 7 87.628 2.579 -7.739 1.00 0.00 C ATOM 107 O PRO A 7 86.872 1.699 -7.330 1.00 0.00 O ATOM 108 CB PRO A 7 88.403 3.948 -5.753 1.00 0.00 C ATOM 109 CG PRO A 7 87.448 4.389 -4.688 1.00 0.00 C ATOM 110 CD PRO A 7 86.224 4.992 -5.382 1.00 0.00 C ATOM 0 HA PRO A 7 88.103 4.622 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.785 2.950 -5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.263 4.616 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.156 3.545 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.917 5.124 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.302 4.743 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.283 6.080 -5.425 1.00 0.00 H new ATOM 118 N HIS A 8 88.449 2.406 -8.769 1.00 0.00 N ATOM 119 CA HIS A 8 88.559 1.113 -9.434 1.00 0.00 C ATOM 120 C HIS A 8 89.207 0.092 -8.505 1.00 0.00 C ATOM 121 O HIS A 8 88.986 -1.111 -8.646 1.00 0.00 O ATOM 122 CB HIS A 8 89.371 1.256 -10.724 1.00 0.00 C ATOM 123 CG HIS A 8 89.662 -0.100 -11.307 1.00 0.00 C ATOM 124 ND1 HIS A 8 90.862 -0.754 -11.077 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.913 -0.952 -12.084 1.00 0.00 C ATOM 126 CE1 HIS A 8 90.808 -1.938 -11.710 1.00 0.00 C ATOM 127 NE2 HIS A 8 89.644 -2.110 -12.341 1.00 0.00 N ATOM 0 H HIS A 8 89.043 3.138 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 8 87.559 0.760 -9.687 1.00 0.00 H new ATOM 0 HB2 HIS A 8 88.819 1.859 -11.445 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.305 1.780 -10.519 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.913 -0.754 -12.440 1.00 0.00 H new ATOM 0 HE1 HIS A 8 91.609 -2.663 -11.709 1.00 0.00 H new ATOM 0 HE2 HIS A 8 89.352 -2.917 -12.893 1.00 0.00 H new ATOM 135 N SER A 9 90.134 0.560 -7.676 1.00 0.00 N ATOM 136 CA SER A 9 90.846 -0.335 -6.772 1.00 0.00 C ATOM 137 C SER A 9 91.681 0.474 -5.785 1.00 0.00 C ATOM 138 O SER A 9 92.177 1.552 -6.113 1.00 0.00 O ATOM 139 CB SER A 9 91.757 -1.272 -7.568 1.00 0.00 C ATOM 140 OG SER A 9 92.606 -1.978 -6.675 1.00 0.00 O ATOM 0 H SER A 9 90.407 1.541 -7.611 1.00 0.00 H new ATOM 0 HA SER A 9 90.116 -0.929 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.157 -1.974 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.354 -0.700 -8.278 1.00 0.00 H new ATOM 0 HG SER A 9 93.188 -2.580 -7.184 1.00 0.00 H new ATOM 146 N VAL A 10 91.842 -0.058 -4.579 1.00 0.00 N ATOM 147 CA VAL A 10 92.582 0.636 -3.532 1.00 0.00 C ATOM 148 C VAL A 10 93.249 -0.376 -2.608 1.00 0.00 C ATOM 149 O VAL A 10 92.885 -1.552 -2.593 1.00 0.00 O ATOM 150 CB VAL A 10 91.637 1.536 -2.732 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.449 0.715 -2.225 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.380 2.140 -1.537 1.00 0.00 C ATOM 0 H VAL A 10 91.470 -0.967 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 10 93.352 1.255 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 10 91.279 2.337 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.778 1.359 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.912 0.290 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.810 -0.090 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.702 2.779 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.745 1.340 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.223 2.731 -1.894 1.00 0.00 H new ATOM 162 N SER A 11 94.327 0.053 -1.961 1.00 0.00 N ATOM 163 CA SER A 11 95.095 -0.831 -1.091 1.00 0.00 C ATOM 164 C SER A 11 95.556 -0.070 0.145 1.00 0.00 C ATOM 165 O SER A 11 95.682 1.155 0.124 1.00 0.00 O ATOM 166 CB SER A 11 96.318 -1.370 -1.834 1.00 0.00 C ATOM 167 OG SER A 11 96.902 -2.425 -1.086 1.00 0.00 O ATOM 0 H SER A 11 94.688 1.005 -2.022 1.00 0.00 H new ATOM 0 HA SER A 11 94.458 -1.664 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.027 -1.728 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.045 -0.572 -1.985 1.00 0.00 H new ATOM 0 HG SER A 11 96.267 -3.169 -1.019 1.00 0.00 H new ATOM 173 N GLU A 12 95.789 -0.800 1.230 1.00 0.00 N ATOM 174 CA GLU A 12 96.242 -0.171 2.465 1.00 0.00 C ATOM 175 C GLU A 12 96.983 -1.183 3.335 1.00 0.00 C ATOM 176 O GLU A 12 96.667 -2.373 3.329 1.00 0.00 O ATOM 177 CB GLU A 12 95.029 0.414 3.202 1.00 0.00 C ATOM 178 CG GLU A 12 95.241 1.887 3.566 1.00 0.00 C ATOM 179 CD GLU A 12 96.564 2.073 4.301 1.00 0.00 C ATOM 180 OE1 GLU A 12 96.932 1.180 5.044 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.255 3.032 4.000 1.00 0.00 O ATOM 0 H GLU A 12 95.674 -1.812 1.281 1.00 0.00 H new ATOM 0 HA GLU A 12 96.938 0.636 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.142 0.318 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.842 -0.161 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.232 2.496 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.419 2.235 4.192 1.00 0.00 H new ATOM 188 N SER A 13 97.954 -0.698 4.103 1.00 0.00 N ATOM 189 CA SER A 13 98.697 -1.552 5.020 1.00 0.00 C ATOM 190 C SER A 13 97.892 -1.802 6.294 1.00 0.00 C ATOM 191 O SER A 13 97.210 -0.895 6.775 1.00 0.00 O ATOM 192 CB SER A 13 100.024 -0.880 5.376 1.00 0.00 C ATOM 193 OG SER A 13 100.667 -1.610 6.411 1.00 0.00 O ATOM 0 H SER A 13 98.243 0.280 4.108 1.00 0.00 H new ATOM 0 HA SER A 13 98.885 -2.509 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.667 -0.834 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.848 0.147 5.697 1.00 0.00 H new ATOM 0 HG SER A 13 101.518 -1.178 6.636 1.00 0.00 H new ATOM 199 N PRO A 14 98.060 -2.928 6.938 1.00 0.00 N ATOM 200 CA PRO A 14 97.268 -3.246 8.159 1.00 0.00 C ATOM 201 C PRO A 14 97.489 -2.192 9.242 1.00 0.00 C ATOM 202 O PRO A 14 98.628 -1.853 9.561 1.00 0.00 O ATOM 203 CB PRO A 14 97.756 -4.631 8.606 1.00 0.00 C ATOM 204 CG PRO A 14 98.804 -5.074 7.633 1.00 0.00 C ATOM 205 CD PRO A 14 98.786 -4.109 6.444 1.00 0.00 C ATOM 0 HA PRO A 14 96.196 -3.247 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.164 -4.586 9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.929 -5.340 8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.786 -5.077 8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.608 -6.093 7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.796 -3.850 6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.286 -4.551 5.582 1.00 0.00 H new ATOM 213 N GLY A 15 96.402 -1.741 9.862 1.00 0.00 N ATOM 214 CA GLY A 15 96.480 -0.795 10.972 1.00 0.00 C ATOM 215 C GLY A 15 95.875 0.554 10.600 1.00 0.00 C ATOM 216 O GLY A 15 95.333 1.254 11.456 1.00 0.00 O ATOM 0 H GLY A 15 95.452 -2.017 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.957 -1.203 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.521 -0.660 11.264 1.00 0.00 H new ATOM 220 N LYS A 16 95.989 0.933 9.331 1.00 0.00 N ATOM 221 CA LYS A 16 95.469 2.221 8.883 1.00 0.00 C ATOM 222 C LYS A 16 93.961 2.140 8.668 1.00 0.00 C ATOM 223 O LYS A 16 93.293 1.264 9.219 1.00 0.00 O ATOM 224 CB LYS A 16 96.129 2.652 7.571 1.00 0.00 C ATOM 225 CG LYS A 16 97.651 2.487 7.628 1.00 0.00 C ATOM 226 CD LYS A 16 98.269 3.637 8.428 1.00 0.00 C ATOM 227 CE LYS A 16 99.796 3.529 8.410 1.00 0.00 C ATOM 228 NZ LYS A 16 100.271 3.173 7.043 1.00 0.00 N ATOM 0 H LYS A 16 96.432 0.374 8.602 1.00 0.00 H new ATOM 0 HA LYS A 16 95.694 2.954 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.728 2.059 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.882 3.693 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.905 1.533 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.062 2.472 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.959 4.592 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.907 3.611 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.238 4.475 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.123 2.774 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.279 3.412 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.141 2.153 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.725 3.705 6.336 1.00 0.00 H new ATOM 242 N THR A 17 93.434 3.044 7.845 1.00 0.00 N ATOM 243 CA THR A 17 92.008 3.076 7.531 1.00 0.00 C ATOM 244 C THR A 17 91.780 3.193 6.028 1.00 0.00 C ATOM 245 O THR A 17 92.700 3.496 5.269 1.00 0.00 O ATOM 246 CB THR A 17 91.340 4.264 8.227 1.00 0.00 C ATOM 247 OG1 THR A 17 91.977 5.464 7.814 1.00 0.00 O ATOM 248 CG2 THR A 17 91.476 4.115 9.744 1.00 0.00 C ATOM 0 H THR A 17 93.979 3.770 7.380 1.00 0.00 H new ATOM 0 HA THR A 17 91.570 2.143 7.886 1.00 0.00 H new ATOM 0 HB THR A 17 90.284 4.295 7.961 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.552 6.229 8.256 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.999 4.962 10.237 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.994 3.191 10.064 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.532 4.085 10.013 1.00 0.00 H new ATOM 256 N VAL A 18 90.569 2.847 5.603 1.00 0.00 N ATOM 257 CA VAL A 18 90.173 2.965 4.202 1.00 0.00 C ATOM 258 C VAL A 18 88.895 3.786 4.077 1.00 0.00 C ATOM 259 O VAL A 18 87.898 3.535 4.754 1.00 0.00 O ATOM 260 CB VAL A 18 89.990 1.565 3.608 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.110 1.606 2.355 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.353 0.944 3.270 1.00 0.00 C ATOM 0 H VAL A 18 89.839 2.480 6.213 1.00 0.00 H new ATOM 0 HA VAL A 18 90.954 3.484 3.646 1.00 0.00 H new ATOM 0 HB VAL A 18 89.492 0.948 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.998 0.598 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.129 2.005 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.576 2.244 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.205 -0.051 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.869 1.572 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.953 0.869 4.177 1.00 0.00 H new ATOM 272 N THR A 19 88.915 4.707 3.121 1.00 0.00 N ATOM 273 CA THR A 19 87.760 5.544 2.818 1.00 0.00 C ATOM 274 C THR A 19 87.267 5.283 1.398 1.00 0.00 C ATOM 275 O THR A 19 87.962 5.576 0.425 1.00 0.00 O ATOM 276 CB THR A 19 88.157 7.015 2.999 1.00 0.00 C ATOM 277 OG1 THR A 19 89.342 7.079 3.778 1.00 0.00 O ATOM 278 CG2 THR A 19 87.054 7.783 3.730 1.00 0.00 C ATOM 0 H THR A 19 89.729 4.894 2.536 1.00 0.00 H new ATOM 0 HA THR A 19 86.942 5.304 3.498 1.00 0.00 H new ATOM 0 HB THR A 19 88.314 7.460 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 19 89.605 8.016 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.353 8.824 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.132 7.735 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.890 7.338 4.711 1.00 0.00 H new ATOM 286 N ILE A 20 86.023 4.826 1.285 1.00 0.00 N ATOM 287 CA ILE A 20 85.410 4.574 -0.015 1.00 0.00 C ATOM 288 C ILE A 20 84.345 5.627 -0.302 1.00 0.00 C ATOM 289 O ILE A 20 83.287 5.627 0.326 1.00 0.00 O ATOM 290 CB ILE A 20 84.765 3.185 -0.022 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.796 2.149 0.434 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.281 2.859 -1.437 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.180 0.749 0.526 1.00 0.00 C ATOM 0 H ILE A 20 85.418 4.622 2.081 1.00 0.00 H new ATOM 0 HA ILE A 20 86.181 4.622 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 20 83.914 3.166 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.633 2.135 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.197 2.436 