USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=42 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 71 SER OG : rot -41:sc= 0.179 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 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 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 66 SER OG : rot 78:sc= 0.897 USER MOD Set 3.3: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 GLN : amide:sc= -6.75! C(o=-6.7!,f=-18!) USER MOD Set 4.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 28 SER OG : rot -52:sc= 1.21 USER MOD Set 5.2: A 72 ASN : amide:sc= -0.977! K(o=0.23!,f=-3.1) USER MOD Set 6.1: A 6 GLN : amide:sc= -7.71! C(o=-7.8!,f=-7.7!) USER MOD Set 6.2: A 106 THR OG1 : rot -70:sc= -0.0425 USER MOD Single : A 1 ASN : amide:sc= -0.0444 X(o=-0.044,f=-0.36) USER MOD Single : A 1 ASN N :NH3+ 166:sc= 0.00383 (180deg=0) USER MOD Single : A 3 MET CE :methyl -154:sc= 0 (180deg=-0.00159) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc=-0.00912 X(o=-0.0091,f=-0.01) USER MOD Single : A 9 SER OG : rot -51:sc= 0.0272! USER MOD Single : A 11 SER OG : rot 7:sc= 0.669 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 26 SER OG : rot 143:sc= 0.22! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.705 X(o=-0.7,f=-1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.21 K(o=-3.2,f=-5.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 92:sc= 0.122 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 43:sc= 0.513 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.01 F(o=-1.9,f=-1) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,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 75 SER OG : rot 180:sc= -0.184 USER MOD Single : A 79 SER OG : rot 16:sc= 0.59 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc=-0.00886 (180deg=-0.584) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -6.41! C(o=-6.4!,f=-6.5!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0675 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 : amide:sc= -0.0538 K(o=-0.054,f=-2.2!) USER MOD Single : A 99 HIS : no HD1:sc= -0.013 K(o=-0.013,f=-1.3) 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 68.798 4.895 -17.105 1.00 0.00 N ATOM 2 CA ASN A 1 68.979 4.601 -15.656 1.00 0.00 C ATOM 3 C ASN A 1 70.280 5.240 -15.179 1.00 0.00 C ATOM 4 O ASN A 1 71.244 5.346 -15.938 1.00 0.00 O ATOM 5 CB ASN A 1 69.006 3.083 -15.449 1.00 0.00 C ATOM 6 CG ASN A 1 68.412 2.714 -14.092 1.00 0.00 C ATOM 7 OD1 ASN A 1 67.306 3.139 -13.760 1.00 0.00 O ATOM 8 ND2 ASN A 1 69.083 1.944 -13.281 1.00 0.00 N ATOM 0 H1 ASN A 1 68.056 4.279 -17.494 1.00 0.00 H new ATOM 0 H2 ASN A 1 68.521 5.890 -17.225 1.00 0.00 H new ATOM 0 H3 ASN A 1 69.691 4.721 -17.609 1.00 0.00 H new ATOM 0 HA ASN A 1 68.153 5.014 -15.077 1.00 0.00 H new ATOM 0 HB2 ASN A 1 68.444 2.592 -16.243 1.00 0.00 H new ATOM 0 HB3 ASN A 1 70.032 2.720 -15.514 1.00 0.00 H new ATOM 0 HD21 ASN A 1 68.691 1.695 -12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 1 70.000 1.591 -13.555 1.00 0.00 H new ATOM 17 N PHE A 2 70.309 5.642 -13.913 1.00 0.00 N ATOM 18 CA PHE A 2 71.498 6.262 -13.342 1.00 0.00 C ATOM 19 C PHE A 2 72.509 5.200 -12.922 1.00 0.00 C ATOM 20 O PHE A 2 72.260 4.003 -13.064 1.00 0.00 O ATOM 21 CB PHE A 2 71.111 7.099 -12.123 1.00 0.00 C ATOM 22 CG PHE A 2 69.978 8.028 -12.490 1.00 0.00 C ATOM 23 CD1 PHE A 2 70.174 9.012 -13.466 1.00 0.00 C ATOM 24 CD2 PHE A 2 68.745 7.931 -11.833 1.00 0.00 C ATOM 25 CE1 PHE A 2 69.130 9.878 -13.809 1.00 0.00 C ATOM 26 CE2 PHE A 2 67.700 8.796 -12.176 1.00 0.00 C ATOM 27 CZ PHE A 2 67.898 9.781 -13.152 1.00 0.00 C ATOM 0 H PHE A 2 69.526 5.550 -13.266 1.00 0.00 H new ATOM 0 HA PHE A 2 71.950 6.901 -14.100 1.00 0.00 H new ATOM 0 HB2 PHE A 2 70.810 6.448 -11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 2 71.969 7.674 -11.776 1.00 0.00 H new ATOM 0 HD1 PHE A 2 71.133 9.103 -13.955 1.00 0.00 H new ATOM 0 HD2 PHE A 2 68.601 7.189 -11.062 1.00 0.00 H new ATOM 0 HE1 PHE A 2 69.275 10.620 -14.580 1.00 0.00 H new ATOM 0 HE2 PHE A 2 66.741 8.704 -11.688 1.00 0.00 H new ATOM 0 HZ PHE A 2 67.100 10.466 -13.398 1.00 0.00 H new ATOM 37 N MET A 3 73.659 5.643 -12.421 1.00 0.00 N ATOM 38 CA MET A 3 74.695 4.716 -11.981 1.00 0.00 C ATOM 39 C MET A 3 75.588 5.384 -10.938 1.00 0.00 C ATOM 40 O MET A 3 75.489 6.589 -10.706 1.00 0.00 O ATOM 41 CB MET A 3 75.520 4.267 -13.195 1.00 0.00 C ATOM 42 CG MET A 3 75.167 2.833 -13.602 1.00 0.00 C ATOM 43 SD MET A 3 76.334 2.256 -14.860 1.00 0.00 S ATOM 44 CE MET A 3 77.602 1.637 -13.727 1.00 0.00 C ATOM 0 H MET A 3 73.895 6.629 -12.311 1.00 0.00 H new ATOM 0 HA MET A 3 74.234 3.841 -11.522 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.338 4.941 -14.032 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.582 4.331 -12.960 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.201 2.178 -12.731 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.149 2.794 -13.990 1.00 0.00 H new ATOM 0 HE1 MET A 3 78.574 1.660 -14.221 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.632 2.265 -12.837 1.00 0.00 H new ATOM 0 HE3 MET A 3 77.365 0.612 -13.440 1.00 0.00 H new ATOM 54 N LEU A 4 76.478 4.604 -10.329 1.00 0.00 N ATOM 55 CA LEU A 4 77.407 5.120 -9.332 1.00 0.00 C ATOM 56 C LEU A 4 78.840 4.988 -9.836 1.00 0.00 C ATOM 57 O LEU A 4 79.207 3.979 -10.438 1.00 0.00 O ATOM 58 CB LEU A 4 77.242 4.316 -8.039 1.00 0.00 C ATOM 59 CG LEU A 4 75.882 4.610 -7.393 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.478 3.486 -6.426 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.910 5.968 -6.679 1.00 0.00 C ATOM 0 H LEU A 4 76.574 3.605 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 4 77.195 6.173 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.327 3.251 -8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.043 4.566 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 4 75.131 4.655 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.510 3.719 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.410 2.544 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.227 3.397 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.937 6.161 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.675 5.955 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.137 6.753 -7.400 1.00 0.00 H new ATOM 73 N THR A 5 79.679 5.953 -9.474 1.00 0.00 N ATOM 74 CA THR A 5 81.086 5.939 -9.867 1.00 0.00 C ATOM 75 C THR A 5 81.969 5.862 -8.626 1.00 0.00 C ATOM 76 O THR A 5 81.681 6.495 -7.610 1.00 0.00 O ATOM 77 CB THR A 5 81.426 7.216 -10.641 1.00 0.00 C ATOM 78 OG1 THR A 5 82.838 7.357 -10.707 1.00 0.00 O ATOM 79 CG2 THR A 5 80.834 8.439 -9.935 1.00 0.00 C ATOM 0 H THR A 5 79.409 6.757 -8.908 1.00 0.00 H new ATOM 0 HA THR A 5 81.264 5.070 -10.500 1.00 0.00 H new ATOM 0 HB THR A 5 81.006 7.146 -11.644 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.063 8.172 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 5 81.084 9.339 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 5 79.750 8.336 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 5 81.246 8.513 -8.929 1.00 0.00 H new ATOM 87 N GLN A 6 83.020 5.049 -8.692 1.00 0.00 N ATOM 88 CA GLN A 6 83.893 4.848 -7.540 1.00 0.00 C ATOM 89 C GLN A 6 85.326 4.637 -8.023 1.00 0.00 C ATOM 90 O GLN A 6 85.559 4.565 -9.230 1.00 0.00 O ATOM 91 CB GLN A 6 83.406 3.654 -6.707 1.00 0.00 C ATOM 92 CG GLN A 6 81.920 3.385 -6.962 1.00 0.00 C ATOM 93 CD GLN A 6 81.478 2.152 -6.183 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.445 1.559 -6.494 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.169 1.765 -5.145 1.00 0.00 N ATOM 0 H GLN A 6 83.286 4.523 -9.524 1.00 0.00 H new ATOM 0 HA GLN A 6 83.867 5.731 -6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.989 2.768 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.568 3.853 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.328 4.249 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.746 3.235 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.025 2.258 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.853 0.970 -4.590 1.00 0.00 H new ATOM 104 N PRO A 7 86.266 4.429 -7.139 1.00 0.00 N ATOM 105 CA PRO A 7 87.679 4.175 -7.538 1.00 0.00 C ATOM 106 C PRO A 7 87.854 2.778 -8.130 1.00 0.00 C ATOM 107 O PRO A 7 87.148 1.841 -7.756 1.00 0.00 O ATOM 108 CB PRO A 7 88.494 4.347 -6.248 1.00 0.00 C ATOM 109 CG PRO A 7 87.539 4.772 -5.176 1.00 0.00 C ATOM 110 CD PRO A 7 86.123 4.472 -5.674 1.00 0.00 C ATOM 0 HA PRO A 7 88.008 4.861 -8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.987 3.413 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.277 5.093 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.741 4.236 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.652 5.835 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.753 3.525 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.418 5.243 -5.364 1.00 0.00 H new ATOM 118 N HIS A 8 88.851 2.632 -8.998 1.00 0.00 N ATOM 119 CA HIS A 8 89.132 1.345 -9.623 1.00 0.00 C ATOM 120 C HIS A 8 89.725 0.363 -8.617 1.00 0.00 C ATOM 121 O HIS A 8 89.383 -0.819 -8.612 1.00 0.00 O ATOM 122 CB HIS A 8 90.108 1.541 -10.786 1.00 0.00 C ATOM 123 CG HIS A 8 89.439 2.333 -11.877 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.952 3.536 -12.334 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.252 2.153 -12.546 1.00 0.00 C ATOM 126 CE1 HIS A 8 89.116 4.003 -13.276 1.00 0.00 C ATOM 127 NE2 HIS A 8 88.053 3.210 -13.432 1.00 0.00 N ATOM 0 H HIS A 8 89.475 3.386 -9.283 1.00 0.00 H new ATOM 0 HA HIS A 8 88.194 0.932 -9.993 1.00 0.00 H new ATOM 0 HB2 HIS A 8 91.002 2.061 -10.441 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.431 0.573 -11.170 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.578 1.321 -12.407 1.00 0.00 H new ATOM 0 HE1 HIS A 8 89.283 4.910 -13.839 1.00 0.00 H new ATOM 0 HE2 HIS A 8 87.265 3.348 -14.064 1.00 0.00 H new ATOM 135 N SER A 9 90.674 0.840 -7.817 1.00 0.00 N ATOM 136 CA SER A 9 91.323 -0.021 -6.836 1.00 0.00 C ATOM 137 C SER A 9 92.106 0.813 -5.827 1.00 0.00 C ATOM 138 O SER A 9 92.423 1.975 -6.080 1.00 0.00 O ATOM 139 CB SER A 9 92.265 -1.000 -7.540 1.00 0.00 C ATOM 140 OG SER A 9 91.672 -1.434 -8.755 1.00 0.00 O ATOM 0 H SER A 9 91.007 1.804 -7.828 1.00 0.00 H new ATOM 0 HA SER A 9 90.553 -0.581 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 93.223 -0.520 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.467 -1.855 -6.895 1.00 0.00 H new ATOM 0 HG SER A 9 90.761 -1.749 -8.580 1.00 0.00 H new ATOM 146 N VAL A 10 92.350 0.235 -4.657 1.00 0.00 N ATOM 147 CA VAL A 10 93.066 0.942 -3.603 1.00 0.00 C ATOM 148 C VAL A 10 93.533 -0.039 -2.533 1.00 0.00 C ATOM 149 O VAL A 10 92.921 -1.087 -2.330 1.00 0.00 O ATOM 150 CB VAL A 10 92.158 2.005 -2.979 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.857 1.363 -2.488 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.883 2.673 -1.808 1.00 0.00 C ATOM 0 H VAL A 10 92.065 -0.714 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 10 93.939 1.429 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 10 91.917 2.756 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.218 2.128 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.340 0.900 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.086 0.604 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.236 3.430 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.131 1.922 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.798 3.143 -2.167 1.00 0.00 H new ATOM 162 N SER A 11 94.630 0.295 -1.861 1.00 0.00 N ATOM 163 CA SER A 11 95.195 -0.581 -0.840 1.00 0.00 C ATOM 164 C SER A 11 95.664 0.231 0.362 1.00 0.00 C ATOM 165 O SER A 11 95.828 1.448 0.276 1.00 0.00 O ATOM 166 CB SER A 11 96.379 -1.361 -1.415 1.00 0.00 C ATOM 167 OG SER A 11 96.676 -2.463 -0.569 1.00 0.00 O ATOM 0 H SER A 11 95.145 1.164 -2.004 1.00 0.00 H new ATOM 0 HA SER A 11 94.420 -1.277 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.143 -1.713 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.249 -0.710 -1.502 1.00 0.00 H new ATOM 0 HG SER A 11 95.990 -2.535 0.128 1.00 0.00 H new ATOM 173 N GLU A 12 95.827 -0.444 1.496 1.00 0.00 N ATOM 174 CA GLU A 12 96.249 0.225 2.721 1.00 0.00 C ATOM 175 C GLU A 12 96.910 -0.778 3.662 