USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=45 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 35 GLN :FLIP amide:sc= -5.66! C(o=-6.3!,f=-5.3!) USER MOD Set 1.2: A 50 TYR OH : rot -53:sc= 0.0536 USER MOD Set 1.3: A 94 TYR OH : rot -172:sc= 0.334 USER MOD Set 2.1: A 71 SER OG : rot -37:sc= 0.0508 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 TYR OH : rot -113:sc= 0.101 USER MOD Set 3.2: A 47 THR OG1 : rot -45:sc= 0.0488 USER MOD Set 4.1: A 28 SER OG : rot -12:sc= 0.283! USER MOD Set 4.2: A 31 SER OG : rot -72:sc= 1.08 USER MOD Set 4.3: A 32 ASN :FLIP amide:sc= -1.86 F(o=-1.5,f=-0.5) USER MOD Set 5.1: A 6 GLN : amide:sc= -7.82! C(o=-7.9!,f=-10!) USER MOD Set 5.2: A 106 THR OG1 : rot 145:sc= -0.0536 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 1 ASN N :NH3+ 130:sc= 0.0837 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -54:sc= 0.0534! USER MOD Single : A 11 SER OG : rot 180:sc= -0.565 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 24:sc= 0.03 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 158:sc= 0.0692! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -14! C(o=-14!,f=-19!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 30:sc= 0.13 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.7 F(o=-2,f=-0.7) USER MOD Single : A 54 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0873 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.514 K(o=0.51,f=-3.6!) USER MOD Single : A 75 SER OG : rot 101:sc= 0.144 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+ 166:sc= 0 (180deg=-0.152) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -5.66! C(o=-7.3!,f=-5.7!) USER MOD Single : A 93 SER OG : rot -176:sc= -2.16! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.606 USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) 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 1 N ASN A 1 68.681 9.617 -15.769 1.00 0.00 N ATOM 2 CA ASN A 1 69.778 8.631 -15.558 1.00 0.00 C ATOM 3 C ASN A 1 70.109 8.575 -14.070 1.00 0.00 C ATOM 4 O ASN A 1 69.903 9.543 -13.338 1.00 0.00 O ATOM 5 CB ASN A 1 71.002 9.056 -16.377 1.00 0.00 C ATOM 6 CG ASN A 1 70.972 8.425 -17.765 1.00 0.00 C ATOM 7 OD1 ASN A 1 71.035 7.202 -17.888 1.00 0.00 O ATOM 8 ND2 ASN A 1 70.875 9.185 -18.820 1.00 0.00 N ATOM 0 H1 ASN A 1 68.947 10.275 -16.530 1.00 0.00 H new ATOM 0 H2 ASN A 1 67.809 9.115 -16.034 1.00 0.00 H new ATOM 0 H3 ASN A 1 68.520 10.150 -14.891 1.00 0.00 H new ATOM 0 HA ASN A 1 69.471 7.638 -15.888 1.00 0.00 H new ATOM 0 HB2 ASN A 1 71.025 10.142 -16.467 1.00 0.00 H new ATOM 0 HB3 ASN A 1 71.913 8.759 -15.858 1.00 0.00 H new ATOM 0 HD21 ASN A 1 70.851 8.766 -19.750 1.00 0.00 H new ATOM 0 HD22 ASN A 1 70.823 10.198 -18.716 1.00 0.00 H new ATOM 17 N PHE A 2 70.541 7.402 -13.620 1.00 0.00 N ATOM 18 CA PHE A 2 70.944 7.216 -12.230 1.00 0.00 C ATOM 19 C PHE A 2 72.009 6.128 -12.148 1.00 0.00 C ATOM 20 O PHE A 2 71.717 4.947 -12.337 1.00 0.00 O ATOM 21 CB PHE A 2 69.714 6.838 -11.391 1.00 0.00 C ATOM 22 CG PHE A 2 69.255 8.005 -10.549 1.00 0.00 C ATOM 23 CD1 PHE A 2 69.971 8.348 -9.396 1.00 0.00 C ATOM 24 CD2 PHE A 2 68.125 8.744 -10.919 1.00 0.00 C ATOM 25 CE1 PHE A 2 69.554 9.427 -8.608 1.00 0.00 C ATOM 26 CE2 PHE A 2 67.708 9.824 -10.131 1.00 0.00 C ATOM 27 CZ PHE A 2 68.425 10.167 -8.978 1.00 0.00 C ATOM 0 H PHE A 2 70.621 6.565 -14.198 1.00 0.00 H new ATOM 0 HA PHE A 2 71.365 8.142 -11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 2 68.905 6.518 -12.048 1.00 0.00 H new ATOM 0 HB3 PHE A 2 69.954 5.992 -10.747 1.00 0.00 H new ATOM 0 HD1 PHE A 2 70.845 7.780 -9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 2 67.576 8.482 -11.811 1.00 0.00 H new ATOM 0 HE1 PHE A 2 70.103 9.688 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 2 66.834 10.392 -10.412 1.00 0.00 H new ATOM 0 HZ PHE A 2 68.106 11.003 -8.374 1.00 0.00 H new ATOM 37 N MET A 3 73.197 6.516 -11.696 1.00 0.00 N ATOM 38 CA MET A 3 74.291 5.565 -11.545 1.00 0.00 C ATOM 39 C MET A 3 75.282 6.078 -10.503 1.00 0.00 C ATOM 40 O MET A 3 75.234 7.247 -10.122 1.00 0.00 O ATOM 41 CB MET A 3 75.005 5.365 -12.884 1.00 0.00 C ATOM 42 CG MET A 3 74.090 4.633 -13.869 1.00 0.00 C ATOM 43 SD MET A 3 75.058 4.072 -15.293 1.00 0.00 S ATOM 44 CE MET A 3 75.565 2.460 -14.642 1.00 0.00 C ATOM 0 H MET A 3 73.425 7.474 -11.430 1.00 0.00 H new ATOM 0 HA MET A 3 73.884 4.609 -11.215 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.296 6.331 -13.297 1.00 0.00 H new ATOM 0 HB3 MET A 3 75.921 4.793 -12.734 1.00 0.00 H new ATOM 0 HG2 MET A 3 73.618 3.781 -13.379 1.00 0.00 H new ATOM 0 HG3 MET A 3 73.289 5.295 -14.199 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.180 1.946 -15.381 1.00 0.00 H new ATOM 0 HE2 MET A 3 76.140 2.602 -13.727 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.681 1.860 -14.426 1.00 0.00 H new ATOM 54 N LEU A 4 76.177 5.210 -10.037 1.00 0.00 N ATOM 55 CA LEU A 4 77.180 5.585 -9.048 1.00 0.00 C ATOM 56 C LEU A 4 78.576 5.439 -9.640 1.00 0.00 C ATOM 57 O LEU A 4 78.820 4.584 -10.492 1.00 0.00 O ATOM 58 CB LEU A 4 77.044 4.671 -7.828 1.00 0.00 C ATOM 59 CG LEU A 4 75.677 4.886 -7.165 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.301 3.653 -6.335 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.690 6.147 -6.291 1.00 0.00 C ATOM 0 H LEU A 4 76.226 4.235 -10.332 1.00 0.00 H new ATOM 0 HA LEU A 4 77.028 6.623 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.152 3.629 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.841 4.881 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 4 74.927 5.026 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.330 3.812 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.252 2.779 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.053 3.491 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.711 6.281 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.446 6.043 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.922 7.015 -6.908 1.00 0.00 H new ATOM 73 N THR A 5 79.488 6.285 -9.173 1.00 0.00 N ATOM 74 CA THR A 5 80.878 6.243 -9.617 1.00 0.00 C ATOM 75 C THR A 5 81.800 6.077 -8.413 1.00 0.00 C ATOM 76 O THR A 5 81.851 6.935 -7.532 1.00 0.00 O ATOM 77 CB THR A 5 81.216 7.527 -10.381 1.00 0.00 C ATOM 78 OG1 THR A 5 80.638 7.467 -11.677 1.00 0.00 O ATOM 79 CG2 THR A 5 82.732 7.698 -10.507 1.00 0.00 C ATOM 0 H THR A 5 79.289 7.011 -8.485 1.00 0.00 H new ATOM 0 HA THR A 5 81.021 5.393 -10.284 1.00 0.00 H new ATOM 0 HB THR A 5 80.814 8.378 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 5 80.851 8.288 -12.168 1.00 0.00 H new ATOM 0 HG21 THR A 5 82.951 8.616 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.176 7.752 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.151 6.848 -11.045 1.00 0.00 H new ATOM 87 N GLN A 6 82.637 5.045 -8.472 1.00 0.00 N ATOM 88 CA GLN A 6 83.575 4.748 -7.394 1.00 0.00 C ATOM 89 C GLN A 6 84.972 4.564 -7.981 1.00 0.00 C ATOM 90 O GLN A 6 85.144 4.633 -9.198 1.00 0.00 O ATOM 91 CB GLN A 6 83.123 3.495 -6.629 1.00 0.00 C ATOM 92 CG GLN A 6 81.655 3.179 -6.929 1.00 0.00 C ATOM 93 CD GLN A 6 81.232 1.924 -6.175 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.065 1.540 -6.235 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.042 1.403 -5.295 1.00 0.00 N ATOM 0 H GLN A 6 82.685 4.398 -9.259 1.00 0.00 H new ATOM 0 HA GLN A 6 83.600 5.577 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.748 2.647 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.256 3.649 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.026 4.019 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.516 3.035 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.010 1.719 -5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.707 0.679 -4.659 1.00 0.00 H new ATOM 104 N PRO A 7 85.942 4.220 -7.176 1.00 0.00 N ATOM 105 CA PRO A 7 87.325 3.953 -7.662 1.00 0.00 C ATOM 106 C PRO A 7 87.427 2.608 -8.378 1.00 0.00 C ATOM 107 O PRO A 7 86.727 1.656 -8.033 1.00 0.00 O ATOM 108 CB PRO A 7 88.198 3.995 -6.399 1.00 0.00 C ATOM 109 CG PRO A 7 87.295 4.314 -5.247 1.00 0.00 C ATOM 110 CD PRO A 7 85.854 4.092 -5.712 1.00 0.00 C ATOM 0 HA PRO A 7 87.644 4.687 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.696 3.038 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 7 88.979 4.749 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.524 3.676 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.438 5.345 -4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.484 3.110 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.176 4.831 -5.284 1.00 0.00 H new ATOM 118 N HIS A 8 88.311 2.537 -9.368 1.00 0.00 N ATOM 119 CA HIS A 8 88.525 1.302 -10.113 1.00 0.00 C ATOM 120 C HIS A 8 89.229 0.261 -9.248 1.00 0.00 C ATOM 121 O HIS A 8 88.914 -0.927 -9.310 1.00 0.00 O ATOM 122 CB HIS A 8 89.360 1.589 -11.361 1.00 0.00 C ATOM 123 CG HIS A 8 88.567 2.451 -12.304 1.00 0.00 C ATOM 124 ND1 HIS A 8 87.675 1.917 -13.220 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.493 3.815 -12.461 1.00 0.00 C ATOM 126 CE1 HIS A 8 87.119 2.940 -13.890 1.00 0.00 C ATOM 127 NE2 HIS A 8 87.590 4.120 -13.478 1.00 0.00 N ATOM 0 H HIS A 8 88.890 3.319 -9.673 1.00 0.00 H new ATOM 0 HA HIS A 8 87.554 0.905 -10.408 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.287 2.091 -11.084 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.637 0.655 -11.850 1.00 0.00 H new ATOM 0 HD2 HIS A 8 89.049 4.539 -11.885 1.00 0.00 H new ATOM 0 HE1 HIS A 8 86.380 2.822 -14.669 1.00 0.00 H new ATOM 0 HE2 HIS A 8 87.342 5.044 -13.831 1.00 0.00 H new ATOM 135 N SER A 9 90.208 0.714 -8.471 1.00 0.00 N ATOM 136 CA SER A 9 90.993 -0.190 -7.639 1.00 0.00 C ATOM 137 C SER A 9 91.764 0.602 -6.588 1.00 0.00 C ATOM 138 O SER A 9 92.194 1.727 -6.842 1.00 0.00 O ATOM 139 CB SER A 9 91.968 -0.990 -8.508 1.00 0.00 C ATOM 140 OG SER A 9 91.346 -1.302 -9.745 1.00 0.00 O ATOM 0 H SER A 9 90.475 1.696 -8.400 1.00 0.00 H new ATOM 0 HA SER A 9 90.317 -0.881 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.877 -0.414 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.263 -1.905 -7.995 1.00 0.00 H new ATOM 0 HG SER A 9 90.491 -1.750 -9.577 1.00 0.00 H new ATOM 146 N VAL A 10 91.930 0.017 -5.407 1.00 0.00 N ATOM 147 CA VAL A 10 92.646 0.686 -4.326 1.00 0.00 C ATOM 148 C VAL A 10 93.239 -0.337 -3.364 1.00 0.00 C ATOM 149 O VAL A 10 92.741 -1.456 -3.244 1.00 0.00 O ATOM 150 CB VAL A 10 91.710 1.633 -3.570 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.447 0.892 -3.117 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.437 2.213 -2.352 1.00 0.00 C ATOM 0 H VAL A 10 91.581 -0.913 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 10 93.458 1.268 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 10 91.417 2.443 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.794 1.581 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.924 0.499 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.725 0.069 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.768 2.887 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.742 1.402 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.318 2.763 -2.682 1.00 0.00 H new ATOM 162 N SER A 11 94.305 0.062 -2.679 1.00 0.00 N ATOM 163 CA SER A 11 94.993 -0.814 -1.737 1.00 0.00 C ATOM 164 C SER A 11 95.277 -0.076 -0.434 1.00 0.00 C ATOM 165 O SER A 11 95.210 1.152 -0.377 1.00 0.00 O ATOM 166 CB SER A 11 96.322 -1.281 -2.332 1.00 0.00 C ATOM 167 OG SER A 11 96.085 -1.926 -3.575 1.00 0.00 O ATOM 0 H SER A 11 94.714 0.993 -2.759 1.00 0.00 H new ATOM 0 HA SER A 11 94.350 -1.672 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.988 -0.430 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.820 -1.965 -1.645 1.00 0.00 H new ATOM 0 HG SER A 11 96.937 -2.224 -3.957 1.00 0.00 H new ATOM 173 N GLU A 12 95.525 -0.835 0.627 1.00 0.00 N ATOM 174 CA GLU A 12 95.802 -0.234 1.927 1.00 0.00 C ATOM 175 C GLU A 12 96.603 -1.188 2.805 1.00 0.00 C ATOM 176 O GLU A 12 96.426 -2.404 2.737 1.00 0.00 O ATOM 177 CB GLU A 12 94.486 0.128 2.620 1.00 0.00 C ATOM 178 CG GLU A 12 94.769 1.053 3.807 1.00 0.00 C ATOM 179 CD GLU A 12 95.177 2.432 3.299 1.00 0.00 C ATOM 180 OE1 GLU A 12 94.810 2.759 2.182 1.00 