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.821 1.871 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.549 3.603 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.128 2.871 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.939 0.038 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.360 0.759 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.802 0.453 -0.453 1.00 0.00 H new ATOM 305 N SER A 21 84.563 6.425 -1.345 1.00 0.00 N ATOM 306 CA SER A 21 83.617 7.470 -1.726 1.00 0.00 C ATOM 307 C SER A 21 82.813 7.040 -2.951 1.00 0.00 C ATOM 308 O SER A 21 83.389 6.708 -3.987 1.00 0.00 O ATOM 309 CB SER A 21 84.373 8.769 -2.020 1.00 0.00 C ATOM 310 OG SER A 21 85.353 8.542 -3.022 1.00 0.00 O ATOM 0 H SER A 21 85.388 6.367 -1.942 1.00 0.00 H new ATOM 0 HA SER A 21 82.925 7.638 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.676 9.539 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.848 9.137 -1.111 1.00 0.00 H new ATOM 0 HG SER A 21 85.018 7.882 -3.664 1.00 0.00 H new ATOM 316 N CYS A 22 81.486 7.102 -2.843 1.00 0.00 N ATOM 317 CA CYS A 22 80.579 6.753 -3.940 1.00 0.00 C ATOM 318 C CYS A 22 79.853 8.033 -4.363 1.00 0.00 C ATOM 319 O CYS A 22 79.211 8.684 -3.538 1.00 0.00 O ATOM 320 CB CYS A 22 79.587 5.659 -3.488 1.00 0.00 C ATOM 321 SG CYS A 22 79.458 4.297 -4.688 1.00 0.00 S ATOM 0 H CYS A 22 81.007 7.396 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 22 81.131 6.347 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.904 5.261 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.603 6.104 -3.341 1.00 0.00 H new ATOM 326 N THR A 23 80.061 8.472 -5.604 1.00 0.00 N ATOM 327 CA THR A 23 79.434 9.692 -6.113 1.00 0.00 C ATOM 328 C THR A 23 78.433 9.346 -7.210 1.00 0.00 C ATOM 329 O THR A 23 78.773 8.663 -8.175 1.00 0.00 O ATOM 330 CB THR A 23 80.488 10.642 -6.691 1.00 0.00 C ATOM 331 OG1 THR A 23 81.517 10.842 -5.733 1.00 0.00 O ATOM 332 CG2 THR A 23 79.877 12.002 -7.052 1.00 0.00 C ATOM 0 H THR A 23 80.662 7.998 -6.279 1.00 0.00 H new ATOM 0 HA THR A 23 78.924 10.181 -5.283 1.00 0.00 H new ATOM 0 HB THR A 23 80.890 10.190 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.193 11.448 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.651 12.652 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.092 11.862 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.453 12.459 -6.158 1.00 0.00 H new ATOM 340 N GLY A 24 77.226 9.898 -7.107 1.00 0.00 N ATOM 341 CA GLY A 24 76.163 9.610 -8.065 1.00 0.00 C ATOM 342 C GLY A 24 75.939 10.794 -8.999 1.00 0.00 C ATOM 343 O GLY A 24 76.377 11.909 -8.714 1.00 0.00 O ATOM 0 H GLY A 24 76.960 10.549 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.422 8.726 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.240 9.382 -7.533 1.00 0.00 H new ATOM 347 N SER A 25 75.431 10.500 -10.192 1.00 0.00 N ATOM 348 CA SER A 25 75.209 11.532 -11.202 1.00 0.00 C ATOM 349 C SER A 25 73.718 11.784 -11.406 1.00 0.00 C ATOM 350 O SER A 25 73.231 11.788 -12.536 1.00 0.00 O ATOM 351 CB SER A 25 75.837 11.095 -12.527 1.00 0.00 C ATOM 352 OG SER A 25 75.425 11.980 -13.558 1.00 0.00 O ATOM 0 H SER A 25 75.166 9.559 -10.483 1.00 0.00 H new ATOM 0 HA SER A 25 75.673 12.456 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.924 11.096 -12.445 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.536 10.075 -12.766 1.00 0.00 H new ATOM 0 HG SER A 25 74.467 11.860 -13.729 1.00 0.00 H new ATOM 358 N SER A 26 73.017 12.083 -10.316 1.00 0.00 N ATOM 359 CA SER A 26 71.593 12.391 -10.388 1.00 0.00 C ATOM 360 C SER A 26 70.951 12.251 -9.011 1.00 0.00 C ATOM 361 O SER A 26 70.222 13.135 -8.562 1.00 0.00 O ATOM 362 CB SER A 26 70.895 11.452 -11.376 1.00 0.00 C ATOM 363 OG SER A 26 69.564 11.202 -10.949 1.00 0.00 O ATOM 0 H SER A 26 73.411 12.118 -9.376 1.00 0.00 H new ATOM 0 HA SER A 26 71.481 13.419 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.889 11.897 -12.371 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.445 10.514 -11.449 1.00 0.00 H new ATOM 0 HG SER A 26 69.152 10.534 -11.536 1.00 0.00 H new ATOM 369 N GLY A 27 71.152 11.095 -8.385 1.00 0.00 N ATOM 370 CA GLY A 27 70.575 10.833 -7.072 1.00 0.00 C ATOM 371 C GLY A 27 71.493 11.345 -5.968 1.00 0.00 C ATOM 372 O GLY A 27 72.706 11.142 -6.015 1.00 0.00 O ATOM 0 H GLY A 27 71.708 10.328 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.601 11.316 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.411 9.762 -6.948 1.00 0.00 H new ATOM 376 N SER A 28 70.891 11.882 -4.911 1.00 0.00 N ATOM 377 CA SER A 28 71.651 12.353 -3.759 1.00 0.00 C ATOM 378 C SER A 28 71.738 11.248 -2.711 1.00 0.00 C ATOM 379 O SER A 28 70.759 10.559 -2.429 1.00 0.00 O ATOM 380 CB SER A 28 70.977 13.600 -3.179 1.00 0.00 C ATOM 381 OG SER A 28 71.653 14.759 -3.645 1.00 0.00 O ATOM 0 H SER A 28 69.881 12.001 -4.829 1.00 0.00 H new ATOM 0 HA SER A 28 72.663 12.614 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 28 69.929 13.632 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.999 13.566 -2.090 1.00 0.00 H new ATOM 0 HG SER A 28 72.480 14.495 -4.100 1.00 0.00 H new ATOM 387 N ILE A 29 72.901 11.150 -2.078 1.00 0.00 N ATOM 388 CA ILE A 29 73.127 10.120 -1.072 1.00 0.00 C ATOM 389 C ILE A 29 72.407 10.471 0.225 1.00 0.00 C ATOM 390 O ILE A 29 72.547 9.774 1.230 1.00 0.00 O ATOM 391 CB ILE A 29 74.623 9.927 -0.814 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.255 11.187 -0.212 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.321 9.562 -2.127 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.152 12.389 -1.153 1.00 0.00 C ATOM 0 H ILE A 29 73.697 11.767 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 29 72.722 9.182 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 29 74.748 9.119 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 29 74.763 11.423 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.303 10.993 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.387 9.424 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.897 8.638 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.177 10.364 -2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.613 13.259 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.667 12.165 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.103 12.601 -1.359 1.00 0.00 H new ATOM 406 N ALA A 30 71.691 11.592 0.220 1.00 0.00 N ATOM 407 CA ALA A 30 70.939 12.031 1.392 1.00 0.00 C ATOM 408 C ALA A 30 69.440 11.991 1.114 1.00 0.00 C ATOM 409 O ALA A 30 68.633 11.942 2.042 1.00 0.00 O ATOM 410 CB ALA A 30 71.358 13.455 1.760 1.00 0.00 C ATOM 0 H ALA A 30 71.616 12.214 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 30 71.155 11.358 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.798 13.785 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.425 13.474 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.151 14.123 0.924 1.00 0.00 H new ATOM 416 N SER A 31 69.073 12.138 -0.155 1.00 0.00 N ATOM 417 CA SER A 31 67.667 12.117 -0.545 1.00 0.00 C ATOM 418 C SER A 31 67.146 10.688 -0.666 1.00 0.00 C ATOM 419 O SER A 31 65.938 10.467 -0.755 1.00 0.00 O ATOM 420 CB SER A 31 67.481 12.843 -1.879 1.00 0.00 C ATOM 421 OG SER A 31 68.070 12.079 -2.921 1.00 0.00 O ATOM 0 H SER A 31 69.725 12.272 -0.927 1.00 0.00 H new ATOM 0 HA SER A 31 67.098 12.626 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.420 12.993 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.939 13.831 -1.834 1.00 0.00 H new ATOM 0 HG SER A 31 68.885 11.648 -2.590 1.00 0.00 H new ATOM 427 N ASN A 32 68.057 9.720 -0.662 1.00 0.00 N ATOM 428 CA ASN A 32 67.687 8.317 -0.820 1.00 0.00 C ATOM 429 C ASN A 32 68.532 7.444 0.101 1.00 0.00 C ATOM 430 O ASN A 32 69.544 7.895 0.637 1.00 0.00 O ATOM 431 CB ASN A 32 67.911 7.879 -2.269 1.00 0.00 C ATOM 432 CG ASN A 32 67.336 8.917 -3.226 1.00 0.00 C ATOM 433 OD1 ASN A 32 66.150 9.413 -3.001 1.00 0.00 O flip ATOM 434 ND2 ASN A 32 67.986 9.287 -4.204 1.00 0.00 N flip ATOM 0 H ASN A 32 69.058 9.881 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 32 66.634 8.204 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.977 7.751 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.438 6.912 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 32 68.913 8.898 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 32 67.598 9.983 -4.841 1.00 0.00 H new ATOM 441 N TYR A 33 68.126 6.189 0.266 1.00 0.00 N ATOM 442 CA TYR A 33 68.859 5.269 1.129 1.00 0.00 C ATOM 443 C TYR A 33 69.995 4.621 0.346 1.00 0.00 C ATOM 444 O TYR A 33 69.814 4.231 -0.808 1.00 0.00 O ATOM 445 CB TYR A 33 67.917 4.182 1.653 1.00 0.00 C ATOM 446 CG TYR A 33 66.606 4.806 2.071 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.514 5.496 3.286 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.479 4.679 1.249 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.298 6.072 3.672 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.248 5.197 1.668 1.00 0.00 C ATOM 451 CZ TYR A 33 64.164 5.918 2.865 1.00 0.00 C ATOM 452 OH TYR A 33 62.960 6.467 3.256 1.00 0.00 O ATOM 0 H TYR A 33 67.302 5.788 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 33 69.270 5.826 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.745 3.433 0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.373 3.668 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.380 5.584 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.560 4.182 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.234 6.635 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.364 5.041 1.068 1.00 0.00 H new ATOM 0 HH TYR A 33 62.276 6.269 2.583 1.00 0.00 H new ATOM 462 N VAL A 34 71.156 4.485 0.981 1.00 0.00 N ATOM 463 CA VAL A 34 72.310 3.858 0.345 1.00 0.00 C ATOM 464 C VAL A 34 72.771 2.670 1.181 1.00 0.00 C ATOM 465 O VAL A 34 72.826 2.734 2.409 1.00 0.00 O ATOM 466 CB VAL A 34 73.433 4.888 0.178 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.759 4.182 -0.125 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.084 5.860 -0.956 1.00 0.00 C ATOM 0 H VAL A 34 71.322 4.801 1.936 1.00 0.00 H new ATOM 0 HA VAL A 34 72.034 3.494 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 34 73.539 5.448 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.548 4.925 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.010 3.511 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.663 3.607 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.886 6.589 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.963 5.305 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.154 6.377 -0.719 1.00 0.00 H new ATOM 478 N GLN A 35 73.046 1.563 0.501 1.00 0.00 N ATOM 479 CA GLN A 35 73.460 0.335 1.172 1.00 0.00 C ATOM 480 C GLN A 35 74.790 -0.145 0.605 1.00 0.00 C ATOM 481 O GLN A 35 75.162 0.207 -0.515 1.00 0.00 O ATOM 482 CB GLN A 35 72.405 -0.756 0.970 1.00 0.00 C ATOM 483 CG GLN A 35 71.178 -0.470 1.838 1.00 0.00 C ATOM 484 CD GLN A 35 70.224 -1.659 1.792 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.537 -2.684 1.187 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.085 -1.593 2.424 1.00 0.00 N ATOM 0 H GLN A 35 72.990 1.490 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 35 73.570 0.541 