1.00 0.00 C ATOM 176 O GLU A 12 96.755 -1.988 3.502 1.00 0.00 O ATOM 177 CB GLU A 12 95.029 0.880 3.381 1.00 0.00 C ATOM 178 CG GLU A 12 95.311 2.330 3.785 1.00 0.00 C ATOM 179 CD GLU A 12 96.301 2.366 4.944 1.00 0.00 C ATOM 180 OE1 GLU A 12 96.318 1.418 5.711 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.013 3.350 5.058 1.00 0.00 O ATOM 0 H GLU A 12 95.674 -1.448 1.592 1.00 0.00 H new ATOM 0 HA GLU A 12 96.981 0.999 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.185 0.852 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.741 0.307 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.713 2.881 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.383 2.823 4.074 1.00 0.00 H new ATOM 188 N SER A 13 97.660 -0.271 4.637 1.00 0.00 N ATOM 189 CA SER A 13 98.350 -1.135 5.589 1.00 0.00 C ATOM 190 C SER A 13 97.423 -1.458 6.761 1.00 0.00 C ATOM 191 O SER A 13 96.715 -0.570 7.237 1.00 0.00 O ATOM 192 CB SER A 13 99.615 -0.429 6.090 1.00 0.00 C ATOM 193 OG SER A 13 99.669 -0.460 7.508 1.00 0.00 O ATOM 0 H SER A 13 97.805 0.727 4.788 1.00 0.00 H new ATOM 0 HA SER A 13 98.632 -2.068 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.499 -0.914 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.625 0.604 5.742 1.00 0.00 H new ATOM 0 HG SER A 13 100.482 -0.007 7.814 1.00 0.00 H new ATOM 199 N PRO A 14 97.507 -2.628 7.338 1.00 0.00 N ATOM 200 CA PRO A 14 96.606 -3.000 8.465 1.00 0.00 C ATOM 201 C PRO A 14 96.787 -2.052 9.647 1.00 0.00 C ATOM 202 O PRO A 14 97.863 -1.485 9.839 1.00 0.00 O ATOM 203 CB PRO A 14 96.984 -4.443 8.830 1.00 0.00 C ATOM 204 CG PRO A 14 98.079 -4.870 7.904 1.00 0.00 C ATOM 205 CD PRO A 14 98.230 -3.801 6.818 1.00 0.00 C ATOM 0 HA PRO A 14 95.555 -2.925 8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.314 -4.502 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.121 -5.102 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.014 -4.991 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.844 -5.836 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.279 -3.569 6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.808 -4.137 5.871 1.00 0.00 H new ATOM 213 N GLY A 15 95.729 -1.874 10.433 1.00 0.00 N ATOM 214 CA GLY A 15 95.779 -0.990 11.593 1.00 0.00 C ATOM 215 C GLY A 15 95.242 0.392 11.233 1.00 0.00 C ATOM 216 O GLY A 15 94.732 1.113 12.090 1.00 0.00 O ATOM 0 H GLY A 15 94.828 -2.329 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.192 -1.415 12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 15 96.805 -0.906 11.950 1.00 0.00 H new ATOM 220 N LYS A 16 95.467 0.793 9.986 1.00 0.00 N ATOM 221 CA LYS A 16 95.023 2.098 9.506 1.00 0.00 C ATOM 222 C LYS A 16 93.545 2.043 9.130 1.00 0.00 C ATOM 223 O LYS A 16 92.815 1.149 9.555 1.00 0.00 O ATOM 224 CB LYS A 16 95.885 2.500 8.299 1.00 0.00 C ATOM 225 CG LYS A 16 96.758 3.716 8.619 1.00 0.00 C ATOM 226 CD LYS A 16 97.827 3.351 9.652 1.00 0.00 C ATOM 227 CE LYS A 16 98.933 4.407 9.635 1.00 0.00 C ATOM 228 NZ LYS A 16 99.940 4.090 10.686 1.00 0.00 N ATOM 0 H LYS A 16 95.955 0.232 9.288 1.00 0.00 H new ATOM 0 HA LYS A 16 95.139 2.845 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 16 96.518 1.662 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.241 2.725 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.233 4.080 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 16 96.137 4.527 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.382 3.290 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.244 2.369 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.410 4.433 8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 16 98.509 5.396 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 100.692 4.808 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.479 4.086 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.353 3.154 10.500 1.00 0.00 H new ATOM 242 N THR A 17 93.097 3.047 8.381 1.00 0.00 N ATOM 243 CA THR A 17 91.713 3.117 7.920 1.00 0.00 C ATOM 244 C THR A 17 91.648 3.283 6.407 1.00 0.00 C ATOM 245 O THR A 17 92.602 3.728 5.770 1.00 0.00 O ATOM 246 CB THR A 17 90.996 4.298 8.579 1.00 0.00 C ATOM 247 OG1 THR A 17 91.789 5.466 8.431 1.00 0.00 O ATOM 248 CG2 THR A 17 90.763 4.032 10.071 1.00 0.00 C ATOM 0 H THR A 17 93.678 3.829 8.078 1.00 0.00 H new ATOM 0 HA THR A 17 91.223 2.183 8.197 1.00 0.00 H new ATOM 0 HB THR A 17 90.029 4.433 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.333 6.226 8.850 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.252 4.885 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.149 3.139 10.190 1.00 0.00 H new ATOM 0 HG23 THR A 17 91.722 3.882 10.568 1.00 0.00 H new ATOM 256 N VAL A 18 90.507 2.907 5.842 1.00 0.00 N ATOM 257 CA VAL A 18 90.260 3.059 4.412 1.00 0.00 C ATOM 258 C VAL A 18 88.925 3.760 4.190 1.00 0.00 C ATOM 259 O VAL A 18 87.907 3.380 4.770 1.00 0.00 O ATOM 260 CB VAL A 18 90.278 1.676 3.755 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.550 1.703 2.410 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.726 1.238 3.523 1.00 0.00 C ATOM 0 H VAL A 18 89.731 2.491 6.357 1.00 0.00 H new ATOM 0 HA VAL A 18 91.038 3.672 3.958 1.00 0.00 H new ATOM 0 HB VAL A 18 89.772 0.975 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.576 0.710 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.514 2.005 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 18 90.041 2.414 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.738 0.253 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 18 92.223 1.956 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 92.250 1.192 4.478 1.00 0.00 H new ATOM 272 N THR A 19 88.923 4.720 3.271 1.00 0.00 N ATOM 273 CA THR A 19 87.710 5.439 2.912 1.00 0.00 C ATOM 274 C THR A 19 87.517 5.434 1.399 1.00 0.00 C ATOM 275 O THR A 19 88.309 6.020 0.661 1.00 0.00 O ATOM 276 CB THR A 19 87.807 6.866 3.457 1.00 0.00 C ATOM 277 OG1 THR A 19 87.740 6.836 4.875 1.00 0.00 O ATOM 278 CG2 THR A 19 86.656 7.706 2.904 1.00 0.00 C ATOM 0 H THR A 19 89.754 5.018 2.760 1.00 0.00 H new ATOM 0 HA THR A 19 86.841 4.949 3.351 1.00 0.00 H new ATOM 0 HB THR A 19 88.754 7.309 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 87.804 7.749 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 19 86.727 8.722 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.713 7.730 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 19 85.706 7.266 3.208 1.00 0.00 H new ATOM 286 N ILE A 20 86.418 4.838 0.945 1.00 0.00 N ATOM 287 CA ILE A 20 86.076 4.829 -0.475 1.00 0.00 C ATOM 288 C ILE A 20 84.999 5.876 -0.741 1.00 0.00 C ATOM 289 O ILE A 20 83.969 5.896 -0.068 1.00 0.00 O ATOM 290 CB ILE A 20 85.578 3.437 -0.885 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.767 2.493 -1.083 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.782 3.503 -2.192 1.00 0.00 C ATOM 293 CD1 ILE A 20 87.516 2.305 0.237 1.00 0.00 C ATOM 0 H ILE A 20 85.747 4.354 1.541 1.00 0.00 H new ATOM 0 HA ILE A 20 86.961 5.068 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 20 84.932 3.066 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.418 1.529 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 20 87.441 2.898 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.440 2.503 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.921 4.158 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.418 3.895 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 20 88.359 1.632 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 20 87.881 3.270 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 20 86.842 1.879 0.980 1.00 0.00 H new ATOM 305 N SER A 21 85.168 6.627 -1.826 1.00 0.00 N ATOM 306 CA SER A 21 84.190 7.638 -2.214 1.00 0.00 C ATOM 307 C SER A 21 83.307 7.116 -3.345 1.00 0.00 C ATOM 308 O SER A 21 83.810 6.619 -4.353 1.00 0.00 O ATOM 309 CB SER A 21 84.929 8.899 -2.670 1.00 0.00 C ATOM 310 OG SER A 21 84.009 9.805 -3.258 1.00 0.00 O ATOM 0 H SER A 21 85.971 6.555 -2.451 1.00 0.00 H new ATOM 0 HA SER A 21 83.555 7.871 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.425 9.369 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.706 8.637 -3.388 1.00 0.00 H new ATOM 0 HG SER A 21 84.484 10.612 -3.548 1.00 0.00 H new ATOM 316 N CYS A 22 81.992 7.238 -3.179 1.00 0.00 N ATOM 317 CA CYS A 22 81.023 6.776 -4.174 1.00 0.00 C ATOM 318 C CYS A 22 80.128 7.961 -4.545 1.00 0.00 C ATOM 319 O CYS A 22 79.461 8.525 -3.677 1.00 0.00 O ATOM 320 CB CYS A 22 80.193 5.612 -3.598 1.00 0.00 C ATOM 321 SG CYS A 22 80.893 3.984 -4.005 1.00 0.00 S ATOM 0 H CYS A 22 81.567 7.659 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 22 81.530 6.408 -5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.131 5.716 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.175 5.672 -3.982 1.00 0.00 H new ATOM 326 N THR A 23 80.155 8.392 -5.807 1.00 0.00 N ATOM 327 CA THR A 23 79.319 9.505 -6.264 1.00 0.00 C ATOM 328 C THR A 23 78.266 9.018 -7.255 1.00 0.00 C ATOM 329 O THR A 23 78.555 8.215 -8.141 1.00 0.00 O ATOM 330 CB THR A 23 80.162 10.603 -6.923 1.00 0.00 C ATOM 331 OG1 THR A 23 81.253 10.944 -6.082 1.00 0.00 O ATOM 332 CG2 THR A 23 79.300 11.846 -7.159 1.00 0.00 C ATOM 0 H THR A 23 80.747 7.987 -6.532 1.00 0.00 H new ATOM 0 HA THR A 23 78.826 9.920 -5.385 1.00 0.00 H new ATOM 0 HB THR A 23 80.540 10.234 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.789 11.645 -6.509 1.00 0.00 H new ATOM 0 HG21 THR A 23 79.903 12.624 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.465 11.591 -7.812 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.917 12.209 -6.206 1.00 0.00 H new ATOM 340 N GLY A 24 77.036 9.499 -7.096 1.00 0.00 N ATOM 341 CA GLY A 24 75.923 9.051 -7.927 1.00 0.00 C ATOM 342 C GLY A 24 75.551 10.108 -8.958 1.00 0.00 C ATOM 343 O GLY A 24 75.800 11.298 -8.762 1.00 0.00 O ATOM 0 H GLY A 24 76.785 10.200 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.192 8.124 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.060 8.832 -7.298 1.00 0.00 H new ATOM 347 N SER A 25 74.970 9.658 -10.066 1.00 0.00 N ATOM 348 CA SER A 25 74.558 10.559 -11.137 1.00 0.00 C ATOM 349 C SER A 25 73.062 10.839 -11.036 1.00 0.00 C ATOM 350 O SER A 25 72.490 11.521 -11.885 1.00 0.00 O ATOM 351 CB SER A 25 74.883 9.922 -12.493 1.00 0.00 C ATOM 352 OG SER A 25 73.685 9.603 -13.186 1.00 0.00 O ATOM 0 H SER A 25 74.774 8.673 -10.246 1.00 0.00 H new ATOM 0 HA SER A 25 75.098 11.501 -11.044 1.00 0.00 H new ATOM 0 HB2 SER A 25 75.485 10.607 -13.