0.00 O ATOM 181 OE2 GLU A 12 95.850 3.138 4.033 1.00 0.00 O ATOM 0 H GLU A 12 95.540 -1.855 0.615 1.00 0.00 H new ATOM 0 HA GLU A 12 96.392 0.669 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 12 93.815 0.619 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 12 93.983 -0.776 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 12 93.883 1.134 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.562 0.634 4.426 1.00 0.00 H new ATOM 188 N SER A 13 97.526 -0.637 3.588 1.00 0.00 N ATOM 189 CA SER A 13 98.368 -1.461 4.449 1.00 0.00 C ATOM 190 C SER A 13 97.677 -1.724 5.785 1.00 0.00 C ATOM 191 O SER A 13 96.991 -0.841 6.300 1.00 0.00 O ATOM 192 CB SER A 13 99.704 -0.755 4.688 1.00 0.00 C ATOM 193 OG SER A 13 100.513 -0.871 3.526 1.00 0.00 O ATOM 0 H SER A 13 97.709 0.365 3.644 1.00 0.00 H new ATOM 0 HA SER A 13 98.543 -2.417 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.536 0.296 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.213 -1.196 5.545 1.00 0.00 H new ATOM 0 HG SER A 13 101.369 -0.418 3.677 1.00 0.00 H new ATOM 199 N PRO A 14 98.008 -2.797 6.456 1.00 0.00 N ATOM 200 CA PRO A 14 97.352 -3.148 7.746 1.00 0.00 C ATOM 201 C PRO A 14 97.531 -2.043 8.783 1.00 0.00 C ATOM 202 O PRO A 14 98.460 -1.240 8.690 1.00 0.00 O ATOM 203 CB PRO A 14 98.014 -4.459 8.195 1.00 0.00 C ATOM 204 CG PRO A 14 99.022 -4.828 7.152 1.00 0.00 C ATOM 205 CD PRO A 14 98.787 -3.932 5.933 1.00 0.00 C ATOM 0 HA PRO A 14 96.274 -3.264 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.493 -4.335 9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 14 97.269 -5.247 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 14 100.034 -4.694 7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.921 -5.878 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.729 -3.600 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.242 -4.461 5.151 1.00 0.00 H new ATOM 213 N GLY A 15 96.627 -1.999 9.757 1.00 0.00 N ATOM 214 CA GLY A 15 96.715 -1.019 10.835 1.00 0.00 C ATOM 215 C GLY A 15 96.012 0.276 10.442 1.00 0.00 C ATOM 216 O GLY A 15 95.443 0.967 11.287 1.00 0.00 O ATOM 0 H GLY A 15 95.827 -2.629 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.263 -1.424 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.761 -0.816 11.065 1.00 0.00 H new ATOM 220 N LYS A 16 96.102 0.625 9.163 1.00 0.00 N ATOM 221 CA LYS A 16 95.469 1.839 8.661 1.00 0.00 C ATOM 222 C LYS A 16 93.970 1.629 8.474 1.00 0.00 C ATOM 223 O LYS A 16 93.440 0.557 8.766 1.00 0.00 O ATOM 224 CB LYS A 16 96.091 2.241 7.323 1.00 0.00 C ATOM 225 CG LYS A 16 97.618 2.206 7.418 1.00 0.00 C ATOM 226 CD LYS A 16 98.107 3.251 8.426 1.00 0.00 C ATOM 227 CE LYS A 16 99.615 3.465 8.273 1.00 0.00 C ATOM 228 NZ LYS A 16 100.336 2.284 8.825 1.00 0.00 N ATOM 0 H LYS A 16 96.605 0.087 8.458 1.00 0.00 H new ATOM 0 HA LYS A 16 95.628 2.631 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.753 1.564 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.759 3.242 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.948 1.213 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.056 2.401 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.581 4.193 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.879 2.923 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.870 3.603 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 99.921 4.370 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.361 2.425 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.100 2.172 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.051 1.429 8.306 1.00 0.00 H new ATOM 242 N THR A 17 93.279 2.693 8.075 1.00 0.00 N ATOM 243 CA THR A 17 91.839 2.632 7.848 1.00 0.00 C ATOM 244 C THR A 17 91.534 2.462 6.365 1.00 0.00 C ATOM 245 O THR A 17 92.377 2.743 5.514 1.00 0.00 O ATOM 246 CB THR A 17 91.175 3.916 8.347 1.00 0.00 C ATOM 247 OG1 THR A 17 91.761 5.037 7.703 1.00 0.00 O ATOM 248 CG2 THR A 17 91.371 4.047 9.859 1.00 0.00 C ATOM 0 H THR A 17 93.694 3.609 7.902 1.00 0.00 H new ATOM 0 HA THR A 17 91.447 1.775 8.395 1.00 0.00 H new ATOM 0 HB THR A 17 90.110 3.877 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.333 5.859 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.896 4.963 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.920 3.190 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.437 4.081 10.086 1.00 0.00 H new ATOM 256 N VAL A 18 90.289 2.112 6.058 1.00 0.00 N ATOM 257 CA VAL A 18 89.841 1.988 4.677 1.00 0.00 C ATOM 258 C VAL A 18 88.709 2.976 4.421 1.00 0.00 C ATOM 259 O VAL A 18 87.762 3.082 5.199 1.00 0.00 O ATOM 260 CB VAL A 18 89.374 0.552 4.422 1.00 0.00 C ATOM 261 CG1 VAL A 18 88.594 0.461 3.110 1.00 0.00 C ATOM 262 CG2 VAL A 18 90.581 -0.385 4.374 1.00 0.00 C ATOM 0 H VAL A 18 89.570 1.908 6.752 1.00 0.00 H new ATOM 0 HA VAL A 18 90.662 2.215 3.997 1.00 0.00 H new ATOM 0 HB VAL A 18 88.715 0.253 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.272 -0.568 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 18 87.721 1.111 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.233 0.775 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.243 -1.405 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.250 -0.076 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.112 -0.343 5.325 1.00 0.00 H new ATOM 272 N THR A 19 88.839 3.733 3.337 1.00 0.00 N ATOM 273 CA THR A 19 87.837 4.719 2.957 1.00 0.00 C ATOM 274 C THR A 19 87.264 4.346 1.595 1.00 0.00 C ATOM 275 O THR A 19 87.990 4.281 0.603 1.00 0.00 O ATOM 276 CB THR A 19 88.495 6.099 2.900 1.00 0.00 C ATOM 277 OG1 THR A 19 88.905 6.483 4.205 1.00 0.00 O ATOM 278 CG2 THR A 19 87.496 7.117 2.352 1.00 0.00 C ATOM 0 H THR A 19 89.636 3.681 2.702 1.00 0.00 H new ATOM 0 HA THR A 19 87.028 4.741 3.687 1.00 0.00 H new ATOM 0 HB THR A 19 89.366 6.061 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 19 89.328 7.366 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.964 8.101 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.187 6.820 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.623 7.157 3.004 1.00 0.00 H new ATOM 286 N ILE A 20 85.945 4.196 1.539 1.00 0.00 N ATOM 287 CA ILE A 20 85.261 3.930 0.276 1.00 0.00 C ATOM 288 C ILE A 20 84.363 5.107 -0.088 1.00 0.00 C ATOM 289 O ILE A 20 83.349 5.348 0.567 1.00 0.00 O ATOM 290 CB ILE A 20 84.437 2.647 0.404 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.366 1.496 0.796 1.00 0.00 C ATOM 292 CG2 ILE A 20 83.748 2.322 -0.924 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.556 0.211 0.982 1.00 0.00 C ATOM 0 H ILE A 20 85.329 4.254 2.350 1.00 0.00 H new ATOM 0 HA ILE A 20 85.998 3.801 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 20 83.672 2.786 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.123 1.350 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.893 1.741 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.166 1.407 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.086 3.143 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 20 84.501 2.185 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.225 -0.603 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 20 83.816 0.358 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.050 -0.038 0.049 1.00 0.00 H new ATOM 305 N SER A 21 84.685 5.782 -1.189 1.00 0.00 N ATOM 306 CA SER A 21 83.889 6.916 -1.648 1.00 0.00 C ATOM 307 C SER A 21 83.081 6.529 -2.883 1.00 0.00 C ATOM 308 O SER A 21 83.643 6.059 -3.873 1.00 0.00 O ATOM 309 CB SER A 21 84.797 8.104 -1.972 1.00 0.00 C ATOM 310 OG SER A 21 84.004 9.263 -2.180 1.00 0.00 O ATOM 0 H SER A 21 85.489 5.564 -1.778 1.00 0.00 H new ATOM 0 HA SER A 21 83.202 7.202 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.499 8.272 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.389 7.891 -2.862 1.00 0.00 H new ATOM 0 HG SER A 21 83.144 9.158 -1.721 1.00 0.00 H new ATOM 316 N CYS A 22 81.764 6.720 -2.824 1.00 0.00 N ATOM 317 CA CYS A 22 80.883 6.400 -3.947 1.00 0.00 C ATOM 318 C CYS A 22 80.154 7.682 -4.367 1.00 0.00 C ATOM 319 O CYS A 22 79.446 8.296 -3.569 1.00 0.00 O ATOM 320 CB CYS A 22 79.926 5.268 -3.521 1.00 0.00 C ATOM 321 SG CYS A 22 80.621 3.643 -3.960 1.00 0.00 S ATOM 0 H CYS A 22 81.282 7.096 -2.008 1.00 0.00 H new ATOM 0 HA CYS A 22 81.438 6.039 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.752 5.317 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.959 5.399 -4.007 1.00 0.00 H new ATOM 326 N THR A 23 80.400 8.144 -5.595 1.00 0.00 N ATOM 327 CA THR A 23 79.798 9.374 -6.111 1.00 0.00 C ATOM 328 C THR A 23 78.529 9.051 -6.893 1.00 0.00 C ATOM 329 O THR A 23 78.519 8.148 -7.728 1.00 0.00 O ATOM 330 CB THR A 23 80.777 10.130 -7.018 1.00 0.00 C ATOM 331 OG1 THR A 23 82.000 10.342 -6.330 1.00 0.00 O ATOM 332 CG2 THR A 23 80.203 11.489 -7.433 1.00 0.00 C ATOM 0 H THR A 23 81.020 7.677 -6.257 1.00 0.00 H new ATOM 0 HA THR A 23 79.551 10.008 -5.259 1.00 0.00 H new ATOM 0 HB THR A 23 80.944 9.528 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.624 10.824 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.917 12.005 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.269 11.339 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 23 80.014 12.091 -6.544 1.00 0.00 H new ATOM 340 N GLY A 24 77.494 9.864 -6.707 1.00 0.00 N ATOM 341 CA GLY A 24 76.230 9.659 -7.409 1.00 0.00 C ATOM 342 C GLY A 24 76.097 10.594 -8.604 1.00 0.00 C ATOM 343 O GLY A 24 76.268 11.807 -8.479 1.00 0.00 O ATOM 0 H GLY A 24 77.504 10.668 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.163 8.625 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.400 9.825 -6.722 1.00 0.00 H new ATOM 347 N SER A 25 75.802 10.018 -9.766 1.00 0.00 N ATOM 348 CA SER A 25 75.609 10.802 -10.980 1.00 0.00 C ATOM 349 C SER A 25 74.121 10.985 -11.267 1.00 0.00 C ATOM 350 O SER A 25 73.563 10.287 -12.114 1.00 0.00 O ATOM 351 CB SER A 25 76.290 10.091 -12.153 1.00 0.00 C ATOM 352 OG SER A 25 76.623 11.038 -13.157 1.00 0.00 O ATOM 0 H SER A 25 75.692 9.012 -9.892 1.00 0.00 H new ATOM 0 HA SER A 25 76.054 11.788 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 25 77.189 9.580 -11.809 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.627 9.329 -12.563 1.00 0.00 H new ATOM 0 HG SER A 25 77.060 10.581 -13.906 1.00 0.00 H new ATOM 358 N SER A 26 73.545 12.050 -10.718 1.00 0.00 N ATOM 359 CA SER A 26 72.124 12.324 -10.899 1.00 0.00 C ATOM 360 C SER A 26 71.669 13.401 -9.919 1.00 0.00 C ATOM 361 O SER A 26 71.562 14.575 -10.272 1.00 0.00 O ATOM 362 CB SER A 26 71.302 11.052 -10.675 1.00 0.00 C ATOM 363 OG SER A 26 71.832 10.341 -9.566 1.00 0.00 O ATOM 0 H SER A 26 74.039 12.735 -10.146 1.00 0.00 H new ATOM 0 HA SER A 26 71.968 12.674 -11.920 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.258 11.307 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.327 10.427 -11.568 1.00 0.00 H new ATOM 0 HG SER A 26 71.143 9.749 -9.198 1.00 0.00 H new ATOM 369 N GLY A 27 71.443 12.992 -8.674 1.00 0.00 N ATOM 370 CA GLY A 27 70.945 13.895 -7.641 1.00 0.00 C ATOM 371 C GLY A 27 71.751 13.734 -6.356 1.00 0.00 C ATOM 372 O GLY A 27 72.668 12.915 -6.289 1.00 0.00 O ATOM 0 H GLY A 27 71.598 12.036 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 27 71.008 14.926 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.893 13.688 -7.445 1.00 0.00 H new ATOM 376 N SER A 28 71.307 14.408 -5.300 1.00 0.00 N ATOM 377 CA SER A 28 71.940 14.252 -3.996 1.00 0.00 C ATOM 378 C SER A 28 71.845 12.802 -3.539 1.00 0.00 C ATOM 379 O SER A 28 70.765 12.212 -3.533 1.00 0.00 O ATOM 380 CB SER A 28 71.259 15.158 -2.967 1.00 0.00 C ATOM 381 OG SER A 28 70.107 14.505 -2.452 1.00 0.00 O ATOM 0 H SER A 28 70.522 15.059 -5.320 1.00 0.00 H new ATOM 0 HA SER A 28 72.989 14.534 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.951 15.391 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.978 16.104 -3.429 1.00 0.00 H new ATOM 0 HG SER A 28 69.905 13.717 -2.999 1.00 0.00 H new ATOM 387 N ILE A 29 72.963 12.270 -3.056 1.00 0.00 N ATOM 388 CA ILE A 29 72.999 10.884 -2.605 1.00 0.00 C ATOM 389 C ILE A 29 72.319 10.767 -1.245 1.00 0.00 C ATOM 390 O ILE A 29 72.288 9.689 -0.650 1.00 0.00 O ATOM 391 CB ILE A 29 74.443 10.370 -2.520 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.384 11.456 -1.987 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.943 9.944 -3.903 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.954 11.954 -0.607 1.00 0.00 C ATOM 0 H ILE A 29 73.847 12.771 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 29 72.464 10.271 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 29 74.443 9.518 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.399 11.062 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.405 12.293 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.968 9.582 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.307 9.149 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.911 10.797 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.647 12.723 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.949 12.372 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.958 11.122 0.098 1.00 0.00 H new ATOM 406 N ALA A 30 71.915 11.906 -0.691 1.00 0.00 N ATOM 407 CA ALA A 30 71.306 11.929 0.634 1.00 0.00 C ATOM 408 C ALA A 30 69.786 11.869 0.523 1.00 0.00 C ATOM 409 O ALA A 30 69.095 11.612 1.509 1.00 0.00 O ATOM 410 CB ALA A 30 71.699 13.215 1.365 1.00 0.00 C ATOM 0 H ALA A 30 71.998 12.820 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 30 71.662 11.062 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 30 71.241 13.226 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.783 13.259 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.353 14.078 0.795 1.00 0.00 H new ATOM 416 N SER A 31 69.279 12.038 -0.694 1.00 0.00 N ATOM 417 CA SER A 31 67.844 11.936 -0.925 1.00 0.00 C ATOM 418 C SER A 31 67.399 10.478 -0.947 1.00 0.00 C ATOM 419 O SER A 31 66.204 10.188 -1.001 1.00 0.00 O ATOM 420 CB SER A 31 67.458 12.604 -2.245 1.00 0.00 C ATOM 421 OG SER A 31 67.988 11.859 -3.332 1.00 0.00 O ATOM 0 H SER A 31 69.833 12.244 -1.525 1.00 0.00 H new ATOM 0 HA SER A 31 67.342 12.449 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.373 12.666 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.838 13.625 -2.272 1.00 0.00 H new ATOM 0 HG SER A 31 68.959 11.986 -3.373 1.00 0.00 H new ATOM 427 N ASN A 32 68.365 9.565 -0.946 1.00 0.00 N ATOM 428 CA ASN A 32 68.064 8.138 -0.956 1.00 0.00 C ATOM 429 C ASN A 32 69.015 7.395 -0.023 1.00 0.00 C ATOM 430 O ASN A 32 70.147 7.826 0.195 1.00 0.00 O ATOM 431 CB ASN A 32 68.189 7.590 -2.382 1.00 0.00 C ATOM 432 CG ASN A 32 67.737 8.647 -3.384 1.00 0.00 C ATOM 433 OD1 ASN A 32 66.517 9.106 -3.330 1.00 0.00 O flip ATOM 434 ND2 ASN A 32 68.508 9.049 -4.256 1.00 0.00 N flip ATOM 0 H ASN A 32 69.360 9.787 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 32 67.043 7.988 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 32 69.222 7.304 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.583 6.691 -2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 32 69.462 8.690 -4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 32 68.193 9.741 -4.936 1.00 0.00 H new ATOM 441 N TYR A 33 68.607 6.201 0.394 1.00 0.00 N ATOM 442 CA TYR A 33 69.405 5.420 1.331 1.00 0.00 C ATOM 443 C TYR A 33 70.498 4.688 0.559 1.00 0.00 C ATOM 444 O TYR A 33 70.281 4.271 -0.578 1.00 0.00 O ATOM 445 CB TYR A 33 68.516 4.419 2.081 1.00 0.00 C ATOM 446 CG TYR A 33 67.080 4.889 2.078 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.746 6.097 2.702 1.00 0.00 C ATOM 448 CD2 TYR A 33 66.075 4.092 1.514 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.415 6.532 2.719 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.753 4.551 1.490 1.00 0.00 C ATOM 451 CZ TYR A 33 64.418 5.758 2.114 1.00 0.00 C ATOM 452 OH TYR A 33 63.102 6.173 2.150 1.00 0.00 O ATOM 0 H TYR A 33 67.737 5.757 0.101 1.00 0.00 H new ATOM 0 HA TYR A 33 69.861 6.084 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.586 3.438 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.867 4.308 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.515 6.693 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 33 66.320 3.126 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.158 7.465 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.990 3.973 0.989 1.00 0.00 H new ATOM 0 HH TYR A 33 62.540 5.520 1.682 1.00 0.00 H new ATOM 462 N VAL A 34 71.655 4.507 1.189 1.00 0.00 N ATOM 463 CA VAL A 34 72.777 3.836 0.544 1.00 0.00 C ATOM 464 C VAL A 34 73.184 2.612 1.355 1.00 0.00 C ATOM 465 O VAL A 34 73.345 2.685 2.573 1.00 0.00 O ATOM 466 CB VAL A 34 73.965 4.793 0.416 1.00 0.00 C ATOM 467 CG1 VAL A 34 75.143 4.062 -0.235 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.564 6.006 -0.429 1.00 0.00 C ATOM 0 H VAL A 34 71.839 4.815 2.144 1.00 0.00 H new ATOM 0 HA VAL A 34 72.471 3.520 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 34 74.263 5.137 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.989 4.744 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.428 3.210 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.851 3.711 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.413 6.684 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.260 5.674 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.733 6.524 0.050 1.00 0.00 H new ATOM 478 N GLN A 35 73.442 1.511 0.655 1.00 0.00 N ATOM 479 CA GLN A 35 73.825 0.257 1.295 1.00 0.00 C ATOM 480 C GLN A 35 75.209 -0.156 0.805 1.00 0.00 C ATOM 481 O GLN A 35 75.699 0.361 -0.199 1.00 0.00 O ATOM 482 CB GLN A 35 72.823 -0.843 0.934 1.00 0.00 C ATOM 483 CG GLN A 35 71.425 -0.476 1.435 1.00 0.00 C ATOM 484 CD GLN A 35 70.459 -1.619 1.142 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.172 -1.418 1.224 1.00 0.00 O flip ATOM 486 NE2 GLN A 35 70.888 -2.722 0.805 1.00 0.00 N flip ATOM 0 H GLN A 35 73.392 1.463 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 35 73.835 0.398 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.803 -0.985 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.137 -1.789 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.453 -0.276 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.082 0.437 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.894 -2.880 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.238 -3.478 0.590 1.00 0.00 H new ATOM 495 N TRP A 36 75.873 -1.023 1.565 1.00 0.00 N ATOM 496 CA TRP A 36 77.225 -1.457 1.228 1.00 0.00 C ATOM 497 C TRP A 36 77.306 -2.979 1.189 1.00 0.00 C ATOM 498 O TRP A 36 76.580 -3.669 1.904 1.00 0.00 O ATOM 499 CB TRP A 36 78.216 -0.913 2.257 1.00 0.00 C ATOM 500 CG TRP A 36 77.953 0.542 2.475 1.00 0.00 C ATOM 501 CD1 TRP A 36 76.870 1.045 3.110 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.750 1.689 2.055 1.00 0.00 C ATOM 503 NE1 TRP A 36 76.953 2.424 3.117 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.092 2.872 2.479 1.00 0.00 C ATOM 505 CE3 TRP A 36 79.974 1.820 1.379 1.00 0.00 C ATOM 506 CZ2 TRP A 36 78.626 4.140 2.224 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.505 3.088 1.111 1.00 0.00 C ATOM 508 CH2 TRP A 36 79.835 4.245 1.527 1.00 0.00 C ATOM 0 H TRP A 36 75.497 -1.438 2.417 1.00 0.00 H new ATOM 0 HA TRP A 36 77.478 -1.069 0.241 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.118 -1.457 3.197 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.238 -1.061 1.908 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.070 0.463 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.257 3.037 3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.510 0.937 1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.111 5.027 2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.440 3.174 0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.251 5.218 1.310 1.00 0.00 H new ATOM 519 N TYR A 37 78.157 -3.491 0.305 1.00 0.00 N ATOM 520 CA TYR A 37 78.307 -4.929 0.111 1.00 0.00 C ATOM 521 C TYR A 37 79.780 -5.268 -0.092 1.00 0.00 C ATOM 522 O TYR A 37 80.558 -4.435 -0.558 1.00 0.00 O ATOM 523 CB TYR A 37 77.491 -5.391 -1.100 1.00 0.00 C ATOM 524 CG TYR A 37 76.054 -5.638 -0.706 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.138 -4.580 -0.720 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.639 -6.923 -0.334 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.814 -4.798 -0.324 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.299 -7.155 0.003 1.00 0.00 C ATOM 529 CZ TYR A 37 73.394 -6.087 0.027 1.00 0.00 C ATOM 530 OH TYR A 37 72.069 -6.314 0.334 1.00 0.00 O ATOM 0 H TYR A 37 78.758 -2.925 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 37 77.937 -5.446 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.534 -4.636 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.924 -6.303 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.453 -3.596 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.351 -7.734 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.117 -3.974 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.965 -8.154 0.243 1.00 0.00 H new ATOM 0 HH TYR A 37 71.989 -6.551 1.281 1.00 0.00 H new ATOM 540 N GLN A 38 80.151 -6.501 0.237 1.00 0.00 N ATOM 541 CA GLN A 38 81.524 -6.963 0.058 1.00 0.00 C ATOM 542 C GLN A 38 81.505 -8.324 -0.629 1.00 0.00 C ATOM 543 O GLN A 38 80.834 -9.243 -0.160 1.00 0.00 O ATOM 544 CB GLN A 38 82.215 -7.066 1.425 1.00 0.00 C ATOM 545 CG GLN A 38 83.133 -5.866 1.672 1.00 0.00 C ATOM 546 CD GLN A 38 84.433 -6.035 0.892 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.439 -5.945 -0.336 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.530 -6.342 1.529 1.00 0.00 N ATOM 0 H GLN A 38 79.520 -7.199 0.629 1.00 0.00 H new ATOM 0 HA GLN A 38 82.077 -6.256 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.463 -7.121 2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.795 -7.987 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.633 -4.946 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.347 -5.775 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.525 -6.417 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.392 -6.507 1.010 1.00 0.00 H new ATOM 557 N GLN A 39 82.431 -8.511 -1.567 1.00 0.00 N ATOM 558 CA GLN A 39 82.526 -9.767 -2.307 1.00 0.00 C ATOM 559 C GLN A 39 83.904 -10.388 -2.106 1.00 0.00 C ATOM 560 O GLN A 39 84.873 -9.986 -2.749 1.00 0.00 O ATOM 561 CB GLN A 39 82.271 -9.509 -3.799 1.00 0.00 C ATOM 562 CG GLN A 39 81.212 -10.474 -4.343 1.00 0.00 C ATOM 563 CD GLN A 39 81.183 -10.418 -5.866 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.124 -10.864 -6.525 1.00 0.00 O ATOM 565 NE2 GLN A 39 80.133 -9.926 -6.465 1.00 0.00 N ATOM 0 H GLN A 39 83.124 -7.811 -1.832 1.00 0.00 H new ATOM 0 HA GLN A 39 81.773 -10.461 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 39 81.941 -8.480 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.199 -9.628 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.431 -11.490 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.232 -10.213 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 39 79.357 -9.558 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 39 80.088 -9.909 -7.484 1.00 0.00 H new ATOM 574 N ARG A 40 83.966 -11.421 -1.271 1.00 0.00 N ATOM 575 CA ARG A 40 85.217 -12.137 -1.046 1.00 0.00 C ATOM 576 C ARG A 40 85.465 -13.138 -2.172 1.00 0.00 C ATOM 577 O ARG A 40 84.523 -13.769 -2.653 1.00 0.00 O ATOM 578 CB ARG A 40 85.170 -12.852 0.311 1.00 0.00 C ATOM 579 CG ARG A 40 85.879 -12.026 1.388 1.00 0.00 C ATOM 580 CD ARG A 40 85.952 -12.796 2.713 1.00 0.00 C ATOM 581 NE ARG A 40 84.877 -12.366 3.599 1.00 0.00 N ATOM 582 CZ ARG A 40 84.913 -12.628 4.901 1.00 0.00 C ATOM 583 NH1 ARG A 40 86.011 -12.438 5.581 1.00 0.00 N ATOM 584 NH2 ARG A 40 83.831 -13.029 5.510 1.00 0.00 N ATOM 0 H ARG A 40 83.171 -11.779 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 40 86.040 -11.422 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.133 -13.022 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.643 -13.831 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.885 -11.774 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.348 -11.086 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.874 -13.867 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.917 -12.626 3.190 1.00 0.00 H new ATOM 0 HE ARG A 40 84.083 -11.855 