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.115 -0.802 -0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.823 -1.729 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.485 -0.278 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.672 0.428 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.828 -0.742 2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.451 -2.392 2.418 1.00 0.00 H new ATOM 495 N TRP A 36 75.565 -0.828 1.441 1.00 0.00 N ATOM 496 CA TRP A 36 76.899 -1.279 1.058 1.00 0.00 C ATOM 497 C TRP A 36 76.935 -2.800 0.952 1.00 0.00 C ATOM 498 O TRP A 36 76.244 -3.505 1.687 1.00 0.00 O ATOM 499 CB TRP A 36 77.917 -0.817 2.102 1.00 0.00 C ATOM 500 CG TRP A 36 77.967 0.677 2.119 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.039 1.480 2.689 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.984 1.559 1.560 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.421 2.796 2.518 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.598 2.901 1.805 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.184 1.330 0.867 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.394 3.975 1.395 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.970 2.405 0.433 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.577 3.725 0.690 1.00 0.00 C ATOM 0 H TRP A 36 75.292 -1.082 2.390 1.00 0.00 H new ATOM 0 HA TRP A 36 77.148 -0.851 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.641 -1.194 3.087 1.00 0.00 H new ATOM 0 HB3 TRP A 36 78.902 -1.222 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.145 1.146 3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.896 3.594 2.876 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.503 0.318 0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.098 4.989 1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.887 2.215 -0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.186 4.548 0.345 1.00 0.00 H new ATOM 519 N TYR A 37 77.748 -3.292 0.024 1.00 0.00 N ATOM 520 CA TYR A 37 77.865 -4.724 -0.231 1.00 0.00 C ATOM 521 C TYR A 37 79.332 -5.093 -0.426 1.00 0.00 C ATOM 522 O TYR A 37 80.144 -4.257 -0.821 1.00 0.00 O ATOM 523 CB TYR A 37 77.069 -5.109 -1.479 1.00 0.00 C ATOM 524 CG TYR A 37 75.591 -4.997 -1.194 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.986 -3.735 -1.154 1.00 0.00 C ATOM 526 CD2 TYR A 37 74.817 -6.151 -1.019 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.612 -3.625 -0.913 1.00 0.00 C ATOM 528 CE2 TYR A 37 73.433 -6.041 -0.835 1.00 0.00 C ATOM 529 CZ TYR A 37 72.836 -4.778 -0.750 1.00 0.00 C ATOM 530 OH TYR A 37 71.479 -4.670 -0.523 1.00 0.00 O ATOM 0 H TYR A 37 78.342 -2.714 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 37 77.463 -5.267 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.339 -4.457 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.315 -6.127 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.580 -2.846 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.286 -7.124 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.151 -2.650 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 37 72.826 -6.931 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 37 71.310 -3.940 0.109 1.00 0.00 H new ATOM 540 N GLN A 38 79.669 -6.348 -0.146 1.00 0.00 N ATOM 541 CA GLN A 38 81.038 -6.830 -0.300 1.00 0.00 C ATOM 542 C GLN A 38 81.015 -8.124 -1.106 1.00 0.00 C ATOM 543 O GLN A 38 80.162 -8.985 -0.887 1.00 0.00 O ATOM 544 CB GLN A 38 81.648 -7.072 1.089 1.00 0.00 C ATOM 545 CG GLN A 38 82.854 -6.165 1.355 1.00 0.00 C ATOM 546 CD GLN A 38 84.091 -6.751 0.685 1.00 0.00 C ATOM 547 OE1 GLN A 38 83.992 -7.774 0.007 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.269 -6.276 0.982 1.00 0.00 N ATOM 0 H GLN A 38 79.011 -7.052 0.190 1.00 0.00 H new ATOM 0 HA GLN A 38 81.645 -6.092 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 38 80.890 -6.899 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 38 81.954 -8.115 1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.660 -5.163 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.020 -6.069 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.350 -5.428 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.109 -6.752 0.653 1.00 0.00 H new ATOM 557 N GLN A 39 82.027 -8.306 -1.950 1.00 0.00 N ATOM 558 CA GLN A 39 82.126 -9.504 -2.779 1.00 0.00 C ATOM 559 C GLN A 39 83.388 -10.272 -2.405 1.00 0.00 C ATOM 560 O GLN A 39 84.484 -9.964 -2.874 1.00 0.00 O ATOM 561 CB GLN A 39 82.158 -9.094 -4.258 1.00 0.00 C ATOM 562 CG GLN A 39 80.767 -9.224 -4.883 1.00 0.00 C ATOM 563 CD GLN A 39 80.726 -8.499 -6.224 1.00 0.00 C ATOM 564 OE1 GLN A 39 79.772 -7.775 -6.508 1.00 0.00 O ATOM 565 NE2 GLN A 39 81.693 -8.673 -7.083 1.00 0.00 N ATOM 0 H GLN A 39 82.789 -7.640 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 39 81.263 -10.149 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.509 -8.066 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.866 -9.721 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 39 80.519 -10.276 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.017 -8.806 -4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 39 82.483 -9.273 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 39 81.659 -8.209 -7.991 1.00 0.00 H new ATOM 574 N ARG A 40 83.216 -11.288 -1.565 1.00 0.00 N ATOM 575 CA ARG A 40 84.339 -12.120 -1.150 1.00 0.00 C ATOM 576 C ARG A 40 84.553 -13.259 -2.147 1.00 0.00 C ATOM 577 O ARG A 40 83.638 -14.055 -2.357 1.00 0.00 O ATOM 578 CB ARG A 40 84.086 -12.675 0.256 1.00 0.00 C ATOM 579 CG ARG A 40 85.411 -12.835 1.008 1.00 0.00 C ATOM 580 CD ARG A 40 85.170 -13.538 2.345 1.00 0.00 C ATOM 581 NE ARG A 40 84.481 -12.643 3.268 1.00 0.00 N ATOM 582 CZ ARG A 40 84.676 -12.714 4.581 1.00 0.00 C ATOM 583 NH1 ARG A 40 84.386 -13.811 5.226 1.00 0.00 N ATOM 584 NH2 ARG A 40 85.203 -11.702 5.215 1.00 0.00 N ATOM 0 H ARG A 40 82.318 -11.553 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 40 85.242 -11.511 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.426 -12.004 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 40 83.579 -13.638 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.113 -13.411 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.863 -11.858 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 40 84.576 -14.439 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.121 -13.854 2.775 1.00 0.00 H new ATOM 0 HE ARG A 40 83.835 -11.946 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 40 84.010 -14.614 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 40 84.536 -13.865 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.464 -10.859 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.354 -11.754 6.222 1.00 0.00 H new ATOM 598 N PRO A 41 85.692 -13.369 -2.782 1.00 0.00 N ATOM 599 CA PRO A 41 85.914 -14.467 -3.763 1.00 0.00 C ATOM 600 C PRO A 41 85.694 -15.829 -3.110 1.00 0.00 C ATOM 601 O PRO A 41 86.403 -16.193 -2.172 1.00 0.00 O ATOM 602 CB PRO A 41 87.359 -14.299 -4.252 1.00 0.00 C ATOM 603 CG PRO A 41 87.947 -13.117 -3.545 1.00 0.00 C ATOM 604 CD PRO A 41 86.874 -12.503 -2.640 1.00 0.00 C ATOM 0 HA PRO A 41 85.212 -14.418 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.940 -15.197 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.382 -14.149 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.811 -13.421 -2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.299 -12.381 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.210 -12.466 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.648 -11.479 -2.939 1.00 0.00 H new ATOM 612 N GLY A 42 84.808 -16.630 -3.696 1.00 0.00 N ATOM 613 CA GLY A 42 84.541 -17.976 -3.197 1.00 0.00 C ATOM 614 C GLY A 42 83.182 -18.058 -2.507 1.00 0.00 C ATOM 615 O GLY A 42 82.648 -19.150 -2.315 1.00 0.00 O ATOM 0 H GLY A 42 84.262 -16.370 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.573 -18.685 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.324 -18.267 -2.497 1.00 0.00 H new ATOM 619 N SER A 43 82.599 -16.908 -2.181 1.00 0.00 N ATOM 620 CA SER A 43 81.315 -16.872 -1.486 1.00 0.00 C ATOM 621 C SER A 43 80.393 -15.827 -2.105 1.00 0.00 C ATOM 622 O SER A 43 80.773 -15.127 -3.043 1.00 0.00 O ATOM 623 CB SER A 43 81.529 -16.537 -0.009 1.00 0.00 C ATOM 624 OG SER A 43 81.828 -15.156 0.123 1.00 0.00 O ATOM 0 H SER A 43 82.994 -15.990 -2.386 1.00 0.00 H new ATOM 0 HA SER A 43 80.852 -17.854 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 80.635 -16.783 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.343 -17.137 0.397 1.00 0.00 H new ATOM 0 HG SER A 43 81.964 -14.940 1.069 1.00 0.00 H new ATOM 630 N SER A 44 79.157 -15.778 -1.616 1.00 0.00 N ATOM 631 CA SER A 44 78.158 -14.867 -2.161 1.00 0.00 C ATOM 632 C SER A 44 78.405 -13.449 -1.650 1.00 0.00 C ATOM 633 O SER A 44 79.321 -13.228 -0.857 1.00 0.00 O ATOM 634 CB SER A 44 76.760 -15.358 -1.765 1.00 0.00 C ATOM 635 OG SER A 44 76.846 -16.716 -1.358 1.00 0.00 O ATOM 0 H SER A 44 78.825 -16.357 -0.845 1.00 0.00 H new ATOM 0 HA SER A 44 78.231 -14.848 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.361 -14.747 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.074 -15.260 -2.606 1.00 0.00 H new ATOM 0 HG SER A 44 76.971 -16.759 -0.387 1.00 0.00 H new ATOM 641 N PRO A 45 77.582 -12.505 -2.023 1.00 0.00 N ATOM 642 CA PRO A 45 77.691 -11.104 -1.525 1.00 0.00 C ATOM 643 C PRO A 45 77.284 -10.989 -0.058 1.00 0.00 C ATOM 644 O PRO A 45 76.464 -11.767 0.430 1.00 0.00 O ATOM 645 CB PRO A 45 76.753 -10.295 -2.434 1.00 0.00 C ATOM 646 CG PRO A 45 76.204 -11.245 -3.452 1.00 0.00 C ATOM 647 CD PRO A 45 76.421 -12.661 -2.914 1.00 0.00 C ATOM 0 HA PRO A 45 78.717 -10.739 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 45 75.948 -9.844 -1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.292 -9.481 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.144 -11.056 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 45 76.708 -11.116 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.546 -13.026 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 45 76.621 -13.371 -3.717 1.00 0.00 H new ATOM 655 N THR A 46 77.820 -9.981 0.625 1.00 0.00 N ATOM 656 CA THR A 46 77.490 -9.734 2.025 1.00 0.00 C ATOM 657 C THR A 46 77.244 -8.248 2.264 1.00 0.00 C ATOM 658 O THR A 46 78.067 -7.406 1.905 1.00 0.00 O ATOM 659 CB THR A 46 78.641 -10.213 2.912 1.00 0.00 C ATOM 660 OG1 THR A 46 78.771 -11.623 2.797 1.00 0.00 O ATOM 661 CG2 THR A 46 78.358 -9.843 4.369 1.00 0.00 C ATOM 0 H THR A 46 78.488 -9.319 0.229 1.00 0.00 H new ATOM 0 HA THR A 46 76.581 -10.282 2.273 1.00 0.00 H new ATOM 0 HB THR A 46 79.567 -9.734 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.509 -11.931 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.180 -10.186 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.260 -8.761 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.432 -10.318 4.692 1.00 0.00 H new ATOM 669 N THR A 47 76.111 -7.929 2.880 1.00 0.00 N ATOM 670 CA THR A 47 75.817 -6.546 3.235 1.00 0.00 C ATOM 671 C THR A 47 76.812 -6.041 4.275 1.00 0.00 C ATOM 672 O THR A 47 76.863 -6.560 5.390 1.00 0.00 O ATOM 673 CB THR A 47 74.388 -6.442 3.773 1.00 0.00 C ATOM 674 OG1 THR A 47 74.229 -7.325 4.874 