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.478 9.020 -12.346 1.00 0.00 H new ATOM 0 HG SER A 25 73.905 9.198 -14.051 1.00 0.00 H new ATOM 358 N SER A 26 72.430 10.289 -10.003 1.00 0.00 N ATOM 359 CA SER A 26 71.000 10.481 -9.785 1.00 0.00 C ATOM 360 C SER A 26 70.756 11.609 -8.786 1.00 0.00 C ATOM 361 O SER A 26 70.809 12.786 -9.144 1.00 0.00 O ATOM 362 CB SER A 26 70.382 9.186 -9.255 1.00 0.00 C ATOM 363 OG SER A 26 70.923 8.892 -7.975 1.00 0.00 O ATOM 0 H SER A 26 72.887 9.705 -9.302 1.00 0.00 H new ATOM 0 HA SER A 26 70.536 10.748 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 26 69.299 9.288 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 26 70.584 8.366 -9.944 1.00 0.00 H new ATOM 0 HG SER A 26 70.224 8.510 -7.404 1.00 0.00 H new ATOM 369 N GLY A 27 70.375 11.243 -7.565 1.00 0.00 N ATOM 370 CA GLY A 27 70.076 12.220 -6.522 1.00 0.00 C ATOM 371 C GLY A 27 71.185 12.254 -5.476 1.00 0.00 C ATOM 372 O GLY A 27 72.223 11.612 -5.632 1.00 0.00 O ATOM 0 H GLY A 27 70.266 10.272 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.959 13.208 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.128 11.971 -6.045 1.00 0.00 H new ATOM 376 N SER A 28 70.949 13.006 -4.405 1.00 0.00 N ATOM 377 CA SER A 28 71.910 13.090 -3.312 1.00 0.00 C ATOM 378 C SER A 28 71.790 11.885 -2.385 1.00 0.00 C ATOM 379 O SER A 28 70.697 11.509 -1.965 1.00 0.00 O ATOM 380 CB SER A 28 71.683 14.377 -2.518 1.00 0.00 C ATOM 381 OG SER A 28 71.529 15.466 -3.417 1.00 0.00 O ATOM 0 H SER A 28 70.105 13.563 -4.272 1.00 0.00 H new ATOM 0 HA SER A 28 72.913 13.097 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.796 14.279 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.525 14.559 -1.850 1.00 0.00 H new ATOM 0 HG SER A 28 72.279 15.478 -4.048 1.00 0.00 H new ATOM 387 N ILE A 29 72.941 11.337 -2.010 1.00 0.00 N ATOM 388 CA ILE A 29 72.986 10.204 -1.094 1.00 0.00 C ATOM 389 C ILE A 29 72.465 10.584 0.287 1.00 0.00 C ATOM 390 O ILE A 29 72.421 9.750 1.192 1.00 0.00 O ATOM 391 CB ILE A 29 74.421 9.695 -0.942 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.339 10.765 -0.341 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.948 9.253 -2.310 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.394 12.028 -1.203 1.00 0.00 C ATOM 0 H ILE A 29 73.855 11.660 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 29 72.352 9.425 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 29 74.415 8.848 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 29 74.988 11.024 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.344 10.359 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.970 8.890 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.317 8.455 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.932 10.099 -2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 29 76.056 12.758 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.771 11.776 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.394 12.451 -1.292 1.00 0.00 H new ATOM 406 N ALA A 30 72.006 11.823 0.424 1.00 0.00 N ATOM 407 CA ALA A 30 71.427 12.286 1.680 1.00 0.00 C ATOM 408 C ALA A 30 69.907 12.309 1.574 1.00 0.00 C ATOM 409 O ALA A 30 69.200 12.265 2.581 1.00 0.00 O ATOM 410 CB ALA A 30 71.919 13.702 1.981 1.00 0.00 C ATOM 0 H ALA A 30 72.023 12.523 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 30 71.730 11.608 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 30 71.485 14.046 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 30 73.006 13.700 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.617 14.371 1.175 1.00 0.00 H new ATOM 416 N SER A 31 69.420 12.363 0.340 1.00 0.00 N ATOM 417 CA SER A 31 67.983 12.358 0.088 1.00 0.00 C ATOM 418 C SER A 31 67.446 10.931 0.046 1.00 0.00 C ATOM 419 O SER A 31 66.236 10.714 0.101 1.00 0.00 O ATOM 420 CB SER A 31 67.685 13.078 -1.228 1.00 0.00 C ATOM 421 OG SER A 31 67.748 14.482 -1.020 1.00 0.00 O ATOM 0 H SER A 31 69.997 12.411 -0.500 1.00 0.00 H new ATOM 0 HA SER A 31 67.484 12.883 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.404 12.779 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 31 66.698 12.797 -1.594 1.00 0.00 H new ATOM 0 HG SER A 31 67.559 14.946 -1.862 1.00 0.00 H new ATOM 427 N ASN A 32 68.348 9.958 -0.054 1.00 0.00 N ATOM 428 CA ASN A 32 67.954 8.555 -0.146 1.00 0.00 C ATOM 429 C ASN A 32 68.898 7.694 0.689 1.00 0.00 C ATOM 430 O ASN A 32 69.992 8.126 1.050 1.00 0.00 O ATOM 431 CB ASN A 32 67.983 8.096 -1.609 1.00 0.00 C ATOM 432 CG ASN A 32 67.746 9.279 -2.543 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.700 9.904 -3.005 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.526 9.647 -2.826 1.00 0.00 N ATOM 0 H ASN A 32 69.356 10.115 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 32 66.940 8.446 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.945 7.635 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.219 7.336 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.363 10.453 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.735 9.129 -2.443 1.00 0.00 H new ATOM 441 N TYR A 33 68.470 6.470 0.985 1.00 0.00 N ATOM 442 CA TYR A 33 69.284 5.551 1.774 1.00 0.00 C ATOM 443 C TYR A 33 70.309 4.843 0.893 1.00 0.00 C ATOM 444 O TYR A 33 70.059 4.608 -0.289 1.00 0.00 O ATOM 445 CB TYR A 33 68.381 4.509 2.435 1.00 0.00 C ATOM 446 CG TYR A 33 67.259 5.207 3.167 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.072 5.515 2.490 1.00 0.00 C ATOM 448 CD2 TYR A 33 67.391 5.515 4.526 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.038 6.183 3.158 1.00 0.00 C ATOM 450 CE2 TYR A 33 66.348 6.163 5.199 1.00 0.00 C ATOM 451 CZ TYR A 33 65.174 6.502 4.515 1.00 0.00 C ATOM 452 OH TYR A 33 64.145 7.133 5.185 1.00 0.00 O ATOM 0 H TYR A 33 67.569 6.093 0.692 1.00 0.00 H new ATOM 0 HA TYR A 33 69.813 6.124 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.974 3.835 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.959 3.899 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 33 65.954 5.237 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.296 5.253 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 33 64.137 6.452 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.449 6.402 6.247 1.00 0.00 H new ATOM 0 HH TYR A 33 64.404 7.280 6.119 1.00 0.00 H new ATOM 462 N VAL A 34 71.479 4.540 1.452 1.00 0.00 N ATOM 463 CA VAL A 34 72.536 3.869 0.700 1.00 0.00 C ATOM 464 C VAL A 34 73.031 2.656 1.481 1.00 0.00 C ATOM 465 O VAL A 34 73.188 2.714 2.701 1.00 0.00 O ATOM 466 CB VAL A 34 73.681 4.854 0.444 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.760 4.223 -0.444 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.118 6.111 -0.228 1.00 0.00 C ATOM 0 H VAL A 34 71.718 4.748 2.421 1.00 0.00 H new ATOM 0 HA VAL A 34 72.148 3.526 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 34 74.141 5.116 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.561 4.943 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.164 3.338 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.323 3.939 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.927 6.818 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.649 5.839 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.377 6.572 0.425 1.00 0.00 H new ATOM 478 N GLN A 35 73.325 1.576 0.764 1.00 0.00 N ATOM 479 CA GLN A 35 73.807 0.349 1.389 1.00 0.00 C ATOM 480 C GLN A 35 75.118 -0.079 0.740 1.00 0.00 C ATOM 481 O GLN A 35 75.425 0.328 -0.380 1.00 0.00 O ATOM 482 CB GLN A 35 72.777 -0.769 1.215 1.00 0.00 C ATOM 483 CG GLN A 35 71.380 -0.236 1.538 1.00 0.00 C ATOM 484 CD GLN A 35 70.397 -1.396 1.658 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.797 -2.559 1.600 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.123 -1.149 1.799 1.00 0.00 N ATOM 0 H GLN A 35 73.238 1.526 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 35 73.964 0.536 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.805 -1.147 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.019 -1.605 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.404 0.330 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.053 0.450 0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.793 -0.185 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.458 -1.920 1.861 1.00 0.00 H new ATOM 495 N TRP A 36 75.928 -0.827 1.483 1.00 0.00 N ATOM 496 CA TRP A 36 77.220 -1.289 0.985 1.00 0.00 C ATOM 497 C TRP A 36 77.246 -2.809 0.872 1.00 0.00 C ATOM 498 O TRP A 36 76.489 -3.511 1.543 1.00 0.00 O ATOM 499 CB TRP A 36 78.330 -0.839 1.936 1.00 0.00 C ATOM 500 CG TRP A 36 78.467 0.649 1.875 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.731 1.527 2.592 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.410 1.444 1.097 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.164 2.809 2.312 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.164 2.815 1.360 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.408 1.119 0.163 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.918 3.822 0.751 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.172 2.126 -0.439 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.953 3.473 -0.124 1.00 0.00 C ATOM 0 H TRP A 36 75.712 -1.127 2.434 1.00 0.00 H new ATOM 0 HA TRP A 36 77.378 -0.859 -0.004 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.100 -1.152 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.272 -1.313 1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.934 1.269 3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.790 3.649 2.755 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.587 0.085 -0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.704 4.861 0.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.938 1.862 -1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.580 4.239 -0.555 1.00 0.00 H new ATOM 519 N TYR A 37 78.123 -3.305 0.005 1.00 0.00 N ATOM 520 CA TYR A 37 78.227 -4.735 -0.260 1.00 0.00 C ATOM 521 C TYR A 37 79.685 -5.113 -0.499 1.00 0.00 C ATOM 522 O TYR A 37 80.500 -4.266 -0.865 1.00 0.00 O ATOM 523 CB TYR A 37 77.383 -5.098 -1.485 1.00 0.00 C ATOM 524 CG TYR A 37 75.926 -5.184 -1.100 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.140 -4.026 -1.079 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.350 -6.429 -0.820 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.778 -4.112 -0.770 1.00 0.00 C ATOM 528 CE2 TYR A 37 73.993 -6.512 -0.485 1.00 0.00 C ATOM 529 CZ TYR A 37 73.206 -5.354 -0.467 1.00 0.00 C ATOM 530 OH TYR A 37 71.875 -5.428 -0.110 1.00 0.00 O ATOM 0 H TYR A 37 78.776 -2.732 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 37 77.856 -5.287 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.518 -4.349 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.716 -6.051 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.584 -3.067 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.952 -7.325 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.168 -3.221 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.554 -7.468 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 37 71.635 -6.362 0.067 1.00 0.00 H new ATOM 540 N GLN A 38 80.025 -6.372 -0.237 1.00 0.00 N ATOM 541 CA GLN A 38 81.394 -6.851 -0.409 1.00 0.00 C ATOM 542 C GLN A 38 81.367 -8.105 -1.277 1.00 0.00 C ATOM 543 O GLN A 38 80.519 -8.974 -1.076 1.00 0.00 O ATOM 544 CB GLN A 38 81.997 -7.165 0.969 1.00 0.00 C ATOM 545 CG GLN A 38 83.179 -6.248 1.300 1.00 0.00 C ATOM 546 CD GLN A 38 84.439 -6.745 0.597 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.374 -7.678 -0.203 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.602 -6.266 0.945 1.00 0.00 N ATOM 0 H GLN A 38 79.371 -7.080 0.096 1.00 0.00 H new ATOM 0 HA GLN A 38 82.006 -6.091 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.229 -7.057 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.326 -8.204 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.957 -5.228 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.340 -6.223 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.657 -5.493 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.456 -6.665 0.554 1.00 0.00 H new ATOM 557 N GLN A 39 82.386 -8.273 -2.117 1.00 0.00 N ATOM 558 CA GLN A 39 82.469 -9.446 -2.986 1.00 0.00 C ATOM 559 C GLN A 39 83.700 -10.273 -2.627 1.00 0.00 C ATOM 560 O GLN A 39 84.819 -9.927 -3.005 1.00 0.00 O ATOM 561 CB GLN A 39 82.547 -8.992 -4.451 1.00 0.00 C ATOM 562 CG GLN A 39 81.598 -9.796 -5.349 1.00 0.00 C ATOM 563 CD GLN A 39 80.198 -9.193 -5.329 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.039 -7.992 -5.104 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.183 -9.927 -5.691 1.00 0.00 N ATOM 0 H GLN A 39 83.161 -7.617 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 39 81.581 -10.063 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.299 -7.933 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.570 -9.103 -4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.979 -9.809 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.558 -10.831 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 39 79.313 -10.921 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 39 78.259 -9.507 -5.788 1.00 0.00 H new ATOM 574 N ARG A 40 83.501 -11.330 -1.844 1.00 0.00 N ATOM 575 CA ARG A 40 84.607 -12.206 -1.471 1.00 0.00 C ATOM 576 C ARG A 40 84.796 -13.293 -2.529 1.00 0.00 C ATOM 577 O ARG A 40 83.828 -13.968 -2.881 1.00 0.00 O ATOM 578 CB ARG A 40 84.330 -12.827 -0.095 1.00 0.00 C ATOM 579 CG ARG A 40 85.070 -12.056 1.004 1.00 0.00 C ATOM 580 CD ARG A 40 84.864 -12.719 2.368 1.00 0.00 C ATOM 581 NE ARG A 40 86.001 -12.425 3.234 1.00 0.00 N ATOM 582 CZ ARG A 40 87.148 -13.086 3.110 1.00 0.00 C ATOM 583 NH1 ARG A 40 87.157 -14.292 2.613 1.00 0.00 N ATOM 584 NH2 ARG A 40 88.266 -12.530 3.489 1.00 0.00 N ATOM 0 H ARG A 40 82.595 -11.598 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 40 85.527 -11.624 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.259 -12.818 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.646 -13.870 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.134 -12.015 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 40 84.711 -11.027 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 40 83.943 -12.356 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.756 -13.797 2.247 1.00 0.00 H new ATOM 0 HE ARG A 40 85.914 -11.700 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.283 -14.729 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 40 88.038 -14.798 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 88.260 -11.588 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 89.146 -13.037 3.394 1.00 0.00 H new ATOM 598 N PRO A 41 85.995 -13.564 -2.978 1.00 0.00 N ATOM 599 CA PRO A 41 86.212 -14.636 -3.989 1.00 0.00 C ATOM 600 C PRO A 41 85.712 -15.983 -3.472 1.00 0.00 C ATOM 601 O PRO A 41 86.022 -16.376 -2.348 1.00 0.00 O ATOM 602 CB PRO A 41 87.725 -14.657 -4.251 1.00 0.00 C ATOM 603 CG PRO A 41 88.353 -13.613 -3.379 1.00 0.00 C ATOM 604 CD PRO A 41 87.241 -12.850 -2.651 1.00 0.00 C ATOM 0 HA PRO A 41 85.657 -14.445 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.138 -15.641 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.934 -14.454 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.027 -14.077 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.951 -12.928 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.414 -12.836 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.197 -11.812 -2.981 1.00 0.00 H new ATOM 612 N GLY A 42 85.048 -16.737 -4.342 1.00 0.00 N ATOM 613 CA GLY A 42 84.591 -18.073 -3.980 1.00 0.00 C ATOM 614 C GLY A 42 83.352 -18.015 -3.093 1.00 0.00 C ATOM 615 O GLY A 42 82.788 -19.048 -2.733 1.00 0.00 O ATOM 0 H GLY A 42 84.816 -16.449 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.367 -18.640 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.388 -18.604 -3.460 1.00 0.00 H new ATOM 619 N SER A 43 82.929 -16.805 -2.736 1.00 0.00 N ATOM 620 CA SER A 43 81.764 -16.619 -1.875 1.00 0.00 C ATOM 621 C SER A 43 80.829 -15.563 -2.459 1.00 0.00 C ATOM 622 O SER A 43 81.253 -14.699 -3.226 1.00 0.00 O ATOM 623 CB SER A 43 82.210 -16.193 -0.474 1.00 0.00 C ATOM 624 OG SER A 43 82.703 -17.325 0.226 1.00 0.00 O ATOM 0 H SER A 43 83.377 -15.937 -3.030 1.00 0.00 H new ATOM 0 HA SER A 43 81.228 -17.566 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 43 82.984 -15.428 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 43 81.373 -15.752 0.068 1.00 0.00 H new ATOM 0 HG SER A 43 82.991 -17.055 1.123 1.00 0.00 H new ATOM 630 N SER A 44 79.559 -15.630 -2.070 1.00 0.00 N ATOM 631 CA SER A 44 78.560 -14.702 -2.587 1.00 0.00 C ATOM 632 C SER A 44 78.791 -13.306 -2.013 1.00 0.00 C ATOM 633 O SER A 44 79.698 -13.110 -1.204 1.00 0.00 O ATOM 634 CB SER A 44 77.160 -15.218 -2.231 1.00 0.00 C ATOM 635 OG SER A 44 77.253 -16.585 -1.859 1.00 0.00 O ATOM 0 H SER A 44 79.200 -16.313 -1.403 1.00 0.00 H new ATOM 0 HA SER A 44 78.646 -14.636 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.740 -14.633 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.489 -15.104 -3.082 1.00 0.00 H new ATOM 0 HG SER A 44 77.376 -16.652 -0.889 1.00 0.00 H new ATOM 641 N PRO A 45 77.955 -12.355 -2.338 1.00 0.00 N ATOM 642 CA PRO A 45 78.055 -10.977 -1.780 1.00 0.00 C ATOM 643 C PRO A 45 77.586 -10.924 -0.327 1.00 0.00 C ATOM 644 O PRO A 45 76.600 -11.569 0.032 1.00 0.00 O ATOM 645 CB PRO A 45 77.168 -10.122 -2.697 1.00 0.00 C ATOM 646 CG PRO A 45 76.671 -11.026 -3.781 1.00 0.00 C ATOM 647 CD PRO A 45 76.827 -12.462 -3.275 1.00 0.00 C ATOM 0 HA PRO A 45 79.083 -10.617 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.336 -9.693 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.734 -9.290 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.628 -10.811 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.240 -10.877 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.923 -12.817 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.040 -13.157 -4.088 1.00 0.00 H new ATOM 655 N THR A 46 78.177 -10.026 0.456 1.00 0.00 N ATOM 656 CA THR A 46 77.776 -9.830 1.848 1.00 0.00 C ATOM 657 C THR A 46 77.530 -8.352 2.129 1.00 0.00 C ATOM 658 O THR A 46 78.323 -7.494 1.740 1.00 0.00 O ATOM 659 CB THR A 46 78.874 -10.354 2.778 1.00 0.00 C ATOM 660 OG1 THR A 46 80.144 -9.962 2.278 1.00 0.00 O ATOM 661 CG2 THR A 46 78.814 -11.881 2.863 1.00 0.00 C ATOM 0 H THR A 46 78.938 -9.420 0.150 1.00 0.00 H new ATOM 0 HA THR A 46 76.852 -10.379 2.027 1.00 0.00 H new ATOM 0 HB THR A 46 78.722 -9.936 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.847 -10.295 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.600 -12.240 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.843 -12.186 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 46 78.956 -12.307 1.870 1.00 0.00 H new ATOM 669 N THR A 47 76.410 -8.060 2.782 1.00 0.00 N ATOM 670 CA THR A 47 76.093 -6.688 3.159 1.00 0.00 C ATOM 671 C THR A 47 77.102 -6.164 4.176 1.00 0.00 C ATOM 672 O THR A 47 77.095 -6.580 5.335 1.00 0.00 O ATOM 673 CB THR A 47 74.681 -6.627 3.747 1.00 0.00 C ATOM 674 OG1 THR A 47 74.555 -7.600 4.774 1.00 0.00 O ATOM 675 CG2 THR A 47 73.651 -6.912 2.651 1.00 0.00 C ATOM 0 H THR A 47 75.711 -8.750 3.059 1.00 0.00 H new ATOM 0 HA THR A 47 76.142 -6.061 2.269 1.00 0.00 H new ATOM 0 HB THR A 47 74.505 -5.633 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 47 75.359 -7.591 5.334 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.648 -6.868 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.745 -6.167 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.826 -7.905 2.236 1.00 0.00 H new ATOM 683 N VAL A 48 77.843 -5.130 3.789 1.00 0.00 N ATOM 684 CA VAL A 48 78.822 -4.521 4.682 1.00 0.00 C ATOM 685 C VAL A 48 78.121 -3.575 5.652 1.00 0.00 C ATOM 686 O VAL A 48 78.415 -3.569 6.847 1.00 0.00 O ATOM 687 CB VAL A 48 79.869 -3.768 3.856 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.952 -3.169 4.756 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.526 -4.738 2.874 1.00 0.00 C ATOM 0 H VAL A 48 77.784 -4.698 2.867 1.00 0.00 H new ATOM 0 HA VAL A 48 79.323 -5.298 5.259 1.00 0.00 H new ATOM 0 HB VAL A 48 79.370 -2.959 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.682 -2.640 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.496 -2.473 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.450 -3.967 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.273 -4.207 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 48 81.007 -5.545 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.767 -5.154 2.211 1.00 0.00 H new ATOM 699 N ILE A 49 77.184 -2.786 5.136 1.00 0.00 N ATOM 700 CA ILE A 49 76.413 -1.867 5.967 1.00 0.00 C ATOM 701 C ILE A 49 74.974 -1.824 5.466 1.00 0.00 C ATOM 702 O ILE A 49 74.701 -2.181 4.319 1.00 0.00 O ATOM 703 CB ILE A 49 77.085 -0.487 5.948 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.131 -0.418 7.066 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.090 0.669 6.109 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.863 0.927 7.068 1.00 0.00 C ATOM 0 H ILE A 49 76.940 -2.764 4.146 1.00 0.00 H new ATOM 0 HA ILE A 49 76.388 -2.205 7.003 1.00 0.00 H new ATOM 0 HB ILE A 49 77.552 -0.371 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.645 -0.570 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.852 -1.226 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.627 1.617 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.367 0.643 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.568 0.570 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.597 0.941 7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.370 1.067 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.144 1.732 7.219 1.00 0.00 H new ATOM 718 N TYR A 50 74.128 -1.130 6.223 1.00 0.00 N ATOM 719 CA TYR A 50 72.746 -0.907 5.810 1.00 0.00 C ATOM 720 C TYR A 50 72.355 0.551 6.040 1.00 0.00 C ATOM 721 O TYR A 50 72.535 1.101 7.126 1.00 0.00 O ATOM 722 CB TYR A 50 71.832 -1.860 6.595 1.00 0.00 C ATOM 723 CG TYR A 50 71.189 -2.881 5.684 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.217 -2.471 4.764 1.00 0.00 C ATOM 725 CD2 TYR A 50 71.615 -4.215 5.703 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.616 -3.412 3.919 1.00 0.00 C ATOM 727 CE2 TYR A 50 71.024 -5.152 4.848 1.00 0.00 C ATOM 728 CZ TYR A 50 70.027 -4.749 3.952 1.00 0.00 C ATOM 729 OH TYR A 50 69.452 -5.668 3.098 1.00 0.00 O ATOM 0 H TYR A 50 74.374 -0.714 7.121 1.00 0.00 H new ATOM 0 HA TYR A 50 72.638 -1.112 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.411 -2.370 7.365 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.058 -1.287 7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.931 -1.431 4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 50 72.400 -4.521 6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 50 68.834 -3.105 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 50 71.337 -6.185 4.879 1.00 0.00 H new ATOM 0 HH TYR A 50 69.852 -6.550 3.249 1.00 0.00 H new ATOM 739 N GLU A 51 71.744 1.125 5.009 1.00 0.00 N ATOM 740 CA GLU A 51 71.202 2.480 5.068 1.00 0.00 C ATOM 741 C GLU A 51 72.295 3.491 5.394 1.00 0.00 C ATOM 742 O GLU A 51 72.016 4.605 5.836 1.00 0.00 O ATOM 743 CB GLU A 51 70.110 2.580 6.137 1.00 0.00 C ATOM 744 CG GLU A 51 68.877 1.788 5.701 1.00 0.00 C ATOM 745 CD GLU A 51 67.826 1.825 6.806 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.120 2.365 7.860 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.745 1.304 6.585 1.00 0.00 O ATOM 0 H GLU A 51 71.610 0.665 4.109 1.00 0.00 H new ATOM 0 HA GLU A 51 70.780 2.704 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.483 2.195 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.843 3.624 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.468 2.209 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.154 0.756 5.483 1.00 0.00 H new ATOM 754 N ASP A 52 73.540 3.114 5.135 1.00 0.00 N ATOM 755 CA ASP A 52 74.662 4.018 5.353 1.00 0.00 C ATOM 756 C ASP A 52 74.528 4.686 6.720 1.00 0.00 C ATOM 757 O ASP A 52 75.155 5.711 6.986 1.00 0.00 O ATOM 758 CB ASP A 52 74.740 5.058 4.229 1.00 0.00 C ATOM 759 CG ASP A 52 75.847 4.705 3.238 1.00 0.00 C ATOM 760 OD1 ASP A 52 75.894 3.561 2.816 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.641 5.579 2.929 1.00 0.00 O ATOM 0 H ASP A 52 73.798 2.195 4.776 1.00 0.00 H new ATOM 0 HA ASP A 52 75.591 3.448 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.783 5.110 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.927 6.045 4.653 1.00 0.00 H new ATOM 766 N ASN A 53 73.726 4.080 7.590 1.00 0.00 N ATOM 767 CA ASN A 53 73.481 4.624 8.922 1.00 0.00 C ATOM 768 C ASN A 53 74.090 3.721 9.988 1.00 0.00 C ATOM 769 O ASN A 53 74.564 4.195 11.020 1.00 0.00 O ATOM 770 CB ASN A 53 71.975 4.771 9.146 1.00 0.00 C ATOM 771 CG ASN A 53 71.419 5.885 8.265 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.131 6.955 8.034 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 70.287 5.791 7.792 1.00 0.00 N flip ATOM 0 H ASN A 53 73.233 3.209 7.396 1.00 0.00 H new ATOM 0 HA ASN A 53 73.951 5.604 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.472 3.831 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.776 4.992 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 53 69.728 4.957 7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 53 69.908 6.547 7.222 1.00 0.00 H new ATOM 780 N GLN A 54 74.026 2.414 9.755 1.00 0.00 N ATOM 781 CA GLN A 54 74.509 1.449 10.735 1.00 0.00 C ATOM 782 C GLN A 54 74.395 0.033 10.179 1.00 0.00 C ATOM 783 O GLN A 54 74.240 -0.157 8.972 1.00 0.00 O ATOM 784 CB GLN A 54 73.695 1.568 12.026 1.00 0.00 C ATOM 785 CG GLN A 54 72.195 1.548 11.709 1.00 0.00 C ATOM 786 CD GLN A 54 71.406 0.931 12.860 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.848 1.650 13.689 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.353 -0.367 12.976 1.00 0.00 N ATOM 0 H GLN A 54 73.647 2.001 8.903 1.00 0.00 H new ATOM 0 HA GLN A 54 75.556 1.660 10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 54 73.943 0.747 12.698 1.00 0.00 H new ATOM 0 HB3 GLN A 54 73.953 2.492 12.543 1.00 0.00 H new ATOM 0 HG2 GLN A 54 71.844 2.563 11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.019 