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.846 -12.087 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.033 -12.641 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.963 -13.140 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 40 83.854 -13.231 6.509 1.00 0.00 H new ATOM 598 N PRO A 41 86.702 -13.403 -2.503 1.00 0.00 N ATOM 599 CA PRO A 41 87.038 -14.393 -3.563 1.00 0.00 C ATOM 600 C PRO A 41 86.393 -15.747 -3.279 1.00 0.00 C ATOM 601 O PRO A 41 86.529 -16.289 -2.181 1.00 0.00 O ATOM 602 CB PRO A 41 88.571 -14.489 -3.559 1.00 0.00 C ATOM 603 CG PRO A 41 89.083 -13.580 -2.484 1.00 0.00 C ATOM 604 CD PRO A 41 87.905 -12.765 -1.941 1.00 0.00 C ATOM 0 HA PRO A 41 86.659 -14.085 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.889 -15.515 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 41 88.975 -14.199 -4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.544 -14.160 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 41 89.852 -12.917 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.886 -12.779 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.975 -11.721 -2.245 1.00 0.00 H new ATOM 612 N GLY A 42 85.726 -16.305 -4.284 1.00 0.00 N ATOM 613 CA GLY A 42 85.129 -17.628 -4.138 1.00 0.00 C ATOM 614 C GLY A 42 83.893 -17.572 -3.246 1.00 0.00 C ATOM 615 O GLY A 42 83.083 -18.499 -3.237 1.00 0.00 O ATOM 0 H GLY A 42 85.586 -15.870 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.857 -18.019 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.859 -18.316 -3.712 1.00 0.00 H new ATOM 619 N SER A 43 83.719 -16.458 -2.541 1.00 0.00 N ATOM 620 CA SER A 43 82.584 -16.293 -1.638 1.00 0.00 C ATOM 621 C SER A 43 81.509 -15.441 -2.306 1.00 0.00 C ATOM 622 O SER A 43 81.765 -14.801 -3.326 1.00 0.00 O ATOM 623 CB SER A 43 83.054 -15.654 -0.327 1.00 0.00 C ATOM 624 OG SER A 43 82.517 -16.377 0.770 1.00 0.00 O ATOM 0 H SER A 43 84.349 -15.657 -2.577 1.00 0.00 H new ATOM 0 HA SER A 43 82.154 -17.269 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 84.143 -15.655 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.734 -14.613 -0.282 1.00 0.00 H new ATOM 0 HG SER A 43 82.818 -15.970 1.609 1.00 0.00 H new ATOM 630 N SER A 44 80.376 -15.286 -1.627 1.00 0.00 N ATOM 631 CA SER A 44 79.262 -14.515 -2.171 1.00 0.00 C ATOM 632 C SER A 44 79.253 -13.121 -1.548 1.00 0.00 C ATOM 633 O SER A 44 80.093 -12.824 -0.698 1.00 0.00 O ATOM 634 CB SER A 44 77.940 -15.236 -1.881 1.00 0.00 C ATOM 635 OG SER A 44 78.202 -16.610 -1.634 1.00 0.00 O ATOM 0 H SER A 44 80.205 -15.682 -0.703 1.00 0.00 H new ATOM 0 HA SER A 44 79.379 -14.420 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.448 -14.786 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.261 -15.129 -2.727 1.00 0.00 H new ATOM 0 HG SER A 44 77.360 -17.075 -1.446 1.00 0.00 H new ATOM 641 N PRO A 45 78.413 -12.236 -2.016 1.00 0.00 N ATOM 642 CA PRO A 45 78.318 -10.859 -1.454 1.00 0.00 C ATOM 643 C PRO A 45 77.746 -10.855 -0.037 1.00 0.00 C ATOM 644 O PRO A 45 76.871 -11.656 0.290 1.00 0.00 O ATOM 645 CB PRO A 45 77.413 -10.102 -2.437 1.00 0.00 C ATOM 646 CG PRO A 45 76.975 -11.083 -3.481 1.00 0.00 C ATOM 647 CD PRO A 45 77.320 -12.484 -2.971 1.00 0.00 C ATOM 0 HA PRO A 45 79.298 -10.392 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.551 -9.680 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.950 -9.270 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.904 -10.995 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.478 -10.885 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.465 -12.959 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.635 -13.141 -3.782 1.00 0.00 H new ATOM 655 N THR A 46 78.183 -9.896 0.775 1.00 0.00 N ATOM 656 CA THR A 46 77.641 -9.724 2.120 1.00 0.00 C ATOM 657 C THR A 46 77.443 -8.246 2.438 1.00 0.00 C ATOM 658 O THR A 46 78.320 -7.424 2.176 1.00 0.00 O ATOM 659 CB THR A 46 78.600 -10.330 3.147 1.00 0.00 C ATOM 660 OG1 THR A 46 79.884 -9.743 2.991 1.00 0.00 O ATOM 661 CG2 THR A 46 78.708 -11.845 2.950 1.00 0.00 C ATOM 0 H THR A 46 78.911 -9.226 0.525 1.00 0.00 H new ATOM 0 HA THR A 46 76.677 -10.230 2.166 1.00 0.00 H new ATOM 0 HB THR A 46 78.217 -10.132 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.787 -8.829 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.394 -12.260 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.725 -12.299 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.082 -12.056 1.948 1.00 0.00 H new ATOM 669 N THR A 47 76.290 -7.915 3.012 1.00 0.00 N ATOM 670 CA THR A 47 76.022 -6.538 3.409 1.00 0.00 C ATOM 671 C THR A 47 76.895 -6.131 4.592 1.00 0.00 C ATOM 672 O THR A 47 76.715 -6.644 5.697 1.00 0.00 O ATOM 673 CB THR A 47 74.541 -6.377 3.762 1.00 0.00 C ATOM 674 OG1 THR A 47 73.756 -6.665 2.614 1.00 0.00 O ATOM 675 CG2 THR A 47 74.253 -4.944 4.225 1.00 0.00 C ATOM 0 H THR A 47 75.536 -8.572 3.210 1.00 0.00 H new ATOM 0 HA THR A 47 76.263 -5.884 2.571 1.00 0.00 H new ATOM 0 HB THR A 47 74.292 -7.064 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.149 -6.227 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.196 -4.847 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.854 -4.719 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.505 -4.246 3.426 1.00 0.00 H new ATOM 683 N VAL A 48 77.581 -5.001 4.442 1.00 0.00 N ATOM 684 CA VAL A 48 78.445 -4.500 5.507 1.00 0.00 C ATOM 685 C VAL A 48 77.709 -3.455 6.340 1.00 0.00 C ATOM 686 O VAL A 48 77.749 -3.501 7.569 1.00 0.00 O ATOM 687 CB VAL A 48 79.691 -3.837 4.911 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.700 -3.505 6.018 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.334 -4.776 3.888 1.00 0.00 C ATOM 0 H VAL A 48 77.557 -4.421 3.604 1.00 0.00 H new ATOM 0 HA VAL A 48 78.730 -5.346 6.132 1.00 0.00 H new ATOM 0 HB VAL A 48 79.396 -2.911 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.580 -3.035 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.243 -2.822 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.995 -4.422 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.220 -4.302 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.619 -5.707 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.621 -4.989 3.091 1.00 0.00 H new ATOM 699 N ILE A 49 76.930 -2.606 5.674 1.00 0.00 N ATOM 700 CA ILE A 49 76.107 -1.618 6.365 1.00 0.00 C ATOM 701 C ILE A 49 74.767 -1.479 5.652 1.00 0.00 C ATOM 702 O ILE A 49 74.612 -1.908 4.509 1.00 0.00 O ATOM 703 CB ILE A 49 76.848 -0.275 6.411 1.00 0.00 C ATOM 704 CG1 ILE A 49 77.983 -0.379 7.435 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.892 0.869 6.776 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.644 0.983 7.641 1.00 0.00 C ATOM 0 H ILE A 49 76.852 -2.583 4.657 1.00 0.00 H new ATOM 0 HA ILE A 49 75.919 -1.943 7.388 1.00 0.00 H new ATOM 0 HB ILE A 49 77.258 -0.053 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.592 -0.747 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.724 -1.102 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.443 1.809 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.100 0.933 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.454 0.678 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.448 0.891 8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.053 1.336 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 49 77.904 1.696 8.005 1.00 0.00 H new ATOM 718 N TYR A 50 73.819 -0.834 6.324 1.00 0.00 N ATOM 719 CA TYR A 50 72.483 -0.643 5.768 1.00 0.00 C ATOM 720 C TYR A 50 71.973 0.773 6.017 1.00 0.00 C ATOM 721 O TYR A 50 72.326 1.414 7.007 1.00 0.00 O ATOM 722 CB TYR A 50 71.514 -1.653 6.389 1.00 0.00 C ATOM 723 CG TYR A 50 70.293 -1.797 5.513 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.360 -2.588 4.360 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.087 -1.182 5.872 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.224 -2.749 3.556 1.00 0.00 C ATOM 727 CE2 TYR A 50 67.968 -1.298 5.038 1.00 0.00 C ATOM 728 CZ TYR A 50 68.043 -2.067 3.870 1.00 0.00 C ATOM 729 OH TYR A 50 66.931 -2.210 3.064 1.00 0.00 O ATOM 0 H TYR A 50 73.950 -0.435 7.253 1.00 0.00 H new ATOM 0 HA TYR A 50 72.542 -0.799 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.006 -2.619 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.221 -1.324 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.286 -3.074 4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.020 -0.619 6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 50 69.260 -3.399 2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.048 -0.795 5.295 1.00 0.00 H new ATOM 0 HH TYR A 50 67.174 -2.017 2.134 1.00 0.00 H new ATOM 739 N GLU A 51 71.189 1.270 5.067 1.00 0.00 N ATOM 740 CA GLU A 51 70.636 2.618 5.137 1.00 0.00 C ATOM 741 C GLU A 51 71.685 3.625 5.593 1.00 0.00 C ATOM 742 O GLU A 51 71.353 4.721 6.044 1.00 0.00 O ATOM 743 CB GLU A 51 69.474 2.623 6.137 1.00 0.00 C ATOM 744 CG GLU A 51 68.222 1.991 5.516 1.00 0.00 C ATOM 745 CD GLU A 51 67.386 3.034 4.779 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.444 4.193 5.153 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.732 2.665 3.818 1.00 0.00 O ATOM 0 H GLU A 51 70.920 0.753 4.230 1.00 0.00 H new ATOM 0 HA GLU A 51 70.295 2.904 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.758 2.074 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.257 3.646 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.515 1.201 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 51 67.621 1.525 6.297 1.00 0.00 H new ATOM 754 N ASP A 52 72.955 3.270 5.430 1.00 0.00 N ATOM 755 CA ASP A 52 74.045 4.168 5.791 1.00 0.00 C ATOM 756 C ASP A 52 73.790 4.778 7.167 1.00 0.00 C ATOM 757 O ASP A 52 74.395 5.790 7.524 1.00 0.00 O ATOM 758 CB ASP A 52 74.179 5.284 4.753 1.00 0.00 C ATOM 759 CG ASP A 52 75.563 5.922 4.837 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.510 5.298 4.388 1.00 0.00 O ATOM 761 OD2 ASP A 52 75.673 6.966 5.457 1.00 0.00 O ATOM 0 H ASP A 52 73.254 2.371 5.052 1.00 0.00 H new ATOM 0 HA ASP A 52 74.971 3.594 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.017 4.881 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.412 6.040 4.921 1.00 0.00 H new ATOM 766 N ASN A 53 72.913 4.150 7.947 1.00 0.00 N ATOM 767 CA ASN A 53 72.549 4.667 9.265 1.00 0.00 C ATOM 768 C ASN A 53 73.048 3.745 10.373 1.00 0.00 C ATOM 769 O ASN A 53 73.145 4.150 11.532 1.00 0.00 O ATOM 770 CB ASN A 53 71.030 4.835 9.367 1.00 0.00 C ATOM 771 CG ASN A 53 70.582 6.054 8.566 1.00 0.00 C ATOM 772 OD1 ASN A 53 69.617 5.937 7.697 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 71.129 7.144 8.735 1.00 0.00 N flip ATOM 0 H ASN A 53 72.441 3.283 7.690 1.00 0.00 H new ATOM 0 HA ASN A 53 73.025 5.639 9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 53 70.532 3.941 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 53 70.738 4.949 10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.884 7.236 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.827 7.955 8.195 1.00 0.00 H new ATOM 780 N GLN A 54 73.314 2.491 10.022 1.00 0.00 N ATOM 781 CA GLN A 54 73.747 1.514 11.012 1.00 0.00 C ATOM 782 C GLN A 54 73.924 0.147 10.361 1.00 0.00 C ATOM 783 O GLN A 54 73.659 -0.020 9.170 1.00 0.00 O ATOM 784 CB GLN A 54 72.725 1.424 12.150 1.00 0.00 C ATOM 785 CG GLN A 54 71.300 1.562 11.603 1.00 0.00 C ATOM 786 CD GLN A 54 70.319 0.797 12.486 1.00 0.00 C ATOM 787 OE1 GLN A 54 69.387 1.384 13.036 1.00 0.00 O ATOM 788 NE2 GLN A 54 70.472 -0.489 12.645 1.00 0.00 N ATOM 0 H GLN A 54 73.238 2.131 9.071 1.00 0.00 H new ATOM 0 HA GLN A 54 74.704 1.835 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 54 72.831 0.471 12.668 1.00 0.00 H new ATOM 0 HB3 GLN A 54 72.917 2.208 12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 54 71.019 2.614 11.562 1.00 0.00 H new ATOM 0 HG3 GLN A 54 71.256 1.180 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.246 -0.971 12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 54 69.818 -1.012 13.227 1.00 0.00 H new ATOM 797 N ARG A 55 74.231 -0.855 11.180 1.00 0.00 N ATOM 798 CA ARG A 55 74.449 -2.210 10.682 1.00 0.00 C ATOM 799 C ARG A 55 73.732 -3.226 11.568 1.00 0.00 C ATOM 800 O ARG A 55 