1.00 0.00 O ATOM 675 CG2 THR A 47 73.392 -6.823 2.675 1.00 0.00 C ATOM 0 H THR A 47 75.389 -8.600 3.141 1.00 0.00 H new ATOM 0 HA THR A 47 75.907 -5.925 2.343 1.00 0.00 H new ATOM 0 HB THR A 47 74.201 -5.417 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 47 75.069 -7.376 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.376 -6.747 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.508 -6.147 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.581 -7.846 2.351 1.00 0.00 H new ATOM 683 N VAL A 48 77.421 -4.890 3.998 1.00 0.00 N ATOM 684 CA VAL A 48 78.426 -4.342 4.904 1.00 0.00 C ATOM 685 C VAL A 48 77.800 -3.301 5.827 1.00 0.00 C ATOM 686 O VAL A 48 78.054 -3.302 7.032 1.00 0.00 O ATOM 687 CB VAL A 48 79.553 -3.680 4.099 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.798 -3.497 4.979 1.00 0.00 C ATOM 689 CG2 VAL A 48 79.872 -4.523 2.855 1.00 0.00 C ATOM 0 H VAL A 48 77.240 -4.327 3.167 1.00 0.00 H new ATOM 0 HA VAL A 48 78.830 -5.159 5.502 1.00 0.00 H new ATOM 0 HB VAL A 48 79.227 -2.693 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.590 -3.027 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.551 -2.865 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.138 -4.470 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.673 -4.047 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.188 -5.520 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 78.982 -4.601 2.230 1.00 0.00 H new ATOM 699 N ILE A 49 76.904 -2.484 5.281 1.00 0.00 N ATOM 700 CA ILE A 49 76.208 -1.474 6.072 1.00 0.00 C ATOM 701 C ILE A 49 74.783 -1.308 5.559 1.00 0.00 C ATOM 702 O ILE A 49 74.485 -1.638 4.411 1.00 0.00 O ATOM 703 CB ILE A 49 77.000 -0.163 5.999 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.365 -0.395 6.662 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.235 0.981 6.674 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.040 0.926 7.034 1.00 0.00 C ATOM 0 H ILE A 49 76.643 -2.501 4.295 1.00 0.00 H new ATOM 0 HA ILE A 49 76.143 -1.780 7.116 1.00 0.00 H new ATOM 0 HB ILE A 49 77.143 0.131 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.237 -1.004 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 79.009 -0.956 5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.820 1.899 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.277 1.124 6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 49 76.063 0.735 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.004 0.723 7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.191 1.523 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.407 1.474 7.732 1.00 0.00 H new ATOM 718 N TYR A 50 73.932 -0.707 6.387 1.00 0.00 N ATOM 719 CA TYR A 50 72.531 -0.501 6.024 1.00 0.00 C ATOM 720 C TYR A 50 72.125 0.949 6.274 1.00 0.00 C ATOM 721 O TYR A 50 72.755 1.659 7.059 1.00 0.00 O ATOM 722 CB TYR A 50 71.643 -1.459 6.832 1.00 0.00 C ATOM 723 CG TYR A 50 70.698 -2.218 5.929 1.00 0.00 C ATOM 724 CD1 TYR A 50 71.220 -3.011 4.900 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.311 -2.110 6.093 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.359 -3.716 4.051 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.449 -2.819 5.247 1.00 0.00 C ATOM 728 CZ TYR A 50 68.974 -3.619 4.226 1.00 0.00 C ATOM 729 OH TYR A 50 68.125 -4.316 3.390 1.00 0.00 O ATOM 0 H TYR A 50 74.186 -0.355 7.310 1.00 0.00 H new ATOM 0 HA TYR A 50 72.402 -0.711 4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.268 -2.162 7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.072 -0.895 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 50 72.289 -3.079 4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.907 -1.480 6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.763 -4.334 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.380 -2.748 5.383 1.00 0.00 H new ATOM 0 HH TYR A 50 67.196 -4.140 3.647 1.00 0.00 H new ATOM 739 N GLU A 51 71.131 1.405 5.518 1.00 0.00 N ATOM 740 CA GLU A 51 70.650 2.777 5.629 1.00 0.00 C ATOM 741 C GLU A 51 71.820 3.751 5.715 1.00 0.00 C ATOM 742 O GLU A 51 71.665 4.896 6.135 1.00 0.00 O ATOM 743 CB GLU A 51 69.795 2.917 6.891 1.00 0.00 C ATOM 744 CG GLU A 51 68.619 1.940 6.827 1.00 0.00 C ATOM 745 CD GLU A 51 67.592 2.424 5.810 1.00 0.00 C ATOM 746 OE1 GLU A 51 66.987 3.455 6.054 1.00 0.00 O ATOM 747 OE2 GLU A 51 67.449 1.777 4.786 1.00 0.00 O ATOM 0 H GLU A 51 70.643 0.843 4.821 1.00 0.00 H new ATOM 0 HA GLU A 51 70.058 3.009 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.399 2.716 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.427 3.939 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.975 0.947 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.156 1.851 7.810 1.00 0.00 H new ATOM 754 N ASP A 52 72.977 3.306 5.242 1.00 0.00 N ATOM 755 CA ASP A 52 74.165 4.149 5.225 1.00 0.00 C ATOM 756 C ASP A 52 74.349 4.854 6.566 1.00 0.00 C ATOM 757 O ASP A 52 75.049 5.862 6.654 1.00 0.00 O ATOM 758 CB ASP A 52 74.054 5.190 4.110 1.00 0.00 C ATOM 759 CG ASP A 52 75.443 5.652 3.681 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.190 6.093 4.540 1.00 0.00 O ATOM 761 OD2 ASP A 52 75.742 5.554 2.502 1.00 0.00 O ATOM 0 H ASP A 52 73.118 2.368 4.866 1.00 0.00 H new ATOM 0 HA ASP A 52 75.031 3.513 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.525 4.765 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.470 6.043 4.455 1.00 0.00 H new ATOM 766 N ASN A 53 73.715 4.325 7.609 1.00 0.00 N ATOM 767 CA ASN A 53 73.786 4.927 8.936 1.00 0.00 C ATOM 768 C ASN A 53 74.565 4.015 9.877 1.00 0.00 C ATOM 769 O ASN A 53 75.264 4.487 10.773 1.00 0.00 O ATOM 770 CB ASN A 53 72.373 5.149 9.485 1.00 0.00 C ATOM 771 CG ASN A 53 71.759 6.405 8.874 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.071 7.519 9.296 1.00 0.00 O ATOM 773 ND2 ASN A 53 70.863 6.291 7.932 1.00 0.00 N ATOM 0 H ASN A 53 73.146 3.480 7.560 1.00 0.00 H new ATOM 0 HA ASN A 53 74.296 5.887 8.863 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.748 4.284 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.408 5.244 10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.421 7.125 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.605 5.368 7.583 1.00 0.00 H new ATOM 780 N GLN A 54 74.472 2.713 9.635 1.00 0.00 N ATOM 781 CA GLN A 54 75.164 1.740 10.470 1.00 0.00 C ATOM 782 C GLN A 54 74.909 0.326 9.961 1.00 0.00 C ATOM 783 O GLN A 54 74.180 0.125 8.991 1.00 0.00 O ATOM 784 CB GLN A 54 74.677 1.844 11.917 1.00 0.00 C ATOM 785 CG GLN A 54 73.143 1.828 11.964 1.00 0.00 C ATOM 786 CD GLN A 54 72.650 1.083 13.201 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.911 1.640 14.014 1.00 0.00 O ATOM 788 NE2 GLN A 54 73.000 -0.162 13.376 1.00 0.00 N ATOM 0 H GLN A 54 73.928 2.309 8.873 1.00 0.00 H new ATOM 0 HA GLN A 54 76.232 1.953 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 75.074 1.015 12.502 1.00 0.00 H new ATOM 0 HB3 GLN A 54 75.052 2.762 12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.764 2.850 11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.751 1.351 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.612 -0.619 12.700 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.661 -0.678 14.188 1.00 0.00 H new ATOM 797 N ARG A 55 75.574 -0.645 10.579 1.00 0.00 N ATOM 798 CA ARG A 55 75.454 -2.038 10.164 1.00 0.00 C ATOM 799 C ARG A 55 74.580 -2.793 11.161 1.00 0.00 C ATOM 800 O ARG A 55 74.602 -2.478 12.351 1.00 0.00 O ATOM 801 CB ARG A 55 76.850 -2.666 10.138 1.00 0.00 C ATOM 802 CG ARG A 55 77.475 -2.594 11.538 1.00 0.00 C ATOM 803 CD ARG A 55 78.972 -2.283 11.468 1.00 0.00 C ATOM 804 NE ARG A 55 79.432 -1.823 12.773 1.00 0.00 N ATOM 805 CZ ARG A 55 79.044 -0.647 13.256 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.565 0.454 12.786 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.057 -0.585 14.108 1.00 0.00 N ATOM 0 H ARG A 55 76.201 -0.493 11.369 1.00 0.00 H new ATOM 0 HA ARG A 55 75.001 -2.092 9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.787 -3.704 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.481 -2.143 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.970 -1.826 12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.323 -3.542 12.055 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.526 -3.172 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.161 -1.520 10.713 1.00 0.00 H new ATOM 0 HE ARG A 55 80.059 -2.411 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.269 0.411 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.268 1.357 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.584 -1.439 14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.759 0.317 14.479 1.00 0.00 H new ATOM 821 N PRO A 56 73.983 -3.887 10.766 1.00 0.00 N ATOM 822 CA PRO A 56 73.111 -4.666 11.687 1.00 0.00 C ATOM 823 C PRO A 56 73.875 -5.063 12.947 1.00 0.00 C ATOM 824 O PRO A 56 75.100 -4.948 12.993 1.00 0.00 O ATOM 825 CB PRO A 56 72.681 -5.896 10.874 1.00 0.00 C ATOM 826 CG PRO A 56 73.372 -5.804 9.550 1.00 0.00 C ATOM 827 CD PRO A 56 73.835 -4.356 9.379 1.00 0.00 C ATOM 0 HA PRO A 56 72.250 -4.092 12.031 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.956 -6.816 11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.599 -5.915 10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.221 -6.486 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.697 -6.090 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.775 -4.295 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.106 -3.762 8.828 1.00 0.00 H new ATOM 835 N SER A 57 73.143 -5.313 14.026 1.00 0.00 N ATOM 836 CA SER A 57 73.780 -5.743 15.264 1.00 0.00 C ATOM 837 C SER A 57 74.306 -7.168 15.126 1.00 0.00 C ATOM 838 O SER A 57 73.570 -8.070 14.725 1.00 0.00 O ATOM 839 CB SER A 57 72.789 -5.659 16.427 1.00 0.00 C ATOM 840 OG SER A 57 72.672 -4.306 16.841 1.00 0.00 O ATOM 0 H SER A 57 72.128 -5.228 14.070 1.00 0.00 H new ATOM 0 HA SER A 57 74.620 -5.079 15.468 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.816 -6.044 16.121 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.130 -6.278 17.257 1.00 0.00 H new ATOM 0 HG SER A 57 72.037 -4.245 17.585 1.00 0.00 H new ATOM 846 N GLY A 58 75.505 -7.398 15.653 1.00 0.00 N ATOM 847 CA GLY A 58 76.081 -8.738 15.688 1.00 0.00 C ATOM 848 C GLY A 58 77.182 -8.899 14.644 1.00 0.00 C ATOM 849 O GLY A 58 78.209 -9.523 14.911 1.00 0.00 O ATOM 0 H GLY A 58 76.096 -6.674 16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.487 -8.935 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.299 -9.476 15.511 1.00 0.00 H new ATOM 853 N VAL A 59 77.002 -8.290 13.475 1.00 0.00 N ATOM 854 CA VAL A 59 77.993 -8.421 12.413 1.00 0.00 C ATOM 855 C VAL A 59 79.230 -7.586 12.738 1.00 0.00 C ATOM 856 O VAL A 59 79.117 -6.561 13.410 1.00 0.00 O ATOM 857 CB VAL A 59 77.396 -7.966 11.076 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.369 -8.982 10.547 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.742 -6.590 11.252 1.00 0.00 C ATOM 0 H VAL A 59 76.195 -7.712 13.242 1.00 0.00 H new ATOM 0 HA VAL A 59 78.284 -9.469 12.336 1.00 0.00 H new ATOM 0 HB VAL A 59 78.200 -7.898 10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.964 -8.630 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.854 -9.947 10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.559 -9.090 11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.317 -6.265 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.952 -6.656 12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.492 -5.870 11.579 1.00 0.00 H new ATOM 869 N PRO A 60 80.376 -7.922 12.206 1.00 0.00 N ATOM 870 CA PRO A 60 81.634 -7.197 12.539 1.00 0.00 C ATOM 871 C PRO A 60 81.454 -5.692 12.370 1.00 0.00 C ATOM 872 O PRO A 60 80.549 -5.249 11.662 1.00 0.00 O ATOM 873 CB PRO A 60 82.676 -7.748 11.555 1.00 0.00 C ATOM 874 CG PRO A 60 82.009 -8.844 10.780 1.00 0.00 C ATOM 875 CD PRO A 60 80.679 -9.160 11.470 1.00 0.00 C ATOM 0 HA PRO A 60 81.936 -7.347 13.576 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.029 -6.962 10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.547 -8.128 12.088 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.841 -8.535 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.643 -9.730 10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.898 -9.400 10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.767 -10.015 12.140 1.00 0.00 H new ATOM 883 N ASP A 61 82.374 -4.919 12.937 1.00 0.00 N ATOM 884 CA ASP A 61 82.340 -3.467 12.800 1.00 0.00 C ATOM 885 C ASP A 61 83.353 -3.003 11.760 1.00 0.00 C ATOM 886 O ASP A 61 83.299 -3.429 10.607 1.00 0.00 O ATOM 887 CB ASP A 61 82.623 -2.805 14.150 1.00 0.00 C ATOM 888 CG ASP A 61 81.556 -3.219 15.159 1.00 0.00 C ATOM 889 OD1 ASP A 61 80.410 -2.853 14.962 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.890 -3.952 16.075 1.00 0.00 O ATOM 0 H ASP A 61 83.151 -5.273 13.495 1.00 0.00 H new ATOM 0 HA ASP A 61 81.345 -3.173 12.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 83.610 -3.097 14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 82.632 -1.721 14.040 1.00 0.00 H new ATOM 895 N ARG A 62 84.350 -2.249 12.211 1.00 0.00 N ATOM 896 CA ARG A 62 85.406 -1.774 11.325 1.00 0.00 C ATOM 897 C ARG A 62 84.845 -0.846 10.252 1.00 0.00 C ATOM 898 O ARG A 62 85.206 0.330 10.202 1.00 0.00 O ATOM 899 CB ARG A 62 86.121 -2.960 10.673 1.00 0.00 C ATOM 900 CG ARG A 62 86.358 -4.051 11.720 1.00 0.00 C ATOM 901 CD ARG A 62 87.352 -5.079 11.176 1.00 0.00 C ATOM 902 NE ARG A 62 86.762 -5.799 10.052 1.00 0.00 N ATOM 903 CZ ARG A 62 87.300 -5.771 8.835 1.00 0.00 C ATOM 904 NH1 ARG A 62 88.589 -5.633 8.695 1.00 0.00 N ATOM 905 NH2 ARG A 62 86.529 -5.798 7.783 1.00 0.00 N ATOM 0 H ARG A 62 84.449 -1.954 13.183 1.00 0.00 H new ATOM 0 HA ARG A 62 86.122 -1.210 11.923 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.522 -3.353 9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 62 87.071 -2.637 10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.743 -3.609 12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.416 -4.539 11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.267 -4.579 10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.629 -5.781 11.963 1.00 0.00 H new ATOM 0 HE ARG A 62 85.911 -6.340 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 62 89.185 -5.547 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 62 89.001 -5.612 7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 62 85.516 -5.840 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 62 86.939 -5.777 6.849 1.00 0.00 H new ATOM 919 N PHE A 63 83.908 -1.345 9.452 1.00 0.00 N ATOM 920 CA PHE A 63 83.327 -0.556 8.370 1.00 0.00 C ATOM 921 C PHE A 63 82.261 0.391 8.910 1.00 0.00 C ATOM 922 O PHE A 63 81.413 0.004 9.712 1.00 0.00 O ATOM 923 CB PHE A 63 82.747 -1.476 7.288 1.00 0.00 C ATOM 924 CG PHE A 63 82.348 -2.800 7.894 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.085 -2.958 8.477 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.279 -3.843 7.954 1.00 0.00 C ATOM 927 CE1 PHE A 63 80.680 -4.221 8.926 1.00 0.00 C ATOM 928 CE2 PHE A 63 82.903 -5.084 8.483 1.00 0.00 C ATOM 929 CZ PHE A 63 81.603 -5.274 8.967 1.00 0.00 C ATOM 0 H PHE A 63 83.535 -2.291 9.532 1.00 0.00 H new ATOM 0 HA PHE A 63 84.115 0.046 7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.881 -1.004 6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.484 -1.635 6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.426 -2.109 8.580 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.286 -3.691 7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 63 79.659 -4.383 9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.616 -5.895 8.518 1.00 0.00 H new ATOM 0 HZ PHE A 63 81.312 -6.232 9.372 1.00 0.00 H new ATOM 939 N SER A 64 82.272 1.617 8.394 1.00 0.00 N ATOM 940 CA SER A 64 81.253 2.600 8.762 1.00 0.00 C ATOM 941 C SER A 64 80.804 3.398 7.543 1.00 0.00 C ATOM 942 O SER A 64 81.636 3.785 6.725 1.00 0.00 O ATOM 943 CB SER A 64 81.788 3.563 9.825 1.00 0.00 C ATOM 944 OG SER A 64 80.955 4.712 9.883 1.00 0.00 O ATOM 0 H SER A 64 82.967 1.953 7.727 1.00 0.00 H new ATOM 0 HA SER A 64 80.400 2.055 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 64 81.815 3.070 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.811 3.854 9.586 1.00 0.00 H new ATOM 0 HG SER A 64 81.295 5.329 10.564 1.00 0.00 H new ATOM 950 N GLY A 65 79.497 3.615 7.414 1.00 0.00 N ATOM 951 CA GLY A 65 78.948 4.355 6.282 1.00 0.00 C ATOM 952 C GLY A 65 78.712 5.819 6.637 1.00 0.00 C ATOM 953 O GLY A 65 78.263 6.131 7.741 1.00 0.00 O ATOM 0 H GLY A 65 78.798 3.288 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.632 4.290 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.009 3.899 5.968 1.00 0.00 H new ATOM 957 N SER A 66 78.861 6.695 5.646 1.00 0.00 N ATOM 958 CA SER A 66 78.595 8.118 5.833 1.00 0.00 C ATOM 959 C SER A 66 77.986 8.712 4.565 1.00 0.00 C ATOM 960 O SER A 66 78.297 8.273 3.458 1.00 0.00 O ATOM 961 CB SER A 66 79.897 8.841 6.193 1.00 0.00 C ATOM 962 OG SER A 66 79.626 9.844 7.163 1.00 0.00 O ATOM 0 H SER A 66 79.165 6.444 4.705 1.00 0.00 H new ATOM 0 HA SER A 66 77.882 8.246 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.625 8.130 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.335 9.290 5.302 1.00 0.00 H new ATOM 0 HG SER A 66 80.458 10.307 7.396 1.00 0.00 H new ATOM 968 N ILE A 67 77.201 9.774 4.726 1.00 0.00 N ATOM 969 CA ILE A 67 76.551 10.429 3.594 1.00 0.00 C ATOM 970 C ILE A 67 76.794 11.933 3.625 1.00 0.00 C ATOM 971 O ILE A 67 76.923 12.533 4.692 1.00 0.00 O ATOM 972 CB ILE A 67 75.048 10.138 3.623 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.515 10.473 5.019 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.786 8.667 3.265 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.990 10.354 5.046 1.00 0.00 C ATOM 0 H ILE A 67 76.999 10.200 5.631 1.00 0.00 H new ATOM 0 HA ILE A 67 76.978 10.034 2.672 1.00 0.00 H new ATOM 0 HB ILE A 67 74.530 10.751 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.953 9.798 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.813 11.484 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.714 8.472 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.170 8.462 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.288 8.022 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.624 10.595 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.558 11.047 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.700 9.335 4.789 1.00 0.00 H new ATOM 987 N ASP A 68 76.974 12.507 2.440 1.00 0.00 N ATOM 988 CA ASP A 68 77.299 13.924 2.304 1.00 0.00 C ATOM 989 C ASP A 68 76.265 14.628 1.434 1.00 0.00 C ATOM 990 O ASP A 68 76.540 14.954 0.280 1.00 0.00 O ATOM 991 CB ASP A 68 78.674 14.081 1.656 1.00 0.00 C ATOM 992 CG ASP A 68 79.752 13.488 2.558 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.434 13.161 3.689 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.891 13.423 2.126 1.00 0.00 O ATOM 0 H ASP A 68 76.900 12.009 1.553 1.00 0.00 H new ATOM 0 HA ASP A 68 77.301 14.371 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.686 13.583 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.881 15.136 1.475 1.00 0.00 H new ATOM 999 N SER A 69 75.177 15.063 2.058 1.00 0.00 N ATOM 1000 CA SER A 69 74.151 15.801 1.333 1.00 0.00 C ATOM 1001 C SER A 69 74.787 16.916 0.510 1.00 0.00 C ATOM 1002 O SER A 69 74.212 17.379 -0.476 1.00 0.00 O ATOM 1003 CB SER A 69 73.140 16.393 2.317 1.00 0.00 C ATOM 1004 OG SER A 69 73.785 17.363 3.129 1.00 0.00 O ATOM 0 H SER A 69 74.984 14.920 3.049 1.00 0.00 H new ATOM 0 HA SER A 69 73.635 15.116 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.312 16.849 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.717 15.605 2.940 1.00 0.00 H new ATOM 0 HG SER A 69 73.138 17.745 3.759 1.00 0.00 H new ATOM 1010 N SER A 70 75.938 17.399 0.969 1.00 0.00 N ATOM 1011 CA SER A 70 76.618 18.505 0.304 1.00 0.00 C ATOM 1012 C SER A 70 77.518 18.014 -0.826 1.00 0.00 C ATOM 1013 O SER A 70 77.453 18.520 -1.946 1.00 0.00 O ATOM 1014 CB SER A 70 77.485 19.241 1.326 1.00 0.00 C ATOM 1015 OG SER A 70 76.732 19.479 2.506 1.00 0.00 O ATOM 0 H SER A 70 76.418 17.043 1.796 1.00 0.00 H new ATOM 0 HA SER A 70 75.858 19.163 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.370 18.649 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.834 20.185 0.909 1.00 0.00 H new ATOM 0 HG SER A 70 77.290 19.949 3.161 1.00 0.00 H new ATOM 1021 N SER A 71 78.376 17.045 -0.520 1.00 0.00 N ATOM 1022 CA SER A 71 79.334 16.556 -1.505 1.00 0.00 C ATOM 1023 C SER A 71 78.631 15.631 -2.491 1.00 0.00 C ATOM 1024 O SER A 71 79.268 14.984 -3.322 1.00 0.00 O ATOM 1025 CB SER A 71 80.481 15.816 -0.813 1.00 0.00 C ATOM 1026 OG SER A 71 81.602 15.767 -1.684 1.00 0.00 O ATOM 0 H SER A 71 78.428 16.588 0.390 1.00 0.00 H new ATOM 0 HA SER A 71 79.749 17.406 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.749 16.322 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.169 14.806 -0.546 1.00 0.00 H new ATOM 0 HG SER A 71 81.318 15.445 -2.565 1.00 0.00 H new ATOM 1032 N ASN A 72 77.329 15.468 -2.285 1.00 0.00 N ATOM 1033 CA ASN A 72 76.529 14.626 -3.168 1.00 0.00 C ATOM 1034 C ASN A 72 77.204 13.272 -3.364 1.00 0.00 C ATOM 1035 O ASN A 72 77.118 12.683 -4.442 1.00 0.00 O ATOM 1036 CB ASN A 72 76.321 15.308 -4.524 1.00 0.00 C ATOM 1037 CG ASN A 72 75.069 14.768 -5.212 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.999 15.369 -5.109 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.126 13.652 -5.886 1.00 0.00 N ATOM 0 H ASN A 72 76.809 15.902 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 72 75.555 14.473 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.230 16.385 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.192 15.141 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.285 13.279 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.011 13.153 -5.972 1.00 0.00 H new ATOM 1046 N SER A 73 77.899 12.788 -2.337 1.00 0.00 N ATOM 1047 CA SER A 73 78.592 11.506 -2.436 1.00 0.00 C ATOM 1048 C SER A 73 78.582 10.794 -1.088 1.00 0.00 C ATOM 1049 O SER A 73 78.584 11.440 -0.042 1.00 0.00 O ATOM 1050 CB SER A 73 80.039 11.732 -2.882 1.00 0.00 C ATOM 1051 OG SER A 73 80.877 11.856 -1.742 1.00 0.00 O ATOM 0 H SER A 73 77.997 13.258 -1.437 1.00 0.00 H new ATOM 0 HA SER A 73 78.077 10.886 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.373 10.900 