0.979 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.816 -0.960 12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 54 70.848 -0.789 13.755 1.00 0.00 H new ATOM 797 N ARG A 55 74.428 -0.960 11.063 1.00 0.00 N ATOM 798 CA ARG A 55 74.378 -2.356 10.645 1.00 0.00 C ATOM 799 C ARG A 55 73.735 -3.202 11.741 1.00 0.00 C ATOM 800 O ARG A 55 73.828 -2.850 12.918 1.00 0.00 O ATOM 801 CB ARG A 55 75.805 -2.849 10.386 1.00 0.00 C ATOM 802 CG ARG A 55 76.683 -2.616 11.625 1.00 0.00 C ATOM 803 CD ARG A 55 78.059 -2.085 11.215 1.00 0.00 C ATOM 804 NE ARG A 55 78.517 -2.745 9.996 1.00 0.00 N ATOM 805 CZ ARG A 55 79.736 -3.266 9.887 1.00 0.00 C ATOM 806 NH1 ARG A 55 80.787 -2.514 10.069 1.00 0.00 N ATOM 807 NH2 ARG A 55 79.875 -4.536 9.623 1.00 0.00 N ATOM 0 H ARG A 55 74.489 -0.823 12.072 1.00 0.00 H new ATOM 0 HA ARG A 55 73.785 -2.445 9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.791 -3.910 10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.228 -2.325 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.197 -1.906 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.796 -3.548 12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.007 -1.008 11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.775 -2.254 12.019 1.00 0.00 H new ATOM 0 HE ARG A 55 77.881 -2.809 9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.674 -1.526 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 55 81.721 -2.914 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.051 -5.125 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.808 -4.940 9.538 1.00 0.00 H new ATOM 821 N PRO A 56 73.156 -4.327 11.413 1.00 0.00 N ATOM 822 CA PRO A 56 72.456 -5.167 12.424 1.00 0.00 C ATOM 823 C PRO A 56 73.376 -5.467 13.602 1.00 0.00 C ATOM 824 O PRO A 56 74.565 -5.722 13.418 1.00 0.00 O ATOM 825 CB PRO A 56 72.073 -6.449 11.670 1.00 0.00 C ATOM 826 CG PRO A 56 72.653 -6.325 10.297 1.00 0.00 C ATOM 827 CD PRO A 56 72.905 -4.836 10.054 1.00 0.00 C ATOM 0 HA PRO A 56 71.582 -4.671 12.845 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.465 -7.330 12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 56 70.990 -6.563 11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.581 -6.892 10.217 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.968 -6.728 9.551 1.00 0.00 H new ATOM 0 HD2 PRO A 56 73.758 -4.671 9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.046 -4.350 9.591 1.00 0.00 H new ATOM 835 N SER A 57 72.839 -5.407 14.814 1.00 0.00 N ATOM 836 CA SER A 57 73.655 -5.697 15.986 1.00 0.00 C ATOM 837 C SER A 57 74.241 -7.099 15.868 1.00 0.00 C ATOM 838 O SER A 57 73.523 -8.057 15.581 1.00 0.00 O ATOM 839 CB SER A 57 72.813 -5.593 17.260 1.00 0.00 C ATOM 840 OG SER A 57 72.716 -4.230 17.649 1.00 0.00 O ATOM 0 H SER A 57 71.867 -5.167 15.009 1.00 0.00 H new ATOM 0 HA SER A 57 74.464 -4.969 16.041 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.819 -6.005 17.087 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.267 -6.180 18.059 1.00 0.00 H new ATOM 0 HG SER A 57 72.176 -4.160 18.464 1.00 0.00 H new ATOM 846 N GLY A 58 75.505 -7.235 16.260 1.00 0.00 N ATOM 847 CA GLY A 58 76.162 -8.538 16.291 1.00 0.00 C ATOM 848 C GLY A 58 77.224 -8.644 15.201 1.00 0.00 C ATOM 849 O GLY A 58 78.309 -9.173 15.445 1.00 0.00 O ATOM 0 H GLY A 58 76.095 -6.459 16.561 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.622 -8.694 17.267 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.420 -9.326 16.158 1.00 0.00 H new ATOM 853 N VAL A 59 76.973 -8.033 14.046 1.00 0.00 N ATOM 854 CA VAL A 59 77.953 -8.063 12.966 1.00 0.00 C ATOM 855 C VAL A 59 79.096 -7.098 13.270 1.00 0.00 C ATOM 856 O VAL A 59 78.866 -6.055 13.883 1.00 0.00 O ATOM 857 CB VAL A 59 77.281 -7.676 11.646 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.045 -8.558 11.452 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.884 -6.194 11.660 1.00 0.00 C ATOM 0 H VAL A 59 76.116 -7.521 13.836 1.00 0.00 H new ATOM 0 HA VAL A 59 78.356 -9.072 12.880 1.00 0.00 H new ATOM 0 HB VAL A 59 77.976 -7.828 10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.554 -8.295 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.346 -9.605 11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.354 -8.403 12.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.408 -5.936 10.714 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.188 -6.012 12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.774 -5.580 11.797 1.00 0.00 H new ATOM 869 N PRO A 60 80.274 -7.329 12.750 1.00 0.00 N ATOM 870 CA PRO A 60 81.454 -6.479 13.082 1.00 0.00 C ATOM 871 C PRO A 60 81.183 -5.016 12.748 1.00 0.00 C ATOM 872 O PRO A 60 80.256 -4.709 12.000 1.00 0.00 O ATOM 873 CB PRO A 60 82.600 -7.043 12.228 1.00 0.00 C ATOM 874 CG PRO A 60 82.051 -8.212 11.473 1.00 0.00 C ATOM 875 CD PRO A 60 80.705 -8.578 12.103 1.00 0.00 C ATOM 0 HA PRO A 60 81.692 -6.503 14.146 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.979 -6.285 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.435 -7.349 12.858 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.926 -7.963 10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.739 -9.056 11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.988 -8.909 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.807 -9.389 12.825 1.00 0.00 H new ATOM 883 N ASP A 61 81.889 -4.119 13.430 1.00 0.00 N ATOM 884 CA ASP A 61 81.748 -2.684 13.199 1.00 0.00 C ATOM 885 C ASP A 61 83.010 -2.084 12.589 1.00 0.00 C ATOM 886 O ASP A 61 83.305 -0.907 12.795 1.00 0.00 O ATOM 887 CB ASP A 61 81.404 -1.970 14.508 1.00 0.00 C ATOM 888 CG ASP A 61 82.613 -1.953 15.436 1.00 0.00 C ATOM 889 OD1 ASP A 61 83.359 -2.919 15.423 1.00 0.00 O ATOM 890 OD2 ASP A 61 82.773 -0.976 16.149 1.00 0.00 O ATOM 0 H ASP A 61 82.568 -4.362 14.151 1.00 0.00 H new ATOM 0 HA ASP A 61 80.936 -2.542 12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.083 -0.949 14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 61 80.570 -2.473 14.996 1.00 0.00 H new ATOM 895 N ARG A 62 83.757 -2.894 11.846 1.00 0.00 N ATOM 896 CA ARG A 62 85.012 -2.436 11.261 1.00 0.00 C ATOM 897 C ARG A 62 84.761 -1.492 10.090 1.00 0.00 C ATOM 898 O ARG A 62 85.578 -0.611 9.820 1.00 0.00 O ATOM 899 CB ARG A 62 85.811 -3.637 10.752 1.00 0.00 C ATOM 900 CG ARG A 62 86.060 -4.616 11.901 1.00 0.00 C ATOM 901 CD ARG A 62 86.508 -5.961 11.326 1.00 0.00 C ATOM 902 NE ARG A 62 87.463 -5.750 10.246 1.00 0.00 N ATOM 903 CZ ARG A 62 87.900 -6.767 9.513 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.116 -7.318 8.627 1.00 0.00 N ATOM 905 NH2 ARG A 62 89.107 -7.227 9.695 1.00 0.00 N ATOM 0 H ARG A 62 83.518 -3.863 11.636 1.00 0.00 H new ATOM 0 HA ARG A 62 85.568 -1.905 12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.266 -4.134 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.761 -3.303 10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.823 -4.221 12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.152 -4.743 12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.962 -6.568 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.644 -6.513 10.956 1.00 0.00 H new ATOM 0 HE ARG A 62 87.801 -4.808 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.167 -6.967 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.452 -8.099 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 62 89.713 -6.805 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.445 -8.008 9.133 1.00 0.00 H new ATOM 919 N PHE A 63 83.558 -1.549 9.525 1.00 0.00 N ATOM 920 CA PHE A 63 83.214 -0.719 8.374 1.00 0.00 C ATOM 921 C PHE A 63 82.231 0.364 8.807 1.00 0.00 C ATOM 922 O PHE A 63 81.370 0.125 9.652 1.00 0.00 O ATOM 923 CB PHE A 63 82.604 -1.571 7.254 1.00 0.00 C ATOM 924 CG PHE A 63 83.082 -3.001 7.365 1.00 0.00 C ATOM 925 CD1 PHE A 63 84.439 -3.305 7.209 1.00 0.00 C ATOM 926 CD2 PHE A 63 82.166 -4.027 7.627 1.00 0.00 C ATOM 927 CE1 PHE A 63 84.883 -4.627 7.337 1.00 0.00 C ATOM 928 CE2 PHE A 63 82.603 -5.354 7.717 1.00 0.00 C ATOM 929 CZ PHE A 63 83.963 -5.653 7.581 1.00 0.00 C ATOM 0 H PHE A 63 82.806 -2.160 9.845 1.00 0.00 H new ATOM 0 HA PHE A 63 84.121 -0.253 7.989 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.516 -1.538 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.882 -1.161 6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 63 85.146 -2.518 6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.120 -3.794 7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 63 85.935 -4.855 7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 63 81.890 -6.147 7.891 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.303 -6.675 7.664 1.00 0.00 H new ATOM 939 N SER A 64 82.311 1.527 8.167 1.00 0.00 N ATOM 940 CA SER A 64 81.404 2.627 8.489 1.00 0.00 C ATOM 941 C SER A 64 80.864 3.276 7.219 1.00 0.00 C ATOM 942 O SER A 64 81.523 3.269 6.180 1.00 0.00 O ATOM 943 CB SER A 64 82.113 3.671 9.357 1.00 0.00 C ATOM 944 OG SER A 64 81.170 4.259 10.240 1.00 0.00 O ATOM 0 H SER A 64 82.986 1.732 7.430 1.00 0.00 H new ATOM 0 HA SER A 64 80.563 2.218 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.919 3.204 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.568 4.437 8.728 1.00 0.00 H new ATOM 0 HG SER A 64 81.618 4.927 10.800 1.00 0.00 H new ATOM 950 N GLY A 65 79.674 3.861 7.327 1.00 0.00 N ATOM 951 CA GLY A 65 79.019 4.520 6.199 1.00 0.00 C ATOM 952 C GLY A 65 78.965 6.029 6.418 1.00 0.00 C ATOM 953 O GLY A 65 78.661 6.487 7.520 1.00 0.00 O ATOM 0 H GLY A 65 79.138 3.892 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.559 4.300 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.009 4.128 6.078 1.00 0.00 H new ATOM 957 N SER A 66 79.175 6.802 5.356 1.00 0.00 N ATOM 958 CA SER A 66 79.091 8.258 5.444 1.00 0.00 C ATOM 959 C SER A 66 78.358 8.818 4.228 1.00 0.00 C ATOM 960 O SER A 66 78.583 8.384 3.099 1.00 0.00 O ATOM 961 CB SER A 66 80.501 8.851 5.544 1.00 0.00 C ATOM 962 OG SER A 66 81.386 7.870 6.063 1.00 0.00 O ATOM 0 H SER A 66 79.404 6.447 4.428 1.00 0.00 H new ATOM 0 HA SER A 66 78.530 8.532 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.840 9.180 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.494 9.729 6.190 1.00 0.00 H new ATOM 0 HG SER A 66 81.620 7.233 5.356 1.00 0.00 H new ATOM 968 N ILE A 67 77.552 9.851 4.454 1.00 0.00 N ATOM 969 CA ILE A 67 76.790 10.485 3.382 1.00 0.00 C ATOM 970 C ILE A 67 77.108 11.973 3.310 1.00 0.00 C ATOM 971 O ILE A 67 77.391 12.609 4.325 1.00 0.00 O ATOM 972 CB ILE A 67 75.293 10.294 3.638 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.930 10.833 5.025 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.968 8.801 3.563 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.422 10.732 5.278 1.00 0.00 C ATOM 0 H ILE A 67 77.409 10.269 5.374 1.00 0.00 H new ATOM 0 HA ILE A 67 77.064 10.021 2.434 1.00 0.00 H new ATOM 0 HB ILE A 67 74.718 10.837 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 67 75.469 10.272 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 67 75.247 11.872 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.904 8.651 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.225 8.422 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.543 8.265 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 67 73.193 11.122 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.887 11.314 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 67 73.112 9.689 5.217 1.00 0.00 H new ATOM 987 N ASP A 68 77.144 12.497 2.089 1.00 0.00 N ATOM 988 CA ASP A 68 77.468 13.902 1.863 1.00 0.00 C ATOM 989 C ASP A 68 76.355 14.589 1.079 1.00 0.00 C ATOM 990 O ASP A 68 76.439 14.720 -0.142 1.00 0.00 O ATOM 991 CB ASP A 68 78.765 14.000 1.060 1.00 0.00 C ATOM 992 CG ASP A 68 79.850 13.131 1.689 1.00 0.00 C ATOM 993 OD1 ASP A 68 80.469 13.585 2.638 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.006 12.001 1.256 1.00 0.00 O ATOM 0 H ASP A 68 76.952 11.968 1.238 1.00 0.00 H new ATOM 0 HA ASP A 68 77.581 14.392 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.588 13.684 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.098 15.037 1.021 1.00 0.00 H new ATOM 999 N SER A 69 75.433 15.222 1.795 1.00 0.00 N ATOM 1000 CA SER A 69 74.344 15.928 1.132 1.00 0.00 C ATOM 