73.612 -3.009 12.773 1.00 0.00 O ATOM 801 CB ARG A 55 75.951 -2.501 10.665 1.00 0.00 C ATOM 802 CG ARG A 55 76.522 -2.403 12.083 1.00 0.00 C ATOM 803 CD ARG A 55 78.020 -2.088 12.046 1.00 0.00 C ATOM 804 NE ARG A 55 78.480 -1.734 13.384 1.00 0.00 N ATOM 805 CZ ARG A 55 78.543 -0.469 13.787 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.463 0.322 13.306 1.00 0.00 N ATOM 807 NH2 ARG A 55 77.683 -0.019 14.658 1.00 0.00 N ATOM 0 H ARG A 55 74.334 -0.755 12.190 1.00 0.00 H new ATOM 0 HA ARG A 55 74.047 -2.290 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.132 -3.497 10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.459 -1.793 10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.996 -1.626 12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.356 -3.341 12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.574 -2.951 11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.212 -1.267 11.356 1.00 0.00 H new ATOM 0 HE ARG A 55 78.760 -2.475 14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.132 -0.031 12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.513 1.293 13.614 1.00 0.00 H new ATOM 0 HH21 ARG A 55 76.962 -0.638 15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.731 0.952 14.968 1.00 0.00 H new ATOM 821 N PRO A 56 73.388 -4.377 11.052 1.00 0.00 N ATOM 822 CA PRO A 56 72.628 -5.392 11.836 1.00 0.00 C ATOM 823 C PRO A 56 73.360 -5.738 13.130 1.00 0.00 C ATOM 824 O PRO A 56 74.581 -5.868 13.131 1.00 0.00 O ATOM 825 CB PRO A 56 72.526 -6.608 10.903 1.00 0.00 C ATOM 826 CG PRO A 56 73.242 -6.254 9.636 1.00 0.00 C ATOM 827 CD PRO A 56 73.415 -4.735 9.624 1.00 0.00 C ATOM 0 HA PRO A 56 71.645 -5.033 12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.975 -7.487 11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.483 -6.851 10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.211 -6.752 9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.672 -6.583 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.353 -4.441 9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.614 -4.244 9.071 1.00 0.00 H new ATOM 835 N SER A 57 72.625 -5.958 14.214 1.00 0.00 N ATOM 836 CA SER A 57 73.285 -6.296 15.469 1.00 0.00 C ATOM 837 C SER A 57 74.044 -7.609 15.307 1.00 0.00 C ATOM 838 O SER A 57 73.463 -8.619 14.909 1.00 0.00 O ATOM 839 CB SER A 57 72.255 -6.405 16.598 1.00 0.00 C ATOM 840 OG SER A 57 72.751 -5.740 17.751 1.00 0.00 O ATOM 0 H SER A 57 71.607 -5.911 14.252 1.00 0.00 H new ATOM 0 HA SER A 57 73.992 -5.508 15.728 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.309 -5.962 16.287 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.057 -7.452 16.825 1.00 0.00 H new ATOM 0 HG SER A 57 72.094 -5.806 18.475 1.00 0.00 H new ATOM 846 N GLY A 58 75.283 -7.634 15.788 1.00 0.00 N ATOM 847 CA GLY A 58 76.078 -8.858 15.787 1.00 0.00 C ATOM 848 C GLY A 58 77.185 -8.794 14.738 1.00 0.00 C ATOM 849 O GLY A 58 78.254 -9.376 14.924 1.00 0.00 O ATOM 0 H GLY A 58 75.758 -6.822 16.183 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.516 -9.012 16.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.433 -9.714 15.588 1.00 0.00 H new ATOM 853 N VAL A 59 76.969 -8.005 13.689 1.00 0.00 N ATOM 854 CA VAL A 59 77.976 -7.853 12.644 1.00 0.00 C ATOM 855 C VAL A 59 79.110 -6.959 13.142 1.00 0.00 C ATOM 856 O VAL A 59 78.843 -5.948 13.791 1.00 0.00 O ATOM 857 CB VAL A 59 77.319 -7.231 11.408 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.877 -5.790 11.697 1.00 0.00 C ATOM 859 CG2 VAL A 59 78.287 -7.237 10.222 1.00 0.00 C ATOM 0 H VAL A 59 76.115 -7.467 13.541 1.00 0.00 H new ATOM 0 HA VAL A 59 78.390 -8.828 12.386 1.00 0.00 H new ATOM 0 HB VAL A 59 76.443 -7.830 11.158 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.413 -5.366 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.159 -5.787 12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.745 -5.192 11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.802 -6.791 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 79.177 -6.661 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 59 78.573 -8.263 9.991 1.00 0.00 H new ATOM 869 N PRO A 60 80.343 -7.208 12.786 1.00 0.00 N ATOM 870 CA PRO A 60 81.461 -6.401 13.351 1.00 0.00 C ATOM 871 C PRO A 60 81.234 -4.915 13.089 1.00 0.00 C ATOM 872 O PRO A 60 80.612 -4.547 12.093 1.00 0.00 O ATOM 873 CB PRO A 60 82.713 -6.916 12.627 1.00 0.00 C ATOM 874 CG PRO A 60 82.294 -8.074 11.775 1.00 0.00 C ATOM 875 CD PRO A 60 80.856 -8.435 12.154 1.00 0.00 C ATOM 0 HA PRO A 60 81.549 -6.503 14.433 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.153 -6.129 12.015 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.473 -7.223 13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.357 -7.814 10.718 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.956 -8.925 11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.268 -8.710 11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.823 -9.282 12.839 1.00 0.00 H new ATOM 883 N ASP A 61 81.706 -4.065 13.997 1.00 0.00 N ATOM 884 CA ASP A 61 81.485 -2.626 13.881 1.00 0.00 C ATOM 885 C ASP A 61 82.764 -1.926 13.436 1.00 0.00 C ATOM 886 O ASP A 61 83.069 -0.821 13.886 1.00 0.00 O ATOM 887 CB ASP A 61 81.019 -2.063 15.227 1.00 0.00 C ATOM 888 CG ASP A 61 81.787 -2.728 16.364 1.00 0.00 C ATOM 889 OD1 ASP A 61 82.946 -2.394 16.548 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.213 -3.587 17.014 1.00 0.00 O ATOM 0 H ASP A 61 82.242 -4.346 14.818 1.00 0.00 H new ATOM 0 HA ASP A 61 80.714 -2.448 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.175 -0.985 15.253 1.00 0.00 H new ATOM 0 HB3 ASP A 61 79.950 -2.233 15.351 1.00 0.00 H new ATOM 895 N ARG A 62 83.472 -2.534 12.488 1.00 0.00 N ATOM 896 CA ARG A 62 84.680 -1.925 11.945 1.00 0.00 C ATOM 897 C ARG A 62 84.375 -1.144 10.672 1.00 0.00 C ATOM 898 O ARG A 62 85.295 -0.682 9.999 1.00 0.00 O ATOM 899 CB ARG A 62 85.725 -3.003 11.656 1.00 0.00 C ATOM 900 CG ARG A 62 85.181 -3.994 10.626 1.00 0.00 C ATOM 901 CD ARG A 62 86.188 -5.130 10.436 1.00 0.00 C ATOM 902 NE ARG A 62 87.360 -4.646 9.713 1.00 0.00 N ATOM 903 CZ ARG A 62 87.428 -4.691 8.386 1.00 0.00 C ATOM 904 NH1 ARG A 62 86.813 -5.638 7.732 1.00 0.00 N ATOM 905 NH2 ARG A 62 88.174 -3.837 7.741 1.00 0.00 N ATOM 0 H ARG A 62 83.232 -3.439 12.084 1.00 0.00 H new ATOM 0 HA ARG A 62 85.073 -1.230 12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 62 86.640 -2.543 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 62 85.983 -3.527 12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 62 84.223 -4.394 10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.002 -3.488 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.488 -5.527 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.724 -5.949 9.886 1.00 0.00 H new ATOM 0 HE ARG A 62 88.146 -4.264 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.280 -6.344 8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 62 86.866 -5.672 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.706 -3.134 8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 62 88.226 -3.872 6.723 1.00 0.00 H new ATOM 919 N PHE A 63 83.095 -1.017 10.333 1.00 0.00 N ATOM 920 CA PHE A 63 82.678 -0.256 9.158 1.00 0.00 C ATOM 921 C PHE A 63 81.754 0.885 9.568 1.00 0.00 C ATOM 922 O PHE A 63 80.988 0.759 10.523 1.00 0.00 O ATOM 923 CB PHE A 63 81.980 -1.173 8.145 1.00 0.00 C ATOM 924 CG PHE A 63 82.472 -2.591 8.305 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.879 -3.417 9.267 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.450 -3.108 7.446 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.258 -4.761 9.367 1.00 0.00 C ATOM 928 CE2 PHE A 63 83.836 -4.450 7.552 1.00 0.00 C ATOM 929 CZ PHE A 63 83.272 -5.263 8.543 1.00 0.00 C ATOM 0 H PHE A 63 82.325 -1.433 10.858 1.00 0.00 H new ATOM 0 HA PHE A 63 83.565 0.167 8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 63 80.901 -1.135 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.176 -0.824 7.131 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.128 -3.017 9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 63 83.906 -2.472 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.769 -5.409 10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.568 -4.857 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.619 -6.277 8.671 1.00 0.00 H new ATOM 939 N SER A 64 81.772 1.966 8.793 1.00 0.00 N ATOM 940 CA SER A 64 80.887 3.094 9.066 1.00 0.00 C ATOM 941 C SER A 64 80.540 3.821 7.771 1.00 0.00 C ATOM 942 O SER A 64 81.428 4.364 7.119 1.00 0.00 O ATOM 943 CB SER A 64 81.574 4.063 10.031 1.00 0.00 C ATOM 944 OG SER A 64 80.616 4.952 10.586 1.00 0.00 O ATOM 0 H SER A 64 82.380 2.085 7.983 1.00 0.00 H new ATOM 0 HA SER A 64 79.968 2.720 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.071 3.507 10.826 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.345 4.627 9.506 1.00 0.00 H new ATOM 0 HG SER A 64 81.061 5.569 11.204 1.00 0.00 H new ATOM 950 N GLY A 65 79.254 3.865 7.430 1.00 0.00 N ATOM 951 CA GLY A 65 78.814 4.536 6.210 1.00 0.00 C ATOM 952 C GLY A 65 78.384 5.973 6.490 1.00 0.00 C ATOM 953 O GLY A 65 77.724 6.246 7.492 1.00 0.00 O ATOM 0 H GLY A 65 78.502 3.446 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.622 4.532 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.983 3.985 5.769 1.00 0.00 H new ATOM 957 N SER A 66 78.733 6.882 5.583 1.00 0.00 N ATOM 958 CA SER A 66 78.376 8.291 5.727 1.00 0.00 C ATOM 959 C SER A 66 77.928 8.858 4.383 1.00 0.00 C ATOM 960 O SER A 66 78.489 8.520 3.341 1.00 0.00 O ATOM 961 CB SER A 66 79.578 9.069 6.274 1.00 0.00 C ATOM 962 OG SER A 66 79.141 9.949 7.299 1.00 0.00 O ATOM 0 H SER A 66 79.264 6.667 4.739 1.00 0.00 H new ATOM 0 HA SER A 66 77.547 8.387 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.325 8.378 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.055 9.634 5.473 1.00 0.00 H new ATOM 0 HG SER A 66 79.908 10.447 7.652 1.00 0.00 H new ATOM 968 N ILE A 67 76.953 9.762 4.412 1.00 0.00 N ATOM 969 CA ILE A 67 76.436 10.382 3.194 1.00 0.00 C ATOM 970 C ILE A 67 76.645 11.893 3.215 1.00 0.00 C ATOM 971 O ILE A 67 76.457 12.539 4.245 1.00 0.00 O ATOM 972 CB ILE A 67 74.942 10.074 3.049 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.197 10.592 4.283 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.716 8.566 2.866 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.747 10.100 4.268 1.00 0.00 C ATOM 0 H ILE A 67 76.503 10.083 5.269 1.00 0.00 H new ATOM 0 HA ILE A 67 76.982 9.970 2.345 1.00 0.00 H new ATOM 0 HB ILE A 67 74.555 10.576 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.696 10.249 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.219 11.682 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.649 8.368 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.235 8.226 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.104 8.032 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.227 10.474 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.248 10.465 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.733 9.010 4.273 1.00 0.00 H new ATOM 987 N ASP A 68 77.132 12.434 2.101 1.00 0.00 N ATOM 988 CA ASP A 68 77.419 13.862 1.988 1.00 0.00 C ATOM 989 C ASP A 68 76.533 14.518 0.935 1.00 0.00 C ATOM 990 O ASP A 68 76.836 14.464 -0.258 1.00 0.00 O ATOM 991 CB ASP A 68 78.879 14.056 1.577 1.00 0.00 C ATOM 992 CG ASP A 68 79.806 13.513 2.660 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.863 14.114 3.720 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.392 12.465 2.442 1.00 0.00 O ATOM 0 H ASP A 68 77.338 11.900 1.257 1.00 0.00 H new ATOM 0 HA ASP A 68 77.225 14.323 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.070 13.544 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.081 15.114 1.412 1.00 0.00 H new ATOM 999 N SER A 69 75.420 15.097 1.370 1.00 0.00 N ATOM 1000 CA SER A 69 74.521 15.782 0.449 1.00 0.00 C ATOM 1001 C SER A 69 75.247 16.933 -0.238 1.00 0.00 C ATOM 1002 O SER A 69 75.027 17.209 -1.418 1.00 0.00 O ATOM 1003 CB SER A 69 73.306 16.320 1.207 1.00 0.00 C ATOM 1004 OG SER A 69 73.680 17.478 1.938 1.00 0.00 O ATOM 0 H SER A 69 75.120 15.106 2.345 1.00 0.00 