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.105 12.632 -3.494 1.00 0.00 H new ATOM 0 HG SER A 73 81.803 11.999 -2.030 1.00 0.00 H new ATOM 1057 N ALA A 74 78.708 9.470 -1.096 1.00 0.00 N ATOM 1058 CA ALA A 74 78.625 8.699 0.141 1.00 0.00 C ATOM 1059 C ALA A 74 79.996 8.117 0.467 1.00 0.00 C ATOM 1060 O ALA A 74 80.640 7.503 -0.383 1.00 0.00 O ATOM 1061 CB ALA A 74 77.586 7.580 -0.013 1.00 0.00 C ATOM 0 H ALA A 74 78.866 8.913 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 74 78.314 9.349 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.528 7.008 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.611 8.016 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.880 6.920 -0.830 1.00 0.00 H new ATOM 1067 N SER A 75 80.470 8.407 1.676 1.00 0.00 N ATOM 1068 CA SER A 75 81.812 8.021 2.102 1.00 0.00 C ATOM 1069 C SER A 75 81.749 7.082 3.302 1.00 0.00 C ATOM 1070 O SER A 75 80.997 7.326 4.245 1.00 0.00 O ATOM 1071 CB SER A 75 82.615 9.267 2.478 1.00 0.00 C ATOM 1072 OG SER A 75 82.482 10.239 1.452 1.00 0.00 O ATOM 0 H SER A 75 79.938 8.913 2.384 1.00 0.00 H new ATOM 0 HA SER A 75 82.298 7.504 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.259 9.671 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.665 9.009 2.616 1.00 0.00 H new ATOM 0 HG SER A 75 82.994 11.039 1.691 1.00 0.00 H new ATOM 1078 N LEU A 76 82.410 5.933 3.183 1.00 0.00 N ATOM 1079 CA LEU A 76 82.480 4.969 4.279 1.00 0.00 C ATOM 1080 C LEU A 76 83.841 5.060 4.963 1.00 0.00 C ATOM 1081 O LEU A 76 84.864 5.190 4.296 1.00 0.00 O ATOM 1082 CB LEU A 76 82.173 3.556 3.756 1.00 0.00 C ATOM 1083 CG LEU A 76 83.100 2.472 4.329 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.509 1.072 4.108 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.507 2.566 3.716 1.00 0.00 C ATOM 0 H LEU A 76 82.905 5.646 2.338 1.00 0.00 H new ATOM 0 HA LEU A 76 81.726 5.203 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.141 3.304 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.255 3.554 2.669 1.00 0.00 H new ATOM 0 HG LEU A 76 83.185 2.642 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.184 0.323 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.541 1.003 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.382 0.895 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.141 1.787 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.443 2.434 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.936 3.543 3.937 1.00 0.00 H new ATOM 1097 N THR A 77 83.853 5.004 6.291 1.00 0.00 N ATOM 1098 CA THR A 77 85.104 4.974 7.043 1.00 0.00 C ATOM 1099 C THR A 77 85.358 3.583 7.616 1.00 0.00 C ATOM 1100 O THR A 77 84.580 3.072 8.421 1.00 0.00 O ATOM 1101 CB THR A 77 85.052 5.995 8.183 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.902 7.297 7.635 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.343 5.933 9.007 1.00 0.00 C ATOM 0 H THR A 77 83.013 4.978 6.868 1.00 0.00 H new ATOM 0 HA THR A 77 85.918 5.226 6.363 1.00 0.00 H new ATOM 0 HB THR A 77 84.207 5.766 8.833 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.866 7.955 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.295 6.663 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.459 4.934 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.195 6.157 8.366 1.00 0.00 H new ATOM 1111 N ILE A 78 86.482 2.985 7.237 1.00 0.00 N ATOM 1112 CA ILE A 78 86.861 1.667 7.738 1.00 0.00 C ATOM 1113 C ILE A 78 87.982 1.816 8.761 1.00 0.00 C ATOM 1114 O ILE A 78 88.992 2.464 8.492 1.00 0.00 O ATOM 1115 CB ILE A 78 87.293 0.801 6.549 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.094 0.057 5.949 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.367 -0.217 6.947 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.447 -0.563 4.592 1.00 0.00 C ATOM 0 H ILE A 78 87.149 3.393 6.582 1.00 0.00 H new ATOM 0 HA ILE A 78 86.020 1.183 8.235 1.00 0.00 H new ATOM 0 HB ILE A 78 87.713 1.477 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.768 -0.725 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.258 0.746 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.646 -0.811 6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.244 0.308 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.976 -0.874 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.577 -1.083 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.749 0.223 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.267 -1.270 4.717 1.00 0.00 H new ATOM 1130 N SER A 79 87.867 1.082 9.865 1.00 0.00 N ATOM 1131 CA SER A 79 88.881 1.102 10.915 1.00 0.00 C ATOM 1132 C SER A 79 89.457 -0.294 11.131 1.00 0.00 C ATOM 1133 O SER A 79 88.719 -1.267 11.282 1.00 0.00 O ATOM 1134 CB SER A 79 88.274 1.662 12.205 1.00 0.00 C ATOM 1135 OG SER A 79 89.078 2.737 12.669 1.00 0.00 O ATOM 0 H SER A 79 87.078 0.464 10.056 1.00 0.00 H new ATOM 0 HA SER A 79 89.702 1.751 10.610 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.256 2.005 12.023 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.216 0.881 12.963 1.00 0.00 H new ATOM 0 HG SER A 79 88.693 3.101 13.494 1.00 0.00 H new ATOM 1141 N GLY A 80 90.782 -0.369 11.213 1.00 0.00 N ATOM 1142 CA GLY A 80 91.455 -1.637 11.466 1.00 0.00 C ATOM 1143 C GLY A 80 91.271 -2.599 10.297 1.00 0.00 C ATOM 1144 O GLY A 80 90.649 -3.652 10.439 1.00 0.00 O ATOM 0 H GLY A 80 91.408 0.430 11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.518 -1.461 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.060 -2.087 12.377 1.00 0.00 H new ATOM 1148 N LEU A 81 91.801 -2.221 9.138 1.00 0.00 N ATOM 1149 CA LEU A 81 91.709 -3.059 7.949 1.00 0.00 C ATOM 1150 C LEU A 81 92.744 -4.178 7.984 1.00 0.00 C ATOM 1151 O LEU A 81 93.911 -3.952 8.305 1.00 0.00 O ATOM 1152 CB LEU A 81 91.946 -2.199 6.706 1.00 0.00 C ATOM 1153 CG LEU A 81 93.374 -1.629 6.722 1.00 0.00 C ATOM 1154 CD1 LEU A 81 94.273 -2.382 5.736 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.358 -0.149 6.339 1.00 0.00 C ATOM 0 H LEU A 81 92.298 -1.341 8.998 1.00 0.00 H new ATOM 0 HA LEU A 81 90.715 -3.506 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.795 -2.796 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.222 -1.385 6.674 1.00 0.00 H new ATOM 0 HG LEU A 81 93.767 -1.747 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 81 95.278 -1.961 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 81 94.313 -3.436 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.868 -2.286 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.375 0.242 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.941 -0.037 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.746 0.405 7.051 1.00 0.00 H new ATOM 1167 N LYS A 82 92.287 -5.408 7.770 1.00 0.00 N ATOM 1168 CA LYS A 82 93.166 -6.572 7.816 1.00 0.00 C ATOM 1169 C LYS A 82 92.843 -7.507 6.655 1.00 0.00 C ATOM 1170 O LYS A 82 91.894 -7.272 5.908 1.00 0.00 O ATOM 1171 CB LYS A 82 92.986 -7.316 9.142 1.00 0.00 C ATOM 1172 CG LYS A 82 93.102 -6.338 10.314 1.00 0.00 C ATOM 1173 CD LYS A 82 92.689 -7.027 11.616 1.00 0.00 C ATOM 1174 CE LYS A 82 93.640 -8.185 11.924 1.00 0.00 C ATOM 1175 NZ LYS A 82 93.522 -8.544 13.365 1.00 0.00 N ATOM 0 H LYS A 82 91.312 -5.625 7.563 1.00 0.00 H new ATOM 0 HA LYS A 82 94.200 -6.238 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 82 92.013 -7.807 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.740 -8.098 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.127 -5.975 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.469 -5.469 10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.701 -6.309 12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 82 91.668 -7.398 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.398 -9.046 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.666 -7.901 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.167 -9.331 13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.773 -7.721 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 92.544 -8.831 13.572 1.00 0.00 H new ATOM 1189 N THR A 83 93.661 -8.538 6.471 1.00 0.00 N ATOM 1190 CA THR A 83 93.441 -9.488 5.388 1.00 0.00 C ATOM 1191 C THR A 83 91.994 -9.959 5.362 1.00 0.00 C ATOM 1192 O THR A 83 91.410 -10.167 4.298 1.00 0.00 O ATOM 1193 CB THR A 83 94.371 -10.689 5.576 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.331 -11.100 6.935 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.804 -10.287 5.215 1.00 0.00 C ATOM 0 H THR A 83 94.475 -8.736 7.052 1.00 0.00 H new ATOM 0 HA THR A 83 93.656 -8.994 4.440 1.00 0.00 H new ATOM 0 HB THR A 83 94.048 -11.506 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.924 -11.870 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.466 -11.142 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.839 -9.960 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.128 -9.472 5.863 1.00 0.00 H new ATOM 1203 N GLU A 84 91.419 -10.078 6.551 1.00 0.00 N ATOM 1204 CA GLU A 84 90.012 -10.441 6.663 1.00 0.00 C ATOM 1205 C GLU A 84 89.149 -9.476 5.857 1.00 0.00 C ATOM 1206 O GLU A 84 87.943 -9.683 5.717 1.00 0.00 O ATOM 1207 CB GLU A 84 89.577 -10.427 8.130 1.00 0.00 C ATOM 1208 CG GLU A 84 90.175 -11.639 8.847 1.00 0.00 C ATOM 1209 CD GLU A 84 89.871 -11.566 10.339 1.00 0.00 C ATOM 1210 OE1 GLU A 84 89.378 -10.538 10.773 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.160 -12.529 11.031 1.00 0.00 O ATOM 0 H GLU A 84 91.896 -9.931 7.440 1.00 0.00 H new ATOM 0 HA GLU A 84 89.882 -11.447 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.908 -9.506 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.489 -10.450 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 84 89.765 -12.558 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 91.253 -11.670 8.688 1.00 0.00 H new ATOM 1218 N ASP A 85 89.767 -8.416 5.342 1.00 0.00 N ATOM 1219 CA ASP A 85 89.061 -7.432 4.526 1.00 0.00 C ATOM 1220 C ASP A 85 89.447 -7.596 3.059 1.00 0.00 C ATOM 1221 O ASP A 85 88.660 -7.273 2.169 1.00 0.00 O ATOM 1222 CB ASP A 85 89.399 -6.022 5.032 1.00 0.00 C ATOM 1223 CG ASP A 85 88.147 -5.167 5.213 1.00 0.00 C ATOM 1224 OD1 ASP A 85 87.187 -5.399 4.497 1.00 0.00 O ATOM 1225 OD2 ASP A 85 88.118 -4.405 6.165 1.00 0.00 O ATOM 0 H ASP A 85 90.758 -8.216 5.476 1.00 0.00 H new ATOM 0 HA ASP A 85 87.985 -7.586 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.930 -6.094 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 85 90.072 -5.535 4.327 1.00 0.00 H new ATOM 1230 N GLU A 86 90.651 -8.103 2.806 1.00 0.00 N ATOM 1231 CA GLU A 86 91.111 -8.287 1.434 1.00 0.00 C ATOM 1232 C GLU A 86 90.000 -8.833 0.542 1.00 0.00 C ATOM 1233 O GLU A 86 89.750 -10.038 0.525 1.00 0.00 O ATOM 1234 CB GLU A 86 92.287 -9.267 1.415 1.00 0.00 C ATOM 1235 CG GLU A 86 93.067 -9.109 0.109 1.00 0.00 C ATOM 1236 CD GLU A 86 94.028 -10.278 -0.077 1.00 0.00 C ATOM 1237 OE1 GLU A 86 93.842 -11.285 0.586 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.930 -10.155 -0.890 1.00 0.00 O ATOM 0 H GLU A 86 91.317 -8.390 3.523 1.00 0.00 H new ATOM 0 HA GLU A 86 91.418 -7.314 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.942 -9.081 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.922 -10.290 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.375 -9.060 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.622 -8.171 0.120 1.00 0.00 H new ATOM 1245 N ALA A 87 89.299 -7.946 -0.157 1.00 0.00 N ATOM 1246 CA ALA A 87 88.199 -8.381 -1.011 1.00 0.00 C ATOM 1247 C ALA A 87 87.660 -7.219 -1.841 1.00 0.00 C ATOM 1248 O ALA A 87 88.223 -6.124 -1.833 1.00 0.00 O ATOM 1249 CB ALA A 87 87.091 -8.987 -0.142 1.00 0.00 C ATOM 0 H ALA A 87 89.468 -6.940 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 87 88.566 -9.138 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.268 -9.313 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.486 -9.842 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.731 -8.238 0.563 1.00 0.00 H new ATOM 1255 N ASP A 88 86.520 -7.442 -2.490 1.00 0.00 N ATOM 1256 CA ASP A 88 85.884 -6.412 -3.305 1.00 0.00 C ATOM 1257 C ASP A 88 84.740 -5.745 -2.549 1.00 0.00 C ATOM 1258 O ASP A 88 83.938 -6.414 -1.898 1.00 0.00 O ATOM 1259 CB ASP A 88 85.367 -7.012 -4.613 1.00 0.00 C ATOM 1260 CG ASP A 88 86.536 -7.352 -5.531 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.535 -6.655 -5.464 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.355 -8.194 -6.396 1.00 0.00 O ATOM 0 H ASP A 88 86.017 -8.329 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 88 86.633 -5.654 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.784 -7.910 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.700 -6.306 -5.107 1.00 0.00 H new ATOM 1267 N TYR A 89 84.578 -4.444 -2.773 1.00 0.00 N ATOM 1268 CA TYR A 89 83.534 -3.662 -2.115 1.00 0.00 C ATOM 1269 C TYR A 89 82.483 -3.244 -3.140 1.00 0.00 C ATOM 1270 O TYR A 89 82.755 -3.203 -4.340 1.00 0.00 O ATOM 1271 CB TYR A 89 84.162 -2.420 -1.465 1.00 0.00 C ATOM 1272 CG TYR A 89 84.455 -2.668 -0.003 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.637 -3.312 0.380 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.542 -2.243 0.970 1.00 0.00 C ATOM 1275 CE1 TYR A 89 85.896 -3.550 1.736 1.00 0.00 C ATOM 1276 CE2 TYR A 89 83.799 -2.488 2.325 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.966 -3.160 2.707 1.00 0.00 C ATOM 1278 OH TYR A 89 85.223 -3.395 4.042 1.00 0.00 O ATOM 0 H TYR A 89 85.162 -3.904 -3.411 1.00 0.00 H new ATOM 0 HA TYR A 89 83.054 -4.265 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.083 -2.158 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.486 -1.571 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.349 -3.625 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.640 -1.727 0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 89 86.814 -4.035 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.096 -2.158 3.076 1.00 0.00 H new ATOM 0 HH TYR A 89 85.901 -4.098 4.126 1.00 0.00 H new ATOM 1288 N TYR A 90 81.295 -2.900 -2.651 1.00 0.00 N ATOM 1289 CA TYR A 90 80.193 -2.504 -3.522 1.00 0.00 C ATOM 1290 C TYR A 90 79.269 -1.518 -2.809 1.00 0.00 C ATOM 1291 O TYR A 90 79.160 -1.542 -1.583 1.00 0.00 O ATOM 1292 CB TYR A 90 79.425 -3.760 -3.952 1.00 0.00 C ATOM 1293 CG TYR A 90 80.046 -4.365 -5.190 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.142 -5.231 -5.079 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.491 -4.102 -6.447 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.709 -5.791 -6.230 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.068 -4.648 -7.600 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.184 -5.487 -7.492 1.00 0.00 C ATOM 1299 OH TYR A 90 81.735 -6.051 -8.624 1.00 0.00 O ATOM 0 H TYR A 90 81.071 -2.888 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 90 80.588 -2.002 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.429 -4.490 -3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.383 -3.507 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.549 -5.466 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.615 -3.476 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.553 -6.459 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 90 79.653 -4.422 -8.571 1.00 0.00 H new ATOM 0 HH TYR A 90 81.251 -5.735 -9.416 1.00 0.00 H new ATOM 1309 N CYS A 91 78.628 -0.635 -3.577 1.00 0.00 N ATOM 1310 CA CYS A 91 77.742 0.394 -3.031 1.00 0.00 C ATOM 1311 C CYS A 91 76.452 0.437 -3.851 1.00 0.00 C ATOM 1312 O CYS A 91 76.454 0.058 -5.022 1.00 0.00 O ATOM 1313 CB CYS A 91 78.477 1.751 -2.994 1.00 0.00 C ATOM 1314 SG CYS A 91 77.999 2.932 -4.293 1.00 0.00 S ATOM 0 H CYS A 91 78.708 -0.613 -4.594 1.00 0.00 H new ATOM 0 HA CYS A 91 77.466 0.157 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.301 2.214 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 91 79.549 1.567 -3.070 1.00 0.00 H new ATOM 1319 N GLN A 92 75.317 0.640 -3.183 1.00 0.00 N ATOM 1320 CA GLN A 92 74.019 0.656 -3.856 1.00 0.00 C ATOM 1321 C GLN A 92 73.216 1.890 -3.456 1.00 0.00 C ATOM 1322 O GLN A 92 73.127 2.226 -2.275 1.00 0.00 O ATOM 1323 CB GLN A 92 73.196 -0.590 -3.518 1.00 0.00 C ATOM 1324 CG GLN A 92 73.918 -1.850 -4.003 1.00 0.00 C ATOM 1325 CD GLN A 92 72.951 -3.029 -4.055 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.212 -3.274 -3.101 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.919 -3.788 -5.117 1.00 0.00 N ATOM 0 H GLN A 92 75.270 0.796 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 92 74.219 0.674 -4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.034 -0.647 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.213 -0.523 -3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.343 -1.676 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.748 -2.081 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.531 -3.585 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.282 -4.584 -5.156 1.00 0.00 H new ATOM 1336 N SER A 93 72.593 2.531 -4.441 1.00 0.00 N ATOM 1337 CA SER A 93 71.774 3.718 -4.207 1.00 0.00 C ATOM 1338 C SER A 93 70.332 3.467 -4.637 1.00 0.00 C ATOM 1339 O SER A 93 70.050 2.503 -5.348 1.00 0.00 O ATOM 1340 CB SER A 93 72.343 4.898 -4.998 1.00 0.00 C ATOM 1341 OG SER A 93 71.913 4.813 -6.349 1.00 0.00 O ATOM 0 H SER A 93 72.641 2.245 -5.419 1.00 0.00 H new ATOM 0 HA SER A 93 71.788 3.947 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.011 5.838 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.432 4.890 -4.950 1.00 0.00 H new ATOM 0 HG SER A 93 72.276 5.569 -6.856 1.00 0.00 H new ATOM 1347 N TYR A 94 69.426 4.353 -4.231 1.00 0.00 N ATOM 1348 CA TYR A 94 68.013 4.234 -4.584 1.00 0.00 C ATOM 1349 C TYR A 94 67.512 5.523 -5.228 1.00 0.00 C ATOM 1350 O TYR A 94 67.898 6.622 -4.832 1.00 0.00 O ATOM 1351 CB TYR A 94 67.194 3.928 -3.325 1.00 0.00 C ATOM 1352 CG TYR A 94 67.138 2.438 -3.077 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.177 1.796 -2.393 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.056 1.694 -3.563 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.129 0.412 -2.187 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.014 0.308 -3.370 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.044 -0.331 -2.671 1.00 0.00 C ATOM 1358 OH TYR A 94 66.998 -1.696 -2.470 1.00 0.00 O ATOM 0 H TYR A 94 69.646 5.165 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 94 67.896 3.421 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.638 4.429 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.184 4.322 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.015 2.368 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.253 2.190 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.928 -0.083 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.187 -0.267 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 94 66.179 -2.058 -2.868 1.00 0.00 H new ATOM 1368 N ASP A 95 66.634 5.371 -6.215 1.00 0.00 N ATOM 1369 CA ASP A 95 66.052 6.510 -6.919 1.00 0.00 C ATOM 1370 C ASP A 95 64.684 6.855 -6.341 1.00 0.00 C ATOM 1371 O ASP A 95 64.255 6.275 -5.343 1.00 0.00 O ATOM 1372 CB ASP A 95 65.907 6.176 -8.406 1.00 0.00 C ATOM 1373 CG ASP A 95 67.270 6.231 -9.090 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.258 6.373 -8.389 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.302 6.165 -10.308 1.00 0.00 O ATOM 0 H ASP A 95 66.308 4.464 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 95 66.712 7.369 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.472 5.183 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.224 6.881 -8.880 1.00 0.00 H new ATOM 1380 N SER A 96 64.013 7.819 -6.962 1.00 0.00 N ATOM 1381 CA SER A 96 62.688 8.230 -6.511 1.00 0.00 C ATOM 1382 C SER A 96 61.652 7.156 -6.827 1.00 0.00 C ATOM 1383 O SER A 96 60.671 6.995 -6.102 1.00 0.00 O ATOM 1384 CB SER A 96 62.299 9.552 -7.177 1.00 0.00 C ATOM 1385 OG SER A 96 62.926 10.625 -6.490 1.00 0.00 O ATOM 0 H SER A 96 64.362 8.328 -7.774 1.00 0.00 H new ATOM 0 HA SER A 96 62.716 8.369 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.602 9.548 -8.224 1.00 0.00 H new ATOM 0 HB3 SER A 96 61.216 9.677 -7.159 1.00 0.00 H new ATOM 0 HG SER A 96 62.681 11.473 -6.915 1.00 0.00 H new ATOM 1391 N SER A 97 61.864 6.438 -7.925 1.00 0.00 N ATOM 1392 CA SER A 97 60.935 5.389 -8.330 1.00 0.00 C ATOM 1393 C SER A 97 61.107 4.155 -7.451 1.00 0.00 C ATOM 1394 O SER A 97 60.505 3.112 -7.703 1.00 0.00 O ATOM 1395 CB SER A 97 61.174 5.012 -9.793 1.00 0.00 C ATOM 1396 OG SER A 97 62.502 4.531 -9.944 1.00 0.00 O ATOM 0 H SER A 97 62.664 6.561 -8.546 1.00 0.00 H new ATOM 0 HA SER A 97 59.919 5.766 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.461 4.249 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.014 5.879 -10.434 1.00 0.00 H new ATOM 0 HG SER A 97 62.657 4.287 -10.880 1.00 0.00 H new ATOM 1402 N ASN A 98 61.934 4.287 -6.419 1.00 0.00 N ATOM 1403 CA ASN A 98 62.187 3.180 -5.504 1.00 0.00 C ATOM 1404 C ASN A 98 62.797 1.996 -6.246 1.00 0.00 C ATOM 1405 O ASN A 98 62.409 0.849 -6.028 1.00 0.00 O ATOM 1406 CB ASN A 98 60.884 2.740 -4.833 1.00 0.00 C ATOM 1407 CG ASN A 98 60.119 3.955 -4.316 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.612 5.150 -4.497 1.00 0.00 O flip ATOM 1409 ND2 ASN A 98 59.031 3.814 -3.759 1.00 0.00 N flip ATOM 0 H ASN A 98 62.438 5.145 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 98 62.890 3.523 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.268 2.190 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.102 2.061 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 98 58.647 2.879 -3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 98 58.513 4.632 -3.438 1.00 0.00 H new ATOM 1416 N HIS A 99 63.791 2.274 -7.084 1.00 0.00 N ATOM 1417 CA HIS A 99 64.480 1.226 -7.831 1.00 0.00 C ATOM 1418 C HIS A 99 65.924 1.100 -7.359 1.00 0.00 C ATOM 1419 O HIS A 99 66.638 2.096 -7.238 1.00 0.00 O ATOM 1420 CB HIS A 99 64.461 1.556 -9.325 1.00 0.00 C ATOM 1421 CG HIS A 99 65.184 0.479 -10.086 1.00 0.00 C ATOM 1422 ND1 HIS A 99 66.239 0.758 -10.939 1.00 0.00 N ATOM 1423 CD2 HIS A 99 65.017 -0.884 -10.128 1.00 0.00 C ATOM 1424 CE1 HIS A 99 66.670 -0.409 -11.447 1.00 0.00 C ATOM 1425 NE2 HIS A 99 65.973 -1.445 -10.974 1.00 0.00 N ATOM 0 H HIS A 99 64.138 3.216 -7.263 1.00 0.00 H new ATOM 0 HA HIS A 99 63.966 0.281 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.433 1.637 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 99 64.935 2.521 