1001 C SER A 69 74.884 17.057 0.261 1.00 0.00 C ATOM 1002 O SER A 69 74.222 17.498 -0.679 1.00 0.00 O ATOM 1003 CB SER A 69 73.383 16.490 2.181 1.00 0.00 C ATOM 1004 OG SER A 69 73.778 17.811 2.520 1.00 0.00 O ATOM 0 H SER A 69 75.416 15.261 2.814 1.00 0.00 H new ATOM 0 HA SER A 69 73.811 15.226 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.364 16.491 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 69 73.386 15.858 3.069 1.00 0.00 H new ATOM 0 HG SER A 69 73.163 18.174 3.191 1.00 0.00 H new ATOM 1010 N SER A 70 76.069 17.554 0.606 1.00 0.00 N ATOM 1011 CA SER A 70 76.666 18.664 -0.128 1.00 0.00 C ATOM 1012 C SER A 70 77.450 18.161 -1.336 1.00 0.00 C ATOM 1013 O SER A 70 77.277 18.654 -2.451 1.00 0.00 O ATOM 1014 CB SER A 70 77.626 19.415 0.797 1.00 0.00 C ATOM 1015 OG SER A 70 77.013 19.598 2.065 1.00 0.00 O ATOM 0 H SER A 70 76.631 17.208 1.384 1.00 0.00 H new ATOM 0 HA SER A 70 75.866 19.319 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.555 18.855 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.885 20.381 0.363 1.00 0.00 H new ATOM 0 HG SER A 70 77.627 20.077 2.659 1.00 0.00 H new ATOM 1021 N SER A 71 78.334 17.196 -1.102 1.00 0.00 N ATOM 1022 CA SER A 71 79.177 16.674 -2.171 1.00 0.00 C ATOM 1023 C SER A 71 78.362 15.733 -3.051 1.00 0.00 C ATOM 1024 O SER A 71 78.861 15.187 -4.037 1.00 0.00 O ATOM 1025 CB SER A 71 80.377 15.928 -1.584 1.00 0.00 C ATOM 1026 OG SER A 71 81.348 15.723 -2.600 1.00 0.00 O ATOM 0 H SER A 71 78.484 16.763 -0.191 1.00 0.00 H new ATOM 0 HA SER A 71 79.543 17.506 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.809 16.500 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.058 14.971 -1.172 1.00 0.00 H new ATOM 0 HG SER A 71 80.900 15.474 -3.435 1.00 0.00 H new ATOM 1032 N ASN A 72 77.109 15.533 -2.660 1.00 0.00 N ATOM 1033 CA ASN A 72 76.214 14.673 -3.426 1.00 0.00 C ATOM 1034 C ASN A 72 76.869 13.319 -3.678 1.00 0.00 C ATOM 1035 O ASN A 72 76.520 12.620 -4.628 1.00 0.00 O ATOM 1036 CB ASN A 72 75.868 15.318 -4.771 1.00 0.00 C ATOM 1037 CG ASN A 72 74.695 14.585 -5.415 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.539 14.948 -5.197 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.919 13.547 -6.173 1.00 0.00 N ATOM 0 H ASN A 72 76.693 15.949 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 72 75.301 14.536 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.616 16.368 -4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.734 15.287 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.137 13.037 -6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.876 13.245 -6.355 1.00 0.00 H new ATOM 1046 N SER A 73 77.752 12.909 -2.771 1.00 0.00 N ATOM 1047 CA SER A 73 78.415 11.613 -2.885 1.00 0.00 C ATOM 1048 C SER A 73 78.440 10.887 -1.544 1.00 0.00 C ATOM 1049 O SER A 73 78.386 11.510 -0.485 1.00 0.00 O ATOM 1050 CB SER A 73 79.851 11.814 -3.374 1.00 0.00 C ATOM 1051 OG SER A 73 80.673 12.208 -2.285 1.00 0.00 O ATOM 0 H SER A 73 78.024 13.453 -1.952 1.00 0.00 H new ATOM 0 HA SER A 73 77.856 11.007 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.229 10.891 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.877 12.573 -4.156 1.00 0.00 H new ATOM 0 HG SER A 73 81.593 12.335 -2.599 1.00 0.00 H new ATOM 1057 N ALA A 74 78.542 9.562 -1.576 1.00 0.00 N ATOM 1058 CA ALA A 74 78.559 8.770 -0.350 1.00 0.00 C ATOM 1059 C ALA A 74 79.955 8.198 -0.142 1.00 0.00 C ATOM 1060 O ALA A 74 80.673 7.915 -1.101 1.00 0.00 O ATOM 1061 CB ALA A 74 77.545 7.626 -0.445 1.00 0.00 C ATOM 0 H ALA A 74 78.614 9.015 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 74 78.292 9.408 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.567 7.043 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.546 8.037 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.799 6.983 -1.288 1.00 0.00 H new ATOM 1067 N SER A 75 80.326 8.020 1.121 1.00 0.00 N ATOM 1068 CA SER A 75 81.657 7.516 1.445 1.00 0.00 C ATOM 1069 C SER A 75 81.624 6.692 2.727 1.00 0.00 C ATOM 1070 O SER A 75 80.894 7.016 3.663 1.00 0.00 O ATOM 1071 CB SER A 75 82.636 8.682 1.607 1.00 0.00 C ATOM 1072 OG SER A 75 82.407 9.643 0.587 1.00 0.00 O ATOM 0 H SER A 75 79.733 8.214 1.928 1.00 0.00 H new ATOM 0 HA SER A 75 81.989 6.877 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.511 9.141 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.662 8.318 1.554 1.00 0.00 H new ATOM 0 HG SER A 75 83.034 10.389 0.694 1.00 0.00 H new ATOM 1078 N LEU A 76 82.281 5.535 2.694 1.00 0.00 N ATOM 1079 CA LEU A 76 82.358 4.663 3.864 1.00 0.00 C ATOM 1080 C LEU A 76 83.733 4.803 4.508 1.00 0.00 C ATOM 1081 O LEU A 76 84.743 4.683 3.822 1.00 0.00 O ATOM 1082 CB LEU A 76 82.007 3.223 3.451 1.00 0.00 C ATOM 1083 CG LEU A 76 83.080 2.187 3.815 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.468 0.783 3.756 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.283 2.285 2.865 1.00 0.00 C ATOM 0 H LEU A 76 82.767 5.180 1.871 1.00 0.00 H new ATOM 0 HA LEU A 76 81.630 4.953 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.068 2.939 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 76 81.841 3.196 2.374 1.00 0.00 H new ATOM 0 HG LEU A 76 83.436 2.388 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.227 0.044 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.641 0.716 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.100 0.589 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.029 1.541 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 76 83.954 2.103 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.721 3.281 2.934 1.00 0.00 H new ATOM 1097 N THR A 77 83.774 4.891 5.836 1.00 0.00 N ATOM 1098 CA THR A 77 85.039 4.909 6.566 1.00 0.00 C ATOM 1099 C THR A 77 85.247 3.600 7.321 1.00 0.00 C ATOM 1100 O THR A 77 84.451 3.225 8.181 1.00 0.00 O ATOM 1101 CB THR A 77 85.052 6.075 7.557 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.994 7.302 6.844 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.334 6.030 8.391 1.00 0.00 C ATOM 0 H THR A 77 82.946 4.951 6.428 1.00 0.00 H new ATOM 0 HA THR A 77 85.848 5.031 5.845 1.00 0.00 H new ATOM 0 HB THR A 77 84.189 5.996 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 77 85.001 8.049 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.339 6.862 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.378 5.089 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.199 6.107 7.733 1.00 0.00 H new ATOM 1111 N ILE A 78 86.352 2.925 7.027 1.00 0.00 N ATOM 1112 CA ILE A 78 86.663 1.652 7.668 1.00 0.00 C ATOM 1113 C ILE A 78 87.769 1.826 8.703 1.00 0.00 C ATOM 1114 O ILE A 78 88.700 2.603 8.501 1.00 0.00 O ATOM 1115 CB ILE A 78 87.128 0.684 6.582 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.979 0.342 5.628 1.00 0.00 C ATOM 1117 CG2 ILE A 78 87.681 -0.599 7.209 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.529 -0.197 4.304 1.00 0.00 C ATOM 0 H ILE A 78 87.047 3.237 6.349 1.00 0.00 H new ATOM 0 HA ILE A 78 85.779 1.270 8.179 1.00 0.00 H new ATOM 0 HB ILE A 78 87.920 1.172 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.325 -0.400 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.374 1.230 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.008 -1.278 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.527 -0.355 7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 78 86.902 -1.079 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.701 -0.436 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 78 87.164 0.558 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.114 -1.097 4.493 1.00 0.00 H new ATOM 1130 N SER A 79 87.716 1.027 9.765 1.00 0.00 N ATOM 1131 CA SER A 79 88.730 1.075 10.814 1.00 0.00 C ATOM 1132 C SER A 79 89.092 -0.331 11.281 1.00 0.00 C ATOM 1133 O SER A 79 88.215 -1.134 11.600 1.00 0.00 O ATOM 1134 CB SER A 79 88.209 1.891 11.999 1.00 0.00 C ATOM 1135 OG SER A 79 87.150 1.183 12.624 1.00 0.00 O ATOM 0 H SER A 79 86.981 0.338 9.922 1.00 0.00 H new ATOM 0 HA SER A 79 89.624 1.548 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 79 89.013 2.072 12.713 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.860 2.866 11.659 1.00 0.00 H new ATOM 0 HG SER A 79 87.166 0.247 12.333 1.00 0.00 H new ATOM 1141 N GLY A 80 90.390 -0.604 11.360 1.00 0.00 N ATOM 1142 CA GLY A 80 90.865 -1.908 11.809 1.00 0.00 C ATOM 1143 C GLY A 80 90.763 -2.943 10.694 1.00 0.00 C ATOM 1144 O GLY A 80 90.318 -4.068 10.921 1.00 0.00 O ATOM 0 H GLY A 80 91.129 0.057 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 80 91.900 -1.827 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.280 -2.236 12.668 1.00 0.00 H new ATOM 1148 N LEU A 81 91.114 -2.539 9.477 1.00 0.00 N ATOM 1149 CA LEU A 81 91.050 -3.449 8.340 1.00 0.00 C ATOM 1150 C LEU A 81 92.078 -4.567 8.478 1.00 0.00 C ATOM 1151 O LEU A 81 93.159 -4.353 9.028 1.00 0.00 O ATOM 1152 CB LEU A 81 91.265 -2.693 7.027 1.00 0.00 C ATOM 1153 CG LEU A 81 92.680 -2.104 6.948 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.951 -1.595 5.530 1.00 0.00 C ATOM 1155 CD2 LEU A 81 92.847 -0.957 7.952 1.00 0.00 C ATOM 0 H LEU A 81 91.442 -1.599 9.255 1.00 0.00 H new ATOM 0 HA LEU A 81 90.056 -3.895 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.102 -3.367 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.530 -1.892 6.941 1.00 0.00 H new ATOM 0 HG LEU A 81 93.396 -2.888 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.957 -1.178 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.865 -2.421 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.225 -0.823 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 81 93.857 -0.554 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.126 -0.171 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.677 -1.330 8.962 1.00 0.00 H new ATOM 1167 N LYS A 82 91.825 -5.680 7.793 1.00 0.00 N ATOM 1168 CA LYS A 82 92.775 -6.786 7.748 1.00 0.00 C ATOM 1169 C LYS A 82 92.603 -7.591 6.464 1.00 0.00 C ATOM 1170 O LYS A 82 91.715 -7.314 5.658 1.00 0.00 O ATOM 1171 CB LYS A 82 92.569 -7.693 8.964 1.00 0.00 C ATOM 1172 CG LYS A 82 93.259 -7.094 10.192 1.00 0.00 C ATOM 1173 CD LYS A 82 93.143 -8.066 11.368 1.00 0.00 C ATOM 1174 CE LYS A 82 94.121 -7.647 12.467 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.060 -6.170 12.652 1.00 0.00 N ATOM 0 H LYS A 82 90.969 -5.839 7.261 1.00 0.00 H new ATOM 0 HA LYS A 82 93.786 -6.379 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.504 -7.815 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.971 -8.685 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.308 -6.896 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.801 -6.139 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.124 -8.068 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.362 -9.082 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.873 -8.151 13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.134 -7.949 12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.458 -5.920 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.609 -5.703 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.070 -5.855 12.604 1.00 0.00 H new ATOM 1189 N THR A 83 93.468 -8.583 6.274 1.00 0.00 N ATOM 1190 CA THR A 83 93.393 -9.438 5.094 1.00 0.00 C ATOM 1191 C THR A 83 92.060 -10.172 5.038 1.00 0.00 C ATOM 1192 O THR A 83 91.486 -10.358 3.966 1.00 0.00 O ATOM 1193 CB THR A 83 94.531 -10.460 5.126 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.438 -11.225 6.319 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.878 -9.731 5.094 1.00 0.00 C ATOM 0 H THR A 83 94.225 -8.814 6.918 1.00 0.00 H new ATOM 0 HA THR A 83 93.482 -8.808 4.209 1.00 0.00 H new ATOM 0 HB THR A 83 94.455 -11.117 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.164 -11.883 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.687 -10.461 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.949 -9.138 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.957 -9.074 5.960 1.00 0.00 H new ATOM 1203 N GLU A 84 91.536 -10.493 6.214 1.00 0.00 N ATOM 1204 CA GLU A 84 90.238 -11.150 6.301 1.00 0.00 C ATOM 1205 C GLU A 84 89.204 -10.313 5.554 1.00 0.00 C ATOM 1206 O GLU A 84 88.066 -10.739 5.355 1.00 0.00 O ATOM 1207 CB GLU A 84 89.845 -11.320 7.774 1.00 0.00 C