H new ATOM 0 HA SER A 69 74.187 15.071 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.505 16.561 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.920 15.558 1.884 1.00 0.00 H new ATOM 0 HG SER A 69 72.902 17.824 2.423 1.00 0.00 H new ATOM 1010 N SER A 70 76.079 17.632 0.525 1.00 0.00 N ATOM 1011 CA SER A 70 76.812 18.775 -0.005 1.00 0.00 C ATOM 1012 C SER A 70 77.753 18.351 -1.128 1.00 0.00 C ATOM 1013 O SER A 70 77.751 18.939 -2.209 1.00 0.00 O ATOM 1014 CB SER A 70 77.650 19.389 1.115 1.00 0.00 C ATOM 1015 OG SER A 70 76.821 19.644 2.239 1.00 0.00 O ATOM 0 H SER A 70 76.262 17.429 1.508 1.00 0.00 H new ATOM 0 HA SER A 70 76.092 19.493 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.459 18.713 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 70 78.112 20.315 0.773 1.00 0.00 H new ATOM 0 HG SER A 70 77.358 20.036 2.959 1.00 0.00 H new ATOM 1021 N SER A 71 78.564 17.333 -0.858 1.00 0.00 N ATOM 1022 CA SER A 71 79.526 16.857 -1.845 1.00 0.00 C ATOM 1023 C SER A 71 78.838 15.921 -2.833 1.00 0.00 C ATOM 1024 O SER A 71 79.404 15.579 -3.871 1.00 0.00 O ATOM 1025 CB SER A 71 80.668 16.112 -1.149 1.00 0.00 C ATOM 1026 OG SER A 71 81.770 15.995 -2.038 1.00 0.00 O ATOM 0 H SER A 71 78.575 16.826 0.027 1.00 0.00 H new ATOM 0 HA SER A 71 79.931 17.715 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.969 16.647 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.333 15.123 -0.836 1.00 0.00 H new ATOM 0 HG SER A 71 81.441 15.836 -2.947 1.00 0.00 H new ATOM 1032 N ASN A 72 77.581 15.595 -2.550 1.00 0.00 N ATOM 1033 CA ASN A 72 76.815 14.744 -3.453 1.00 0.00 C ATOM 1034 C ASN A 72 77.510 13.400 -3.646 1.00 0.00 C ATOM 1035 O ASN A 72 77.557 12.869 -4.756 1.00 0.00 O ATOM 1036 CB ASN A 72 76.635 15.432 -4.809 1.00 0.00 C ATOM 1037 CG ASN A 72 75.459 14.816 -5.562 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.424 15.462 -5.729 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.545 13.593 -6.011 1.00 0.00 N ATOM 0 H ASN A 72 77.078 15.901 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 72 75.835 14.572 -3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.464 16.499 -4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.546 15.332 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.755 13.173 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.402 13.058 -5.873 1.00 0.00 H new ATOM 1046 N SER A 73 78.126 12.895 -2.580 1.00 0.00 N ATOM 1047 CA SER A 73 78.828 11.618 -2.641 1.00 0.00 C ATOM 1048 C SER A 73 78.815 10.934 -1.280 1.00 0.00 C ATOM 1049 O SER A 73 78.445 11.538 -0.275 1.00 0.00 O ATOM 1050 CB SER A 73 80.276 11.840 -3.077 1.00 0.00 C ATOM 1051 OG SER A 73 80.893 12.779 -2.209 1.00 0.00 O ATOM 0 H SER A 73 78.153 13.349 -1.667 1.00 0.00 H new ATOM 0 HA SER A 73 78.319 10.982 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.822 10.897 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.306 12.204 -4.104 1.00 0.00 H new ATOM 0 HG SER A 73 81.822 12.920 -2.487 1.00 0.00 H new ATOM 1057 N ALA A 74 79.084 9.632 -1.265 1.00 0.00 N ATOM 1058 CA ALA A 74 79.036 8.858 -0.028 1.00 0.00 C ATOM 1059 C ALA A 74 80.450 8.447 0.359 1.00 0.00 C ATOM 1060 O ALA A 74 81.334 8.431 -0.494 1.00 0.00 O ATOM 1061 CB ALA A 74 78.192 7.598 -0.232 1.00 0.00 C ATOM 0 H ALA A 74 79.337 9.092 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 74 78.592 9.468 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 74 78.161 7.026 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 74 77.179 7.881 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.634 6.988 -1.020 1.00 0.00 H new ATOM 1067 N SER A 75 80.692 8.314 1.659 1.00 0.00 N ATOM 1068 CA SER A 75 82.029 7.990 2.151 1.00 0.00 C ATOM 1069 C SER A 75 81.949 7.113 3.396 1.00 0.00 C ATOM 1070 O SER A 75 81.366 7.512 4.403 1.00 0.00 O ATOM 1071 CB SER A 75 82.808 9.270 2.477 1.00 0.00 C ATOM 1072 OG SER A 75 82.413 10.307 1.592 1.00 0.00 O ATOM 0 H SER A 75 79.986 8.424 2.387 1.00 0.00 H new ATOM 0 HA SER A 75 82.551 7.444 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.622 9.568 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.879 9.089 2.386 1.00 0.00 H new ATOM 0 HG SER A 75 81.779 10.900 2.046 1.00 0.00 H new ATOM 1078 N LEU A 76 82.472 5.895 3.295 1.00 0.00 N ATOM 1079 CA LEU A 76 82.488 4.981 4.431 1.00 0.00 C ATOM 1080 C LEU A 76 83.838 5.044 5.138 1.00 0.00 C ATOM 1081 O LEU A 76 84.890 5.027 4.501 1.00 0.00 O ATOM 1082 CB LEU A 76 82.141 3.561 3.961 1.00 0.00 C ATOM 1083 CG LEU A 76 82.887 2.474 4.747 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.168 1.134 4.566 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.355 2.358 4.308 1.00 0.00 C ATOM 0 H LEU A 76 82.888 5.520 2.443 1.00 0.00 H new ATOM 0 HA LEU A 76 81.732 5.281 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.067 3.403 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.380 3.465 2.902 1.00 0.00 H new ATOM 0 HG LEU A 76 82.887 2.753 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.696 0.360 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.147 1.216 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.149 0.871 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.848 1.578 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.399 2.105 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.861 3.309 4.475 1.00 0.00 H new ATOM 1097 N THR A 77 83.795 5.039 6.466 1.00 0.00 N ATOM 1098 CA THR A 77 85.004 5.000 7.281 1.00 0.00 C ATOM 1099 C THR A 77 85.122 3.655 7.992 1.00 0.00 C ATOM 1100 O THR A 77 84.259 3.282 8.786 1.00 0.00 O ATOM 1101 CB THR A 77 84.953 6.123 8.319 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.667 7.354 7.672 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.298 6.227 9.040 1.00 0.00 C ATOM 0 H THR A 77 82.929 5.062 7.004 1.00 0.00 H new ATOM 0 HA THR A 77 85.871 5.133 6.634 1.00 0.00 H new ATOM 0 HB THR A 77 84.172 5.902 9.047 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.633 8.073 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.254 7.028 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.516 5.284 9.541 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.083 6.443 8.316 1.00 0.00 H new ATOM 1111 N ILE A 78 86.208 2.938 7.718 1.00 0.00 N ATOM 1112 CA ILE A 78 86.450 1.633 8.329 1.00 0.00 C ATOM 1113 C ILE A 78 87.629 1.729 9.293 1.00 0.00 C ATOM 1114 O ILE A 78 88.635 2.366 8.984 1.00 0.00 O ATOM 1115 CB ILE A 78 86.723 0.629 7.201 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.433 -0.080 6.778 1.00 0.00 C ATOM 1117 CG2 ILE A 78 87.757 -0.436 7.586 1.00 0.00 C ATOM 1118 CD1 ILE A 78 85.611 -0.797 5.436 1.00 0.00 C ATOM 0 H ILE A 78 86.939 3.240 7.073 1.00 0.00 H new ATOM 0 HA ILE A 78 85.585 1.301 8.903 1.00 0.00 H new ATOM 0 HB ILE A 78 87.126 1.215 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.143 -0.800 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.624 0.646 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 78 87.908 -1.117 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.702 0.047 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.398 -0.997 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 78 84.679 -1.291 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 78 85.877 -0.071 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.404 -1.540 5.523 1.00 0.00 H new ATOM 1130 N SER A 79 87.570 0.966 10.383 1.00 0.00 N ATOM 1131 CA SER A 79 88.663 0.918 11.353 1.00 0.00 C ATOM 1132 C SER A 79 89.264 -0.483 11.424 1.00 0.00 C ATOM 1133 O SER A 79 88.660 -1.456 10.974 1.00 0.00 O ATOM 1134 CB SER A 79 88.154 1.366 12.728 1.00 0.00 C ATOM 1135 OG SER A 79 88.683 2.648 13.033 1.00 0.00 O ATOM 0 H SER A 79 86.775 0.371 10.617 1.00 0.00 H new ATOM 0 HA SER A 79 89.451 1.599 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.065 1.400 12.731 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.453 0.647 13.490 1.00 0.00 H new ATOM 0 HG SER A 79 88.357 2.936 13.911 1.00 0.00 H new ATOM 1141 N GLY A 80 90.449 -0.576 12.018 1.00 0.00 N ATOM 1142 CA GLY A 80 91.096 -1.867 12.212 1.00 0.00 C ATOM 1143 C GLY A 80 91.007 -2.734 10.960 1.00 0.00 C ATOM 1144 O GLY A 80 90.190 -3.652 10.892 1.00 0.00 O ATOM 0 H GLY A 80 90.977 0.222 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.143 -1.714 12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.629 -2.386 13.049 1.00 0.00 H new ATOM 1148 N LEU A 81 91.738 -2.345 9.919 1.00 0.00 N ATOM 1149 CA LEU A 81 91.726 -3.078 8.657 1.00 0.00 C ATOM 1150 C LEU A 81 92.616 -4.317 8.750 1.00 0.00 C ATOM 1151 O LEU A 81 93.690 -4.266 9.350 1.00 0.00 O ATOM 1152 CB LEU A 81 92.136 -2.128 7.521 1.00 0.00 C ATOM 1153 CG LEU A 81 93.586 -2.348 7.069 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.702 -3.604 6.191 1.00 0.00 C ATOM 1155 CD2 LEU A 81 94.114 -1.110 6.334 1.00 0.00 C ATOM 0 H LEU A 81 92.346 -1.526 9.925 1.00 0.00 H new ATOM 0 HA LEU A 81 90.722 -3.441 8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.468 -2.272 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 81 92.014 -1.097 7.852 1.00 0.00 H new ATOM 0 HG LEU A 81 94.201 -2.504 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.739 -3.738 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.376 -4.476 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.073 -3.490 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 95.143 -1.284 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.496 -0.916 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 81 94.078 -0.248 7.001 1.00 0.00 H new ATOM 1167 N LYS A 82 92.237 -5.382 8.049 1.00 0.00 N ATOM 1168 CA LYS A 82 93.082 -6.568 7.948 1.00 0.00 C ATOM 1169 C LYS A 82 92.811 -7.329 6.653 1.00 0.00 C ATOM 1170 O LYS A 82 91.863 -7.026 5.930 1.00 0.00 O ATOM 1171 CB LYS A 82 92.828 -7.484 9.149 1.00 0.00 C ATOM 1172 CG LYS A 82 93.497 -6.905 10.399 1.00 0.00 C ATOM 1173 CD LYS A 82 93.475 -7.931 11.535 1.00 0.00 C ATOM 1174 CE LYS A 82 94.471 -7.503 12.615 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.047 -6.198 13.195 1.00 0.00 N ATOM 0 H LYS A 82 91.353 -5.448 7.544 1.00 0.00 H new ATOM 0 HA LYS A 82 94.124 -6.247 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.756 -7.590 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.219 -8.481 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.526 -6.624 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.980 -5.997 10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.472 -8.005 11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.734 -8.919 11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.523 -8.261 13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.470 -7.416 12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.573 -6.022 14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.244 -5.436 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.028 -6.224 13.401 1.00 0.00 H new ATOM 1189 N THR A 83 93.692 -8.274 6.338 1.00 0.00 N ATOM 1190 CA THR A 83 93.567 -9.058 5.113 1.00 0.00 C ATOM 1191 C THR A 83 92.155 -9.597 4.951 1.00 0.00 C ATOM 1192 O THR A 83 91.648 -9.730 3.838 1.00 0.00 O ATOM 1193 CB THR A 83 94.544 -10.235 5.145 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.299 -11.022 6.300 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.976 -9.698 5.192 1.00 0.00 C ATOM 0 H THR A 83 94.499 -8.515 6.913 1.00 0.00 H new ATOM 0 HA THR A 83 93.795 -8.403 4.272 1.00 0.00 H new ATOM 0 HB THR A 83 94.409 -10.847 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.923 -11.777 6.320 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.677 -10.532 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 83 96.165 -9.089 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.107 -9.089 6.087 1.00 0.00 H new ATOM 1203 N GLU A 84 91.505 -9.808 6.087 1.00 0.00 N ATOM 1204 CA GLU A 84 90.112 -10.233 6.065 1.00 0.00 C ATOM 1205 C GLU A 84 89.290 -9.248 5.243 1.00 0.00 C ATOM 1206 O GLU A 84 88.131 -9.506 4.922 1.00 0.00 O ATOM 1207 CB GLU A 84 89.559 -10.313 7.489 1.00 0.00 C ATOM 1208 CG GLU A 84 88.049 -10.562 7.446 1.00 0.00 C ATOM 1209 CD GLU A 84 87.557 -11.045 8.805 1.00 0.00 C ATOM 1210 OE1 GLU A 84 88.363 -11.105 9.718 1.00 0.00 O ATOM 1211 