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 99 64.261 -1.436 -9.589 1.00 0.00 H new ATOM 0 HE1 HIS A 99 67.482 -0.498 -12.153 1.00 0.00 H new ATOM 0 HE2 HIS A 99 66.110 -2.433 -11.186 1.00 0.00 H new ATOM 1433 N VAL A 100 66.351 -0.134 -7.114 1.00 0.00 N ATOM 1434 CA VAL A 100 67.709 -0.387 -6.646 1.00 0.00 C ATOM 1435 C VAL A 100 68.722 -0.039 -7.732 1.00 0.00 C ATOM 1436 O VAL A 100 68.505 -0.314 -8.912 1.00 0.00 O ATOM 1437 CB VAL A 100 67.866 -1.853 -6.228 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.384 -2.782 -7.345 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.334 -2.153 -5.911 1.00 0.00 C ATOM 0 H VAL A 100 65.780 -0.971 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 100 67.897 0.246 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 100 67.261 -2.025 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.502 -3.819 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.333 -2.584 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.973 -2.605 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.436 -3.197 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.943 -1.965 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.669 -1.510 -5.097 1.00 0.00 H new ATOM 1449 N VAL A 101 69.853 0.519 -7.312 1.00 0.00 N ATOM 1450 CA VAL A 101 70.934 0.876 -8.224 1.00 0.00 C ATOM 1451 C VAL A 101 72.261 0.403 -7.642 1.00 0.00 C ATOM 1452 O VAL A 101 72.461 0.458 -6.430 1.00 0.00 O ATOM 1453 CB VAL A 101 70.963 2.395 -8.410 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.127 2.787 -9.323 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.645 2.858 -9.036 1.00 0.00 C ATOM 0 H VAL A 101 70.046 0.736 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 101 70.772 0.399 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 101 71.094 2.872 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.141 3.869 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.066 2.462 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.004 2.309 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.665 3.940 -9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.513 2.376 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.817 2.588 -8.381 1.00 0.00 H new ATOM 1465 N PHE A 102 73.142 -0.105 -8.499 1.00 0.00 N ATOM 1466 CA PHE A 102 74.447 -0.596 -8.065 1.00 0.00 C ATOM 1467 C PHE A 102 75.568 0.117 -8.815 1.00 0.00 C ATOM 1468 O PHE A 102 75.416 0.484 -9.980 1.00 0.00 O ATOM 1469 CB PHE A 102 74.545 -2.102 -8.318 1.00 0.00 C ATOM 1470 CG PHE A 102 74.409 -2.372 -9.797 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.152 -2.276 -10.407 1.00 0.00 C ATOM 1472 CD2 PHE A 102 75.531 -2.731 -10.554 1.00 0.00 C ATOM 1473 CE1 PHE A 102 73.017 -2.532 -11.777 1.00 0.00 C ATOM 1474 CE2 PHE A 102 75.401 -2.953 -11.930 1.00 0.00 C ATOM 1475 CZ PHE A 102 74.141 -2.880 -12.536 1.00 0.00 C ATOM 0 H PHE A 102 72.975 -0.188 -9.502 1.00 0.00 H new ATOM 0 HA PHE A 102 74.553 -0.394 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.500 -2.482 -7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 102 73.763 -2.626 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 102 72.287 -2.004 -9.821 1.00 0.00 H new ATOM 0 HD2 PHE A 102 76.494 -2.836 -10.077 1.00 0.00 H new ATOM 0 HE1 PHE A 102 72.047 -2.461 -12.247 1.00 0.00 H new ATOM 0 HE2 PHE A 102 76.273 -3.181 -12.525 1.00 0.00 H new ATOM 0 HZ PHE A 102 74.036 -3.092 -13.590 1.00 0.00 H new ATOM 1485 N GLY A 103 76.678 0.351 -8.121 1.00 0.00 N ATOM 1486 CA GLY A 103 77.826 1.033 -8.711 1.00 0.00 C ATOM 1487 C GLY A 103 78.898 0.036 -9.140 1.00 0.00 C ATOM 1488 O GLY A 103 78.803 -1.156 -8.847 1.00 0.00 O ATOM 0 H GLY A 103 76.807 0.078 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.502 1.617 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.246 1.735 -7.990 1.00 0.00 H new ATOM 1492 N GLY A 104 79.946 0.543 -9.781 1.00 0.00 N ATOM 1493 CA GLY A 104 81.040 -0.310 -10.231 1.00 0.00 C ATOM 1494 C GLY A 104 81.684 -1.030 -9.051 1.00 0.00 C ATOM 1495 O GLY A 104 82.101 -2.182 -9.169 1.00 0.00 O ATOM 0 H GLY A 104 80.061 1.533 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.666 -1.040 -10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.788 0.292 -10.748 1.00 0.00 H new ATOM 1499 N GLY A 105 81.727 -0.359 -7.904 1.00 0.00 N ATOM 1500 CA GLY A 105 82.307 -0.938 -6.696 1.00 0.00 C ATOM 1501 C GLY A 105 83.764 -0.516 -6.530 1.00 0.00 C ATOM 1502 O GLY A 105 84.191 0.497 -7.084 1.00 0.00 O ATOM 0 H GLY A 105 81.367 0.588 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.732 -0.622 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.243 -2.025 -6.743 1.00 0.00 H new ATOM 1506 N THR A 106 84.487 -1.232 -5.674 1.00 0.00 N ATOM 1507 CA THR A 106 85.883 -0.907 -5.398 1.00 0.00 C ATOM 1508 C THR A 106 86.621 -2.139 -4.885 1.00 0.00 C ATOM 1509 O THR A 106 86.062 -2.928 -4.125 1.00 0.00 O ATOM 1510 CB THR A 106 85.950 0.208 -4.351 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.396 1.398 -4.894 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.404 0.462 -3.949 1.00 0.00 C ATOM 0 H THR A 106 84.131 -2.038 -5.161 1.00 0.00 H new ATOM 0 HA THR A 106 86.358 -0.572 -6.320 1.00 0.00 H new ATOM 0 HB THR A 106 85.383 -0.094 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.234 1.275 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.442 1.257 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.830 -0.449 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.977 0.760 -4.827 1.00 0.00 H new ATOM 1520 N LYS A 107 87.887 -2.288 -5.267 1.00 0.00 N ATOM 1521 CA LYS A 107 88.690 -3.431 -4.838 1.00 0.00 C ATOM 1522 C LYS A 107 89.694 -3.035 -3.761 1.00 0.00 C ATOM 1523 O LYS A 107 90.613 -2.257 -4.010 1.00 0.00 O ATOM 1524 CB LYS A 107 89.427 -4.033 -6.035 1.00 0.00 C ATOM 1525 CG LYS A 107 90.276 -5.219 -5.568 1.00 0.00 C ATOM 1526 CD LYS A 107 90.783 -5.997 -6.785 1.00 0.00 C ATOM 1527 CE LYS A 107 91.446 -7.304 -6.343 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.821 -7.029 -5.838 1.00 0.00 N ATOM 0 H LYS A 107 88.379 -1.632 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 107 88.013 -4.173 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.711 -4.359 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.061 -3.279 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.118 -4.865 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.685 -5.872 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 107 89.954 -6.212 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.497 -5.390 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 107 90.851 -7.778 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.489 -8.001 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.228 -7.902 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 93.417 -6.690 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.779 -6.303 -5.095 1.00 0.00 H new ATOM 1542 N LEU A 108 89.502 -3.563 -2.555 1.00 0.00 N ATOM 1543 CA LEU A 108 90.426 -3.322 -1.452 1.00 0.00 C ATOM 1544 C LEU A 108 91.467 -4.432 -1.366 1.00 0.00 C ATOM 1545 O LEU A 108 91.142 -5.578 -1.055 1.00 0.00 O ATOM 1546 CB LEU A 108 89.624 -3.243 -0.150 1.00 0.00 C ATOM 1547 CG LEU A 108 90.554 -3.209 1.066 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.640 -2.145 0.882 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.727 -2.897 2.315 1.00 0.00 C ATOM 0 H LEU A 108 88.712 -4.162 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 108 90.954 -2.384 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.997 -2.351 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.956 -4.101 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 108 91.039 -4.179 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 108 92.291 -2.135 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 108 92.228 -2.375 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 108 91.174 -1.166 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.381 -2.871 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 108 89.240 -1.929 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.970 -3.669 2.452 1.00 0.00 H new ATOM 1561 N THR A 109 92.735 -4.060 -1.521 1.00 0.00 N ATOM 1562 CA THR A 109 93.834 -5.016 -1.415 1.00 0.00 C ATOM 1563 C THR A 109 94.649 -4.756 -0.152 1.00 0.00 C ATOM 1564 O THR A 109 95.259 -3.699 0.002 1.00 0.00 O ATOM 1565 CB THR A 109 94.737 -4.888 -2.642 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.006 -5.245 -3.806 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.941 -5.818 -2.488 1.00 0.00 C ATOM 0 H THR A 109 93.027 -3.103 -1.720 1.00 0.00 H new ATOM 0 HA THR A 109 93.421 -6.023 -1.363 1.00 0.00 H new ATOM 0 HB THR A 109 95.084 -3.859 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.541 -5.857 -4.353 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.585 -5.727 -3.363 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.501 -5.543 -1.594 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.596 -6.848 -2.397 1.00 0.00 H new ATOM 1575 N VAL A 110 94.697 -5.746 0.733 1.00 0.00 N ATOM 1576 CA VAL A 110 95.443 -5.630 1.981 1.00 0.00 C ATOM 1577 C VAL A 110 96.849 -6.196 1.816 1.00 0.00 C ATOM 1578 O VAL A 110 97.030 -7.302 1.309 1.00 0.00 O ATOM 1579 CB VAL A 110 94.715 -6.397 3.087 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.444 -6.191 4.416 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.282 -5.875 3.199 1.00 0.00 C ATOM 0 H VAL A 110 94.226 -6.642 0.608 1.00 0.00 H new ATOM 0 HA VAL A 110 95.515 -4.576 2.248 1.00 0.00 H new ATOM 0 HB VAL A 110 94.698 -7.460 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.925 -6.737 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.466 -6.560 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.460 -5.129 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.758 -6.418 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.300 -4.812 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.766 -6.023 2.250 1.00 0.00 H new ATOM 1591 N LEU A 111 97.846 -5.409 2.209 1.00 0.00 N ATOM 1592 CA LEU A 111 99.244 -5.783 2.019 1.00 0.00 C ATOM 1593 C LEU A 111 99.859 -6.191 3.353 1.00 0.00 C ATOM 1594 O LEU A 111 99.248 -6.992 4.041 1.00 0.00 O ATOM 1595 CB LEU A 111 100.024 -4.597 1.443 1.00 0.00 C ATOM 1596 CG LEU A 111 99.345 -4.065 0.172 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.645 -2.574 0.005 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.860 -4.813 -1.060 1.00 0.00 C ATOM 1599 OXT LEU A 111 100.859 -5.601 3.726 1.00 0.00 O ATOM 0 H LEU A 111 97.711 -4.505 2.662 1.00 0.00 H new ATOM 0 HA LEU A 111 99.294 -6.623 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.088 -3.802 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.045 -4.903 1.215 1.00 0.00 H new ATOM 0 HG LEU A 111 98.270 -4.219 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.160 -2.204 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.267 -2.028 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.722 -2.426 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.370 -4.425 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.937 -4.672 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.640 -5.876 -0.959 1.00 0.00 H new TER 1611 LEU A 111