ATOM 1208 CG GLU A 84 89.918 -12.791 8.190 1.00 0.00 C ATOM 1209 CD GLU A 84 91.339 -13.312 8.006 1.00 0.00 C ATOM 1210 OE1 GLU A 84 92.187 -12.533 7.601 1.00 0.00 O ATOM 1211 OE2 GLU A 84 91.554 -14.488 8.247 1.00 0.00 O ATOM 0 H GLU A 84 91.984 -10.312 7.112 1.00 0.00 H new ATOM 0 HA GLU A 84 90.286 -12.138 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.508 -10.726 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.835 -10.943 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 84 89.614 -12.899 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.224 -13.382 7.592 1.00 0.00 H new ATOM 1218 N ASP A 85 89.613 -9.114 5.153 1.00 0.00 N ATOM 1219 CA ASP A 85 88.729 -8.199 4.439 1.00 0.00 C ATOM 1220 C ASP A 85 89.142 -8.105 2.973 1.00 0.00 C ATOM 1221 O ASP A 85 88.328 -7.747 2.122 1.00 0.00 O ATOM 1222 CB ASP A 85 88.784 -6.812 5.086 1.00 0.00 C ATOM 1223 CG ASP A 85 88.915 -6.937 6.601 1.00 0.00 C ATOM 1224 OD1 ASP A 85 88.802 -8.043 7.103 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.194 -5.931 7.233 1.00 0.00 O ATOM 0 H ASP A 85 90.554 -8.752 5.311 1.00 0.00 H new ATOM 0 HA ASP A 85 87.709 -8.579 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.629 -6.251 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.883 -6.252 4.837 1.00 0.00 H new ATOM 1230 N GLU A 86 90.412 -8.388 2.688 1.00 0.00 N ATOM 1231 CA GLU A 86 90.912 -8.342 1.318 1.00 0.00 C ATOM 1232 C GLU A 86 89.859 -8.811 0.317 1.00 0.00 C ATOM 1233 O GLU A 86 89.615 -10.010 0.183 1.00 0.00 O ATOM 1234 CB GLU A 86 92.154 -9.228 1.201 1.00 0.00 C ATOM 1235 CG GLU A 86 92.741 -9.105 -0.206 1.00 0.00 C ATOM 1236 CD GLU A 86 94.032 -9.911 -0.308 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.277 -10.713 0.578 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.782 -9.674 -1.240 1.00 0.00 O ATOM 0 H GLU A 86 91.109 -8.650 3.385 1.00 0.00 H new ATOM 0 HA GLU A 86 91.161 -7.307 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.896 -8.932 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.893 -10.266 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.021 -9.463 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.938 -8.058 -0.436 1.00 0.00 H new ATOM 1245 N ALA A 87 89.210 -7.860 -0.349 1.00 0.00 N ATOM 1246 CA ALA A 87 88.172 -8.201 -1.314 1.00 0.00 C ATOM 1247 C ALA A 87 87.642 -6.943 -1.993 1.00 0.00 C ATOM 1248 O ALA A 87 88.278 -5.890 -1.949 1.00 0.00 O ATOM 1249 CB ALA A 87 87.025 -8.928 -0.608 1.00 0.00 C ATOM 0 H ALA A 87 89.382 -6.860 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 87 88.603 -8.855 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.252 -9.180 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.402 -9.841 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.603 -8.281 0.161 1.00 0.00 H new ATOM 1255 N ASP A 88 86.521 -7.078 -2.696 1.00 0.00 N ATOM 1256 CA ASP A 88 85.931 -5.951 -3.410 1.00 0.00 C ATOM 1257 C ASP A 88 84.738 -5.377 -2.657 1.00 0.00 C ATOM 1258 O ASP A 88 84.073 -6.070 -1.889 1.00 0.00 O ATOM 1259 CB ASP A 88 85.493 -6.382 -4.811 1.00 0.00 C ATOM 1260 CG ASP A 88 86.706 -6.773 -5.648 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.473 -7.604 -5.190 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.807 -6.296 -6.766 1.00 0.00 O ATOM 0 H ASP A 88 86.005 -7.953 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 88 86.693 -5.175 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.804 -7.224 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.954 -5.569 -5.297 1.00 0.00 H new ATOM 1267 N TYR A 89 84.503 -4.086 -2.868 1.00 0.00 N ATOM 1268 CA TYR A 89 83.394 -3.372 -2.243 1.00 0.00 C ATOM 1269 C TYR A 89 82.449 -2.833 -3.313 1.00 0.00 C ATOM 1270 O TYR A 89 82.889 -2.270 -4.316 1.00 0.00 O ATOM 1271 CB TYR A 89 83.937 -2.209 -1.406 1.00 0.00 C ATOM 1272 CG TYR A 89 84.454 -2.720 -0.081 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.772 -3.177 0.034 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.616 -2.713 1.041 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.247 -3.640 1.268 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.078 -3.209 2.266 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.403 -3.647 2.386 1.00 0.00 C ATOM 1278 OH TYR A 89 85.863 -4.129 3.595 1.00 0.00 O ATOM 0 H TYR A 89 85.077 -3.504 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 89 82.847 -4.060 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.737 -1.704 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.151 -1.473 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.422 -3.173 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.612 -2.324 0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.264 -3.992 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.414 -3.254 3.117 1.00 0.00 H new ATOM 0 HH TYR A 89 85.152 -4.062 4.266 1.00 0.00 H new ATOM 1288 N TYR A 90 81.148 -2.944 -3.056 1.00 0.00 N ATOM 1289 CA TYR A 90 80.123 -2.457 -3.977 1.00 0.00 C ATOM 1290 C TYR A 90 79.246 -1.413 -3.286 1.00 0.00 C ATOM 1291 O TYR A 90 79.149 -1.394 -2.059 1.00 0.00 O ATOM 1292 CB TYR A 90 79.284 -3.646 -4.462 1.00 0.00 C ATOM 1293 CG TYR A 90 79.873 -4.244 -5.720 1.00 0.00 C ATOM 1294 CD1 TYR A 90 79.588 -3.666 -6.963 1.00 0.00 C ATOM 1295 CD2 TYR A 90 80.711 -5.363 -5.643 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.142 -4.206 -8.131 1.00 0.00 C ATOM 1297 CE2 TYR A 90 81.226 -5.930 -6.816 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.972 -5.331 -8.056 1.00 0.00 C ATOM 1299 OH TYR A 90 81.507 -5.872 -9.207 1.00 0.00 O ATOM 0 H TYR A 90 80.775 -3.372 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 90 80.594 -1.980 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.236 -4.405 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.261 -3.321 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 90 78.941 -2.803 -7.021 1.00 0.00 H new ATOM 0 HD2 TYR A 90 80.960 -5.788 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 90 79.929 -3.755 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 90 81.820 -6.831 -6.764 1.00 0.00 H new ATOM 0 HH TYR A 90 82.060 -6.648 -8.977 1.00 0.00 H new ATOM 1309 N CYS A 91 78.660 -0.512 -4.075 1.00 0.00 N ATOM 1310 CA CYS A 91 77.850 0.590 -3.555 1.00 0.00 C ATOM 1311 C CYS A 91 76.423 0.433 -4.085 1.00 0.00 C ATOM 1312 O CYS A 91 76.221 -0.103 -5.175 1.00 0.00 O ATOM 1313 CB CYS A 91 78.418 1.952 -3.998 1.00 0.00 C ATOM 1314 SG CYS A 91 79.917 2.447 -3.095 1.00 0.00 S ATOM 0 H CYS A 91 78.733 -0.526 -5.092 1.00 0.00 H new ATOM 0 HA CYS A 91 77.861 0.559 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.643 1.913 -5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.653 2.717 -3.862 1.00 0.00 H new ATOM 1319 N GLN A 92 75.422 0.775 -3.274 1.00 0.00 N ATOM 1320 CA GLN A 92 74.025 0.727 -3.704 1.00 0.00 C ATOM 1321 C GLN A 92 73.276 1.979 -3.256 1.00 0.00 C ATOM 1322 O GLN A 92 73.416 2.408 -2.111 1.00 0.00 O ATOM 1323 CB GLN A 92 73.317 -0.503 -3.130 1.00 0.00 C ATOM 1324 CG GLN A 92 73.934 -1.776 -3.714 1.00 0.00 C ATOM 1325 CD GLN A 92 73.080 -2.990 -3.360 1.00 0.00 C ATOM 1326 OE1 GLN A 92 71.922 -2.844 -2.970 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.563 -4.190 -3.537 1.00 0.00 N ATOM 0 H GLN A 92 75.554 1.089 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 92 74.023 0.671 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.405 -0.511 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.253 -0.463 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.016 -1.684 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.945 -1.909 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.523 -4.311 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.980 -5.007 -3.352 1.00 0.00 H new ATOM 1336 N SER A 93 72.370 2.470 -4.098 1.00 0.00 N ATOM 1337 CA SER A 93 71.610 3.679 -3.786 1.00 0.00 C ATOM 1338 C SER A 93 70.172 3.565 -4.284 1.00 0.00 C ATOM 1339 O SER A 93 69.866 2.743 -5.147 1.00 0.00 O ATOM 1340 CB SER A 93 72.272 4.898 -4.433 1.00 0.00 C ATOM 1341 OG SER A 93 71.901 4.970 -5.802 1.00 0.00 O ATOM 0 H SER A 93 72.144 2.051 -5.000 1.00 0.00 H new ATOM 0 HA SER A 93 71.599 3.798 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.968 5.808 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.356 4.827 -4.343 1.00 0.00 H new ATOM 0 HG SER A 93 72.324 5.752 -6.215 1.00 0.00 H new ATOM 1347 N TYR A 94 69.295 4.408 -3.744 1.00 0.00 N ATOM 1348 CA TYR A 94 67.890 4.429 -4.144 1.00 0.00 C ATOM 1349 C TYR A 94 67.493 5.825 -4.613 1.00 0.00 C ATOM 1350 O TYR A 94 67.922 6.827 -4.041 1.00 0.00 O ATOM 1351 CB TYR A 94 67.011 4.024 -2.959 1.00 0.00 C ATOM 1352 CG TYR A 94 67.150 2.541 -2.709 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.306 2.041 -2.097 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.131 1.663 -3.099 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.441 0.666 -1.872 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.244 0.293 -2.833 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.421 -0.210 -2.265 1.00 0.00 C ATOM 1358 OH TYR A 94 67.546 -1.564 -2.029 1.00 0.00 O ATOM 0 H TYR A 94 69.535 5.089 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 94 67.750 3.725 -4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.303 4.582 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.970 4.273 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.094 2.717 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.256 2.043 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.331 0.281 -1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.426 -0.373 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 94 66.750 -2.029 -2.362 1.00 0.00 H new ATOM 1368 N ASP A 95 66.603 5.885 -5.600 1.00 0.00 N ATOM 1369 CA ASP A 95 66.143 7.156 -6.153 1.00 0.00 C ATOM 1370 C ASP A 95 64.650 7.333 -5.890 1.00 0.00 C ATOM 1371 O ASP A 95 64.026 6.508 -5.223 1.00 0.00 O ATOM 1372 CB ASP A 95 66.416 7.194 -7.659 1.00 0.00 C ATOM 1373 CG ASP A 95 66.125 5.829 -8.273 1.00 0.00 C ATOM 1374 OD1 ASP A 95 65.433 5.051 -7.639 1.00 0.00 O ATOM 1375 OD2 ASP A 95 66.625 5.570 -9.355 1.00 0.00 O ATOM 0 H ASP A 95 66.184 5.063 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 95 66.684 7.970 -5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.795 7.955 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 95 67.454 7.471 -7.843 1.00 0.00 H new ATOM 1380 N SER A 96 64.098 8.439 -6.375 1.00 0.00 N ATOM 1381 CA SER A 96 62.686 8.734 -6.160 1.00 0.00 C ATOM 1382 C SER A 96 61.815 7.593 -6.677 1.00 0.00 C ATOM 1383 O SER A 96 60.844 7.199 -6.030 1.00 0.00 O ATOM 1384 CB SER A 96 62.310 10.029 -6.882 1.00 0.00 C ATOM 1385 OG SER A 96 63.070 11.104 -6.350 1.00 0.00 O ATOM 0 H SER A 96 64.602 9.142 -6.916 1.00 0.00 H new ATOM 0 HA SER A 96 62.517 8.850 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.498 9.930 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 96 61.245 10.228 -6.763 1.00 0.00 H new ATOM 0 HG SER A 96 62.831 11.934 -6.813 1.00 0.00 H new ATOM 1391 N SER A 97 62.187 7.047 -7.829 1.00 0.00 N ATOM 1392 CA SER A 97 61.439 5.942 -8.417 1.00 0.00 C ATOM 1393 C SER A 97 61.603 4.680 -7.577 1.00 0.00 C ATOM 1394 O SER A 97 61.152 3.603 -7.966 1.00 0.00 O ATOM 1395 CB SER A 97 61.934 5.679 -9.840 1.00 0.00 C ATOM 1396 OG SER A 97 61.640 6.801 -10.660 1.00 0.00 O ATOM 0 H SER A 97 62.996 7.349 -8.371 1.00 0.00 H new ATOM 0 HA SER A 97 60.383 6.212 -8.444 1.00 0.00 H new ATOM 0 HB2 SER A 97 63.008 5.491 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.457 4.786 -10.243 1.00 0.00 H new ATOM 0 HG SER A 97 61.959 6.633 -11.571 1.00 0.00 H new ATOM 1402 N ASN A 98 62.291 4.814 -6.448 1.00 0.00 N ATOM 1403 CA ASN A 98 62.512 3.679 -5.561 1.00 0.00 C ATOM 1404 C ASN A 98 63.178 2.535 -6.318 1.00 0.00 C ATOM 1405 O ASN A 98 62.871 1.366 -6.086 1.00 0.00 O ATOM 1406 CB ASN A 98 61.181 3.201 -4.979 1.00 0.00 C ATOM 1407 CG ASN A 98 60.618 4.252 -4.028 1.00 0.00 C ATOM 1408 OD1 ASN A 98 61.186 5.336 -3.893 1.00 0.00 O ATOM 1409 ND2 ASN A 98 59.552 3.978 -3.327 1.00 0.00 N ATOM 0 H ASN A 98 62.702 5.691 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 98 63.167 3.997 -4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.471 3.010 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.324 