OE2 GLU A 84 86.384 -11.360 8.910 1.00 0.00 O ATOM 0 H GLU A 84 91.909 -9.695 7.017 1.00 0.00 H new ATOM 0 HA GLU A 84 90.050 -11.222 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.054 -11.115 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.769 -9.386 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.530 -9.645 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.817 -11.304 6.682 1.00 0.00 H new ATOM 1218 N ASP A 85 89.917 -8.136 4.870 1.00 0.00 N ATOM 1219 CA ASP A 85 89.262 -7.123 4.050 1.00 0.00 C ATOM 1220 C ASP A 85 89.584 -7.334 2.575 1.00 0.00 C ATOM 1221 O ASP A 85 88.743 -7.070 1.716 1.00 0.00 O ATOM 1222 CB ASP A 85 89.721 -5.727 4.473 1.00 0.00 C ATOM 1223 CG ASP A 85 89.572 -5.568 5.983 1.00 0.00 C ATOM 1224 OD1 ASP A 85 88.837 -6.346 6.571 1.00 0.00 O ATOM 1225 OD2 ASP A 85 90.209 -4.683 6.532 1.00 0.00 O ATOM 0 H ASP A 85 90.880 -7.914 5.123 1.00 0.00 H new ATOM 0 HA ASP A 85 88.185 -7.213 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.760 -5.573 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 85 89.131 -4.969 3.958 1.00 0.00 H new ATOM 1230 N GLU A 86 90.774 -7.855 2.281 1.00 0.00 N ATOM 1231 CA GLU A 86 91.155 -8.082 0.890 1.00 0.00 C ATOM 1232 C GLU A 86 90.000 -8.679 0.091 1.00 0.00 C ATOM 1233 O GLU A 86 89.765 -9.886 0.135 1.00 0.00 O ATOM 1234 CB GLU A 86 92.345 -9.041 0.825 1.00 0.00 C ATOM 1235 CG GLU A 86 92.843 -9.132 -0.619 1.00 0.00 C ATOM 1236 CD GLU A 86 94.090 -10.005 -0.685 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.400 -10.639 0.311 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.706 -10.045 -1.738 1.00 0.00 O ATOM 0 H GLU A 86 91.476 -8.122 2.971 1.00 0.00 H new ATOM 0 HA GLU A 86 91.423 -7.118 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 86 93.145 -8.690 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.052 -10.028 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.063 -9.549 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.066 -8.135 -0.999 1.00 0.00 H new ATOM 1245 N ALA A 87 89.264 -7.827 -0.616 1.00 0.00 N ATOM 1246 CA ALA A 87 88.130 -8.296 -1.403 1.00 0.00 C ATOM 1247 C ALA A 87 87.546 -7.164 -2.240 1.00 0.00 C ATOM 1248 O ALA A 87 88.029 -6.033 -2.197 1.00 0.00 O ATOM 1249 CB ALA A 87 87.047 -8.844 -0.473 1.00 0.00 C ATOM 0 H ALA A 87 89.429 -6.821 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 87 88.480 -9.083 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.201 -9.193 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.451 -9.674 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.715 -8.056 0.203 1.00 0.00 H new ATOM 1255 N ASP A 88 86.472 -7.463 -2.965 1.00 0.00 N ATOM 1256 CA ASP A 88 85.798 -6.457 -3.779 1.00 0.00 C ATOM 1257 C ASP A 88 84.613 -5.871 -3.016 1.00 0.00 C ATOM 1258 O ASP A 88 83.717 -6.601 -2.595 1.00 0.00 O ATOM 1259 CB ASP A 88 85.325 -7.081 -5.094 1.00 0.00 C ATOM 1260 CG ASP A 88 86.415 -7.982 -5.665 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.518 -7.946 -5.144 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.139 -8.681 -6.626 1.00 0.00 O ATOM 0 H ASP A 88 86.051 -8.391 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 88 86.500 -5.654 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.416 -7.658 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.077 -6.297 -5.810 1.00 0.00 H new ATOM 1267 N TYR A 89 84.501 -4.547 -3.053 1.00 0.00 N ATOM 1268 CA TYR A 89 83.408 -3.847 -2.387 1.00 0.00 C ATOM 1269 C TYR A 89 82.348 -3.459 -3.412 1.00 0.00 C ATOM 1270 O TYR A 89 82.624 -3.363 -4.607 1.00 0.00 O ATOM 1271 CB TYR A 89 83.933 -2.584 -1.694 1.00 0.00 C ATOM 1272 CG TYR A 89 84.427 -2.902 -0.301 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.686 -3.485 -0.119 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.628 -2.605 0.811 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.156 -3.749 1.173 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.083 -2.897 2.102 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.345 -3.476 2.281 1.00 0.00 C ATOM 1278 OH TYR A 89 85.784 -3.789 3.551 1.00 0.00 O ATOM 0 H TYR A 89 85.157 -3.935 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 89 82.970 -4.508 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.742 -2.151 -2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.141 -1.836 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.296 -3.731 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.659 -2.150 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.143 -4.163 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.462 -2.676 2.958 1.00 0.00 H new ATOM 0 HH TYR A 89 85.101 -3.533 4.206 1.00 0.00 H new ATOM 1288 N TYR A 90 81.126 -3.263 -2.927 1.00 0.00 N ATOM 1289 CA TYR A 90 80.000 -2.907 -3.784 1.00 0.00 C ATOM 1290 C TYR A 90 79.137 -1.854 -3.090 1.00 0.00 C ATOM 1291 O TYR A 90 78.912 -1.931 -1.882 1.00 0.00 O ATOM 1292 CB TYR A 90 79.197 -4.176 -4.099 1.00 0.00 C ATOM 1293 CG TYR A 90 79.699 -4.834 -5.365 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.863 -5.612 -5.340 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.965 -4.715 -6.552 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.340 -6.199 -6.518 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.415 -5.343 -7.719 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.602 -6.085 -7.702 1.00 0.00 C ATOM 1299 OH TYR A 90 81.083 -6.642 -8.870 1.00 0.00 O ATOM 0 H TYR A 90 80.889 -3.345 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 90 80.355 -2.479 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.274 -4.875 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.142 -3.925 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.393 -5.759 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.052 -4.139 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.275 -6.739 -6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.846 -5.255 -8.633 1.00 0.00 H new ATOM 0 HH TYR A 90 80.449 -6.473 -9.598 1.00 0.00 H new ATOM 1309 N CYS A 91 78.598 -0.918 -3.874 1.00 0.00 N ATOM 1310 CA CYS A 91 77.736 0.146 -3.357 1.00 0.00 C ATOM 1311 C CYS A 91 76.361 -0.016 -4.007 1.00 0.00 C ATOM 1312 O CYS A 91 76.269 -0.420 -5.166 1.00 0.00 O ATOM 1313 CB CYS A 91 78.246 1.555 -3.709 1.00 0.00 C ATOM 1314 SG CYS A 91 79.875 1.991 -3.033 1.00 0.00 S ATOM 0 H CYS A 91 78.746 -0.876 -4.882 1.00 0.00 H new ATOM 0 HA CYS A 91 77.713 0.057 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.286 1.647 -4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.518 2.285 -3.354 1.00 0.00 H new ATOM 1319 N GLN A 92 75.299 0.382 -3.311 1.00 0.00 N ATOM 1320 CA GLN A 92 73.958 0.370 -3.892 1.00 0.00 C ATOM 1321 C GLN A 92 73.160 1.584 -3.428 1.00 0.00 C ATOM 1322 O GLN A 92 73.376 2.097 -2.331 1.00 0.00 O ATOM 1323 CB GLN A 92 73.201 -0.896 -3.481 1.00 0.00 C ATOM 1324 CG GLN A 92 74.041 -2.138 -3.783 1.00 0.00 C ATOM 1325 CD GLN A 92 73.280 -3.393 -3.371 1.00 0.00 C ATOM 1326 OE1 GLN A 92 73.837 -4.562 -3.535 1.00 0.00 O flip ATOM 1327 NE2 GLN A 92 72.127 -3.313 -2.946 1.00 0.00 N flip ATOM 0 H GLN A 92 75.340 0.716 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 92 74.070 0.395 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.965 -0.858 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.253 -0.951 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.277 -2.178 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.989 -2.085 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 92 71.693 -2.399 -2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 92 71.606 -4.161 -2.722 1.00 0.00 H new ATOM 1336 N SER A 93 72.226 2.031 -4.262 1.00 0.00 N ATOM 1337 CA SER A 93 71.416 3.206 -3.949 1.00 0.00 C ATOM 1338 C SER A 93 69.989 3.027 -4.459 1.00 0.00 C ATOM 1339 O SER A 93 69.708 2.110 -5.232 1.00 0.00 O ATOM 1340 CB SER A 93 72.034 4.451 -4.590 1.00 0.00 C ATOM 1341 OG SER A 93 72.283 4.201 -5.965 1.00 0.00 O ATOM 0 H SER A 93 72.010 1.598 -5.160 1.00 0.00 H new ATOM 0 HA SER A 93 71.390 3.327 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.361 5.302 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.963 4.711 -4.083 1.00 0.00 H new ATOM 0 HG SER A 93 72.735 4.975 -6.361 1.00 0.00 H new ATOM 1347 N TYR A 94 69.086 3.896 -4.013 1.00 0.00 N ATOM 1348 CA TYR A 94 67.687 3.829 -4.423 1.00 0.00 C ATOM 1349 C TYR A 94 67.293 5.104 -5.161 1.00 0.00 C ATOM 1350 O TYR A 94 67.712 6.202 -4.796 1.00 0.00 O ATOM 1351 CB TYR A 94 66.793 3.671 -3.192 1.00 0.00 C ATOM 1352 CG TYR A 94 66.921 2.267 -2.648 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.136 1.238 -3.183 1.00 0.00 C ATOM 1354 CD2 TYR A 94 67.827 1.995 -1.615 1.00 0.00 C ATOM 1355 CE1 TYR A 94 66.240 -0.059 -2.668 1.00 0.00 C ATOM 1356 CE2 TYR A 94 67.942 0.693 -1.111 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.158 -0.336 -1.648 1.00 0.00 C ATOM 1358 OH TYR A 94 67.292 -1.626 -1.174 1.00 0.00 O ATOM 0 H TYR A 94 69.299 4.656 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 94 67.560 2.972 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.078 4.395 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.755 3.876 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.451 1.445 -3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.436 2.788 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.612 -0.847 -3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.634 0.483 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 94 67.877 -1.626 -0.388 1.00 0.00 H new ATOM 1368 N ASP A 95 66.490 4.944 -6.208 1.00 0.00 N ATOM 1369 CA ASP A 95 66.026 6.078 -6.998 1.00 0.00 C ATOM 1370 C ASP A 95 64.687 6.577 -6.470 1.00 0.00 C ATOM 1371 O ASP A 95 64.078 5.949 -5.604 1.00 0.00 O ATOM 1372 CB ASP A 95 65.878 5.665 -8.464 1.00 0.00 C ATOM 1373 CG ASP A 95 67.228 5.218 -9.014 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.212 5.875 -8.718 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.252 4.259 -9.768 1.00 0.00 O ATOM 0 H ASP A 95 66.147 4.039 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 95 66.759 6.881 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.153 4.856 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.495 6.501 -9.050 1.00 0.00 H new ATOM 1380 N SER A 96 64.212 7.686 -7.029 1.00 0.00 N ATOM 1381 CA SER A 96 62.928 8.244 -6.621 1.00 0.00 C ATOM 1382 C SER A 96 61.835 7.186 -6.737 1.00 0.00 C ATOM 1383 O SER A 96 60.893 7.159 -5.945 1.00 0.00 O ATOM 1384 CB SER A 96 62.580 9.444 -7.507 1.00 0.00 C ATOM 1385 OG SER A 96 61.605 10.245 -6.855 1.00 0.00 O ATOM 0 H SER A 96 64.692 8.212 -7.759 1.00 0.00 H new ATOM 0 HA SER A 96 62.998 8.569 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 96 63.475 10.033 -7.708 1.00 0.00 H new ATOM 0 HB3 SER A 96 62.201 9.101 -8.470 1.00 0.00 H new ATOM 0 HG SER A 96 61.382 11.014 -7.420 1.00 0.00 H new ATOM 1391 N SER A 97 61.941 6.363 -7.774 1.00 0.00 N ATOM 1392 CA SER A 97 60.953 5.320 -8.015 1.00 0.00 C ATOM 1393 C SER A 97 61.150 4.167 -7.036 1.00 0.00 C ATOM 1394 O SER A 97 60.512 3.121 -7.152 1.00 0.00 O ATOM 1395 CB SER A 97 61.085 4.812 -9.453 1.00 0.00 C ATOM 1396 OG SER A 97 62.189 3.923 -9.538 1.00 0.00 O ATOM 0 H SER A 97 62.697 6.398 -8.458 1.00 0.00 H new ATOM 0 HA SER A 97 59.956 5.735 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.170 4.303 -9.756 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.225 5.650 -10.135 1.00 0.00 H new ATOM 0 HG SER A 97 62.275 3.595 -10.457 1.00 0.00 H new ATOM 1402 N ASN A 98 62.015 4.385 -6.051 1.00 0.00 N ATOM 1403 CA ASN A 98 62.282 3.374 -5.035 1.00 0.00 C ATOM 1404 C ASN A 98 62.819 2.104 -5.689 1.00 0.00 C ATOM 1405 O ASN A 98 62.350 1.002 -5.402 1.00 0.00 O ATOM 1406 CB ASN A 98 60.996 3.081 -4.254 1.00 0.00 C ATOM 1407 CG ASN A 98 61.297 2.738 -2.797 1.00 0.00 C ATOM 1408 OD1 ASN A 98 62.429 2.164 -2.493 1.00 0.00 O flip ATOM 1409 ND2 ASN A 98 60.534 3.107 -1.904 1.00 0.00 N flip ATOM 0 H ASN A 98 62.542 5.251 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 98 63.037 3.745 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.337 3.948 -4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.464 2.253 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.649 3.556 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 98 60.786 2.964 -0.926 1.00 0.00 H new ATOM 1416 N HIS A 99 63.767 2.271 -6.608 1.00 0.00 N ATOM 1417 CA HIS A 99 64.355 1.144 -7.327 1.00 0.00 C ATOM 1418 C HIS A 99 65.820 0.985 -6.934 1.00 0.00 C ATOM 1419 O HIS A 99 66.595 1.940 -6.984 1.00 0.00 O ATOM 1420 CB HIS A 99 64.227 1.377 -8.837 1.00 0.00 C ATOM 1421 CG HIS A 99 64.116 0.069 -9.573 1.00 0.00 C ATOM 1422 ND1 HIS A 99 65.219 -0.597 -10.083 1.00 0.00 N ATOM 1423 CD2 HIS A 99 63.031 -0.721 -9.870 1.00 0.00 C ATOM 1424 CE1 HIS A 99 64.776 -1.707 -10.697 1.00 0.00 C ATOM 1425 NE2 HIS A 99 63.456 -1.854 -10.560 1.00 0.00 N ATOM 0 H HIS A 99 64.146 3.180 -6.873 1.00 0.00 H new ATOM 0 HA HIS A 99 63.825 0.228 -7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.349 1.990 -9.042 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.094 1.930 -9.199 1.00 0.00 H new ATOM 0 HD2 HIS A 99 62.007 -0.498 -9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 99 65.410 -2.396 -11.235 1.00 0.00 H new ATOM 0 HE2 HIS A 99 62.882 -2.630 -10.890 1.00 0.00 H new ATOM 1433 N VAL A 100 66.194 -0.234 -6.560 1.00 0.00 N ATOM 1434 CA VAL A 100 67.560 -0.517 -6.135 1.00 0.00 C ATOM 1435 C VAL A 100 68.540 -0.275 -7.278 1.00 0.00 C ATOM 1436 O VAL A 100 68.273 -0.632 -8.426 1.00 0.00 O ATOM 1437 CB VAL A 100 67.656 -1.968 -5.655 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.205 -2.904 -6.778 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.095 -2.301 -5.252 1.00 0.00 C ATOM 0 H VAL A 100 65.571 -1.041 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 100 67.821 0.153 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 100 67.011 -2.099 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.272 -3.938 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.174 -2.677 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.847 -2.765 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.148 -3.336 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.754 -2.166 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.410 -1.638 -4.446 1.00 0.00 H new ATOM 1449 N VAL A 101 69.690 0.309 -6.951 1.00 0.00 N ATOM 1450 CA VAL A 101 70.730 0.583 -7.939 1.00 0.00 C ATOM 1451 C VAL A 101 72.069 0.017 -7.473 1.00 0.00 C ATOM 1452 O VAL A 101 72.234 -0.338 -6.306 1.00 0.00 O ATOM 1453 CB VAL A 101 70.844 2.097 -8.145 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.069 2.407 -9.012 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.573 2.645 -8.808 1.00 0.00 C ATOM 0 H VAL A 101 69.926 0.603 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 101 70.464 0.105 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 101 70.960 2.579 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.149 3.484 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 101 72.968 2.040 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.963 1.917 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.670 3.722 -8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.432 2.165 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.712 2.438 -8.172 1.00 0.00 H new ATOM 1465 N PHE A 102 72.989 -0.151 -8.419 1.00 0.00 N ATOM 1466 CA PHE A 102 74.310 -0.705 -8.134 1.00 0.00 C ATOM 1467 C PHE A 102 75.400 0.207 -8.690 1.00 0.00 C ATOM 1468 O PHE A 102 75.151 1.021 -9.579 1.00 0.00 O ATOM 1469 CB PHE A 102 74.423 -2.097 -8.764 1.00 0.00 C ATOM 1470 CG PHE A 102 73.862 -3.140 -7.826 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.479 -3.232 -7.627 1.00 0.00 C ATOM 1472 CD2 PHE A 102 74.730 -3.918 -7.051 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.963 -4.172 -6.728 1.00 0.00 C ATOM 1474 CE2 PHE A 102 74.214 -4.872 -6.166 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.829 -5.016 -6.021 1.00 0.00 C ATOM 0 H PHE A 102 72.842 0.091 -9.399 1.00 0.00 H new ATOM 0 HA PHE A 102 74.440 -0.781 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 102 73.884 -2.121 -9.711 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.467 -2.320 -8.986 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.811 -2.578 -8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 102 75.798 -3.782 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 102 70.896 -4.247 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 102 74.884 -5.497 -5.595 1.00 0.00 H new ATOM 0 HZ PHE A 102 72.429 -5.776 -5.366 1.00 0.00 H new ATOM 1485 N GLY A 103 76.602 0.090 -8.130 1.00 0.00 N ATOM 1486 CA GLY A 103 77.738 0.892 -8.571 1.00 0.00 C ATOM 1487 C GLY A 103 78.794 0.038 -9.264 1.00 0.00 C ATOM 1488 O GLY A 103 78.679 -1.185 -9.330 1.00 0.00 O ATOM 0 H GLY A 103 76.813 -0.554 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.393 1.669 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.183 1.396 -7.713 1.00 0.00 H new ATOM 1492 N GLY A 104 79.817 0.704 -9.790 1.00 0.00 N ATOM 1493 CA GLY A 104 80.882 0.019 -10.511 1.00 0.00 C ATOM 1494 C GLY A 104 81.614 -0.959 -9.598 1.00 0.00 C ATOM 1495 O GLY A 104 82.105 -1.996 -10.045 1.00 0.00 O ATOM 0 H GLY A 104 79.930 1.716 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.464 -0.516 -11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.587 0.750 -10.908 1.00 0.00 H new ATOM 1499 N GLY A 105 81.693 -0.619 -8.316 1.00 0.00 N ATOM 1500 CA GLY A 105 82.379 -1.463 -7.343 1.00 0.00 C ATOM 1501 C GLY A 105 83.800 -0.965 -7.101 1.00 0.00 C ATOM 1502 O GLY A 105 84.259 -0.027 -7.754 1.00 0.00 O ATOM 0 H GLY A 105 81.291 0.234 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.825 -1.467 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.406 -2.492 -7.702 1.00 0.00 H new ATOM 1506 N THR A 106 84.506 -1.617 -6.182 1.00 0.00 N ATOM 1507 CA THR A 106 85.891 -1.257 -5.893 1.00 0.00 C ATOM 1508 C THR A 106 86.675 -2.481 -5.428 1.00 0.00 C ATOM 1509 O THR A 106 86.157 -3.309 -4.679 1.00 0.00 O ATOM 1510 CB THR A 106 85.920 -0.179 -4.805 1.00 0.00 C ATOM 1511 OG1 THR A 106 84.861 0.740 -5.025 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.254 0.570 -4.843 1.00 0.00 C ATOM 0 H THR A 106 84.145 -2.393 -5.627 1.00 0.00 H new ATOM 0 HA THR A 106 86.354 -0.873 -6.802 1.00 0.00 H new ATOM 0 HB THR A 106 85.803 -0.653 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 106 84.510 1.047 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.265 1.334 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.070 -0.132 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.379 1.042 -5.818 1.00 0.00 H new ATOM 1520 N LYS A 107 87.912 -2.608 -5.900 1.00 0.00 N ATOM 1521 CA LYS A 107 88.767 -3.728 -5.519 1.00 0.00 C ATOM 1522 C LYS A 107 89.746 -3.307 -4.428 1.00 0.00 C ATOM 1523 O LYS A 107 90.733 -2.624 -4.697 1.00 0.00 O ATOM 1524 CB LYS A 107 89.549 -4.227 -6.733 1.00 0.00 C ATOM 1525 CG LYS A 107 90.407 -5.424 -6.318 1.00 0.00 C ATOM 1526 CD LYS A 107 91.034 -6.065 -7.557 1.00 0.00 C ATOM 1527 CE LYS A 107 91.882 -7.273 -7.151 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.990 -8.205 -8.307 1.00 0.00 N ATOM 0 H LYS A 107 88.345 -1.949 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 107 88.133 -4.529 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.863 -4.514 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.180 -3.431 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.188 -5.102 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.796 -6.155 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.252 -6.376 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.653 -5.336 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.874 -6.947 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.429 -7.781 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 92.565 -9.028 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.040 -8.523 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.440 -7.716 -9.107 1.00 0.00 H new ATOM 1542 N LEU A 108 89.498 -3.767 -3.206 1.00 0.00 N ATOM 1543 CA LEU A 108 90.398 -3.485 -2.095 1.00 0.00 C ATOM 1544 C LEU A 108 91.465 -4.568 -1.988 1.00 0.00 C ATOM 1545 O LEU A 108 91.164 -5.726 -1.697 1.00 0.00 O ATOM 1546 CB LEU A 108 89.592 -3.421 -0.794 1.00 0.00 C ATOM 1547 CG LEU A 108 90.463 -2.904 0.354 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.623 -1.386 0.254 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.808 -3.247 1.694 1.00 0.00 C ATOM 0 H LEU A 108 88.686 -4.334 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 108 90.890 -2.528 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.729 -2.768 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.208 -4.411 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 108 91.443 -3.377 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.244 -1.031 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.096 -1.132 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.643 -0.912 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.431 -2.877 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.825 -2.780 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.701 -4.328 1.781 1.00 0.00 H new ATOM 1561 N THR A 109 92.722 -4.166 -2.154 1.00 0.00 N ATOM 1562 CA THR A 109 93.843 -5.097 -2.058 1.00 0.00 C ATOM 1563 C THR A 109 94.695 -4.779 -0.834 1.00 0.00 C ATOM 1564 O THR A 109 95.286 -3.703 -0.742 1.00 0.00 O ATOM 1565 CB THR A 109 94.696 -5.004 -3.324 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.938 -5.452 -4.437 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.941 -5.882 -3.171 1.00 0.00 C ATOM 0 H THR A 109 92.990 -3.203 -2.355 1.00 0.00 H new ATOM 0 HA THR A 109 93.453 -6.110 -1.957 1.00 0.00 H new ATOM 0 HB THR A 109 95.000 -3.969 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.483 -5.391 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.547 -5.814 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.524 -5.540 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.639 -6.917 -3.014 1.00 0.00 H new ATOM 1575 N VAL A 110 94.860 -5.772 0.034 1.00 0.00 N ATOM 1576 CA VAL A 110 95.642 -5.610 1.256 1.00 0.00 C ATOM 1577 C VAL A 110 96.953 -6.379 1.139 1.00 0.00 C ATOM 1578 O VAL A 110 97.001 -7.441 0.517 1.00 0.00 O ATOM 1579 CB VAL A 110 94.861 -6.140 2.460 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.653 -5.877 3.742 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.504 -5.438 2.547 1.00 0.00 C ATOM 0 H VAL A 110 94.460 -6.703 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 110 95.847 -4.549 1.396 1.00 0.00 H new ATOM 0 HB VAL A 110 94.706 -7.212 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.095 -6.255 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.617 -6.383 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.813 -4.805 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.952 -5.819 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.656 -4.365 2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.936 -5.630 1.637 1.00 0.00 H new ATOM 1591 N LEU A 111 98.040 -5.769 1.605 1.00 0.00 N ATOM 1592 CA LEU A 111 99.373 -6.356 1.486 1.00 0.00 C ATOM 1593 C LEU A 111 100.023 -6.426 2.865 1.00 0.00 C ATOM 1594 O LEU A 111 101.152 -6.862 2.964 1.00 0.00 O ATOM 1595 CB LEU A 111 100.242 -5.547 0.511 1.00 0.00 C ATOM 1596 CG LEU A 111 99.596 -4.190 0.209 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.415 -3.361 1.490 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.453 -3.434 -0.811 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.385 -5.999 3.841 1.00 0.00 O ATOM 0 H LEU A 111 98.023 -4.862 2.072 1.00 0.00 H new ATOM 0 HA LEU A 111 99.282 -7.366 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 111 101.233 -5.397 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.376 -6.106 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 111 98.604 -4.360 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.955 -2.405 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.775 -3.902 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.387 -3.187 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.995 -2.469 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.452 -3.279 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.523 -4.016 -1.730 1.00 0.00 H new TER 1611 LEU A 111