2.259 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.187 4.663 -2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 98 59.084 3.079 -3.441 1.00 0.00 H new ATOM 1416 N HIS A 99 64.118 2.874 -7.196 1.00 0.00 N ATOM 1417 CA HIS A 99 64.801 1.876 -8.013 1.00 0.00 C ATOM 1418 C HIS A 99 66.216 1.657 -7.486 1.00 0.00 C ATOM 1419 O HIS A 99 66.961 2.611 -7.262 1.00 0.00 O ATOM 1420 CB HIS A 99 64.847 2.356 -9.468 1.00 0.00 C ATOM 1421 CG HIS A 99 64.842 1.190 -10.420 1.00 0.00 C ATOM 1422 ND1 HIS A 99 65.465 -0.012 -10.126 1.00 0.00 N ATOM 1423 CD2 HIS A 99 64.156 0.978 -11.592 1.00 0.00 C ATOM 1424 CE1 HIS A 99 65.185 -0.870 -11.121 1.00 0.00 C ATOM 1425 NE2 HIS A 99 64.387 -0.321 -12.040 1.00 0.00 N ATOM 0 H HIS A 99 64.424 3.833 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 99 64.259 0.931 -7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.990 2.999 -9.670 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.742 2.957 -9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.533 1.707 -12.090 1.00 0.00 H new ATOM 0 HE1 HIS A 99 65.560 -1.882 -11.171 1.00 0.00 H new ATOM 0 HE2 HIS A 99 64.025 -0.758 -12.887 1.00 0.00 H new ATOM 1433 N VAL A 100 66.541 0.401 -7.201 1.00 0.00 N ATOM 1434 CA VAL A 100 67.860 0.064 -6.679 1.00 0.00 C ATOM 1435 C VAL A 100 68.927 0.268 -7.750 1.00 0.00 C ATOM 1436 O VAL A 100 68.821 -0.270 -8.852 1.00 0.00 O ATOM 1437 CB VAL A 100 67.869 -1.390 -6.201 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.819 -2.339 -7.401 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.142 -1.646 -5.390 1.00 0.00 C ATOM 0 H VAL A 100 65.915 -0.395 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 100 68.084 0.721 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 100 66.994 -1.570 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.826 -3.371 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.909 -2.156 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.687 -2.167 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.153 -2.681 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.015 -1.462 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.165 -0.978 -4.529 1.00 0.00 H new ATOM 1449 N VAL A 101 69.954 1.046 -7.422 1.00 0.00 N ATOM 1450 CA VAL A 101 71.046 1.316 -8.352 1.00 0.00 C ATOM 1451 C VAL A 101 72.344 0.724 -7.812 1.00 0.00 C ATOM 1452 O VAL A 101 72.572 0.717 -6.603 1.00 0.00 O ATOM 1453 CB VAL A 101 71.215 2.827 -8.522 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.446 3.111 -9.385 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.973 3.412 -9.198 1.00 0.00 C ATOM 0 H VAL A 101 70.053 1.502 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 101 70.813 0.862 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 101 71.344 3.287 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.565 4.188 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.332 2.699 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.319 2.648 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 101 70.097 4.488 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.840 2.951 -10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 101 69.096 3.214 -8.582 1.00 0.00 H new ATOM 1465 N PHE A 102 73.148 0.144 -8.701 1.00 0.00 N ATOM 1466 CA PHE A 102 74.402 -0.500 -8.316 1.00 0.00 C ATOM 1467 C PHE A 102 75.583 0.182 -9.002 1.00 0.00 C ATOM 1468 O PHE A 102 75.438 0.771 -10.073 1.00 0.00 O ATOM 1469 CB PHE A 102 74.355 -1.991 -8.676 1.00 0.00 C ATOM 1470 CG PHE A 102 73.414 -2.218 -9.838 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.683 -1.631 -11.079 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.228 -2.941 -9.651 1.00 0.00 C ATOM 1473 CE1 PHE A 102 72.799 -1.816 -12.148 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.319 -3.083 -10.706 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.620 -2.549 -11.964 1.00 0.00 C ATOM 0 H PHE A 102 72.951 0.107 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 102 74.533 -0.404 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.354 -2.342 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.026 -2.571 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 102 74.574 -1.035 -11.212 1.00 0.00 H new ATOM 0 HD2 PHE A 102 72.015 -3.389 -8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 102 73.026 -1.393 -13.115 1.00 0.00 H new ATOM 0 HE2 PHE A 102 70.386 -3.604 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 102 70.944 -2.702 -12.792 1.00 0.00 H new ATOM 1485 N GLY A 103 76.746 0.127 -8.357 1.00 0.00 N ATOM 1486 CA GLY A 103 77.959 0.739 -8.892 1.00 0.00 C ATOM 1487 C GLY A 103 78.903 -0.319 -9.453 1.00 0.00 C ATOM 1488 O GLY A 103 78.708 -1.514 -9.235 1.00 0.00 O ATOM 0 H GLY A 103 76.874 -0.338 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.697 1.450 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.463 1.302 -8.107 1.00 0.00 H new ATOM 1492 N GLY A 104 79.978 0.133 -10.092 1.00 0.00 N ATOM 1493 CA GLY A 104 80.972 -0.785 -10.636 1.00 0.00 C ATOM 1494 C GLY A 104 81.710 -1.513 -9.518 1.00 0.00 C ATOM 1495 O GLY A 104 82.054 -2.688 -9.652 1.00 0.00 O ATOM 0 H GLY A 104 80.182 1.121 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.485 -1.510 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.685 -0.234 -11.249 1.00 0.00 H new ATOM 1499 N GLY A 105 81.911 -0.826 -8.397 1.00 0.00 N ATOM 1500 CA GLY A 105 82.575 -1.420 -7.241 1.00 0.00 C ATOM 1501 C GLY A 105 84.033 -0.983 -7.157 1.00 0.00 C ATOM 1502 O GLY A 105 84.486 -0.155 -7.948 1.00 0.00 O ATOM 0 H GLY A 105 81.623 0.144 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.053 -1.130 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.522 -2.507 -7.306 1.00 0.00 H new ATOM 1506 N THR A 106 84.695 -1.391 -6.079 1.00 0.00 N ATOM 1507 CA THR A 106 86.081 -1.005 -5.837 1.00 0.00 C ATOM 1508 C THR A 106 86.854 -2.149 -5.188 1.00 0.00 C ATOM 1509 O THR A 106 86.373 -2.781 -4.248 1.00 0.00 O ATOM 1510 CB THR A 106 86.122 0.221 -4.923 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.366 1.263 -5.522 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.565 0.692 -4.717 1.00 0.00 C ATOM 0 H THR A 106 84.293 -1.990 -5.358 1.00 0.00 H new ATOM 0 HA THR A 106 86.546 -0.767 -6.794 1.00 0.00 H new ATOM 0 HB THR A 106 85.702 -0.042 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.842 1.602 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.573 1.565 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.147 -0.108 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.003 0.955 -5.680 1.00 0.00 H new ATOM 1520 N LYS A 107 88.061 -2.402 -5.686 1.00 0.00 N ATOM 1521 CA LYS A 107 88.889 -3.479 -5.156 1.00 0.00 C ATOM 1522 C LYS A 107 89.775 -2.971 -4.024 1.00 0.00 C ATOM 1523 O LYS A 107 90.557 -2.040 -4.215 1.00 0.00 O ATOM 1524 CB LYS A 107 89.759 -4.075 -6.264 1.00 0.00 C ATOM 1525 CG LYS A 107 90.480 -5.308 -5.716 1.00 0.00 C ATOM 1526 CD LYS A 107 91.236 -6.005 -6.848 1.00 0.00 C ATOM 1527 CE LYS A 107 91.928 -7.252 -6.295 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.846 -7.806 -7.330 1.00 0.00 N ATOM 0 H LYS A 107 88.485 -1.879 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 107 88.229 -4.253 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.144 -4.348 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.483 -3.338 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.174 -5.016 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.760 -5.994 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.547 -6.280 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.972 -5.328 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.487 -7.002 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.186 -7.999 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.318 -8.654 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.300 -8.058 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.561 -7.092 -7.578 1.00 0.00 H new ATOM 1542 N LEU A 108 89.640 -3.569 -2.843 1.00 0.00 N ATOM 1543 CA LEU A 108 90.443 -3.191 -1.688 1.00 0.00 C ATOM 1544 C LEU A 108 91.478 -4.273 -1.401 1.00 0.00 C ATOM 1545 O LEU A 108 91.117 -5.431 -1.187 1.00 0.00 O ATOM 1546 CB LEU A 108 89.536 -3.030 -0.465 1.00 0.00 C ATOM 1547 CG LEU A 108 90.356 -2.709 0.790 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.285 -1.525 0.515 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.427 -2.369 1.960 1.00 0.00 C ATOM 0 H LEU A 108 88.977 -4.322 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 108 90.950 -2.249 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.814 -2.233 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.967 -3.946 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 108 90.950 -3.585 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.865 -1.302 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.961 -1.775 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.691 -0.653 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.023 -2.143 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.819 -1.502 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.777 -3.219 2.168 1.00 0.00 H new ATOM 1561 N THR A 109 92.737 -3.874 -1.250 1.00 0.00 N ATOM 1562 CA THR A 109 93.802 -4.827 -0.951 1.00 0.00 C ATOM 1563 C THR A 109 94.505 -4.452 0.349 1.00 0.00 C ATOM 1564 O THR A 109 94.783 -3.280 0.598 1.00 0.00 O ATOM 1565 CB THR A 109 94.824 -4.841 -2.089 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.188 -5.253 -3.289 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.952 -5.816 -1.746 1.00 0.00 C ATOM 0 H THR A 109 93.044 -2.905 -1.329 1.00 0.00 H new ATOM 0 HA THR A 109 93.357 -5.816 -0.844 1.00 0.00 H new ATOM 0 HB THR A 109 95.237 -3.841 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.841 -5.261 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.682 -5.828 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.439 -5.499 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.540 -6.817 -1.614 1.00 0.00 H new ATOM 1575 N VAL A 110 94.743 -5.446 1.200 1.00 0.00 N ATOM 1576 CA VAL A 110 95.388 -5.218 2.490 1.00 0.00 C ATOM 1577 C VAL A 110 96.687 -6.011 2.586 1.00 0.00 C ATOM 1578 O VAL A 110 96.674 -7.241 2.634 1.00 0.00 O ATOM 1579 CB VAL A 110 94.447 -5.635 3.625 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.022 -5.181 4.971 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.066 -5.007 3.409 1.00 0.00 C ATOM 0 H VAL A 110 94.498 -6.420 1.019 1.00 0.00 H new ATOM 0 HA VAL A 110 95.617 -4.156 2.579 1.00 0.00 H new ATOM 0 HB VAL A 110 94.349 -6.721 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.348 -5.480 5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.997 -5.643 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.130 -4.096 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.400 -5.306 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.158 -3.921 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.657 -5.347 2.458 1.00 0.00 H new ATOM 1591 N LEU A 111 97.809 -5.300 2.559 1.00 0.00 N ATOM 1592 CA LEU A 111 99.127 -5.928 2.615 1.00 0.00 C ATOM 1593 C LEU A 111 99.757 -5.697 3.986 1.00 0.00 C ATOM 1594 O LEU A 111 99.107 -5.978 4.953 1.00 0.00 O ATOM 1595 CB LEU A 111 100.013 -5.374 1.493 1.00 0.00 C ATOM 1596 CG LEU A 111 99.655 -3.915 1.197 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.830 -3.056 2.452 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.578 -3.391 0.095 1.00 0.00 C ATOM 1599 OXT LEU A 111 100.915 -5.292 4.012 1.00 0.00 O ATOM 0 H LEU A 111 97.833 -4.282 2.498 1.00 0.00 H new ATOM 0 HA LEU A 111 99.026 -7.003 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 111 101.062 -5.446 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 111 99.888 -5.975 0.592 1.00 0.00 H new ATOM 0 HG LEU A 111 98.615 -3.861 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.571 -2.022 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.177 -3.428 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.867 -3.106 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.331 -2.352 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.614 -3.455 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.447 -3.992 -0.805 1.00 0.00 H new TER 1611 LEU A 111