USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1022 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 28 TYR OH : rot -84:sc= 0.874 USER MOD Set 1.2: A 47 SER OG : rot -79:sc= 2.18 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.44) USER MOD Single : A 21 MET CE :methyl -131:sc= -2.51 (180deg=-4.09!) USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.0225 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 35 ASN : amide:sc= -5.49! C(o=-5.5!,f=-8.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 47:sc= 1.26 USER MOD Single : A 48 SER OG : rot 92:sc= -0.487 USER MOD Single : A 52 THR OG1 : rot -80:sc= -0.262 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 120:sc= -0.732 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.718 (180deg=0.689) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 TYR OH : rot -34:sc= -0.628! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -125:sc= -0.143 (180deg=-0.637) USER MOD Single : A 72 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.061) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0199) USER MOD Single : A 81 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.66) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.5) USER MOD Single : A 100 MET CE :methyl -117:sc= -4! (180deg=-8.14!) USER MOD Single : A 102 TYR OH : rot 161:sc= 0.0223 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 90:sc= 0.938 USER MOD Single : A 108 MET CE :methyl -128:sc= -1.78 (180deg=-5.25!) USER MOD Single : A 112 THR OG1 : rot 69:sc= 0.734 USER MOD Single : A 113 MET CE :methyl -163:sc= -2.35 (180deg=-2.82) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -1.45 X(o=-1.4,f=-1) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 123 THR OG1 : rot 44:sc= 0.298 USER MOD Single : A 127 LYS NZ :NH3+ 148:sc= 0.0196 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.5!) USER MOD Single : A 134 THR OG1 : rot -21:sc= 0.855 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 2.895 1.811 2.792 1.00 71.33 N ATOM 2 CA SER A 12 3.722 2.209 1.659 1.00 63.21 C ATOM 3 C SER A 12 3.709 1.137 0.573 1.00 24.35 C ATOM 4 O SER A 12 3.362 1.405 -0.576 1.00 23.02 O ATOM 5 CB SER A 12 5.159 2.470 2.116 1.00 14.52 C ATOM 6 OG SER A 12 5.483 3.846 2.016 1.00 0.31 O ATOM 0 HA SER A 12 3.307 3.128 1.244 1.00 63.21 H new ATOM 0 HB2 SER A 12 5.282 2.138 3.147 1.00 14.52 H new ATOM 0 HB3 SER A 12 5.849 1.885 1.508 1.00 14.52 H new ATOM 0 HG SER A 12 6.405 3.987 2.315 1.00 0.31 H new ATOM 12 N GLY A 13 4.091 -0.081 0.948 1.00 2.32 N ATOM 13 CA GLY A 13 4.117 -1.176 -0.004 1.00 0.24 C ATOM 14 C GLY A 13 4.821 -2.402 0.542 1.00 21.14 C ATOM 15 O GLY A 13 5.775 -2.288 1.314 1.00 52.14 O ATOM 0 H GLY A 13 4.383 -0.328 1.894 1.00 2.32 H new ATOM 0 HA2 GLY A 13 3.095 -1.439 -0.278 1.00 0.24 H new ATOM 0 HA3 GLY A 13 4.617 -0.849 -0.915 1.00 0.24 H new ATOM 19 N LEU A 14 4.351 -3.579 0.144 1.00 14.21 N ATOM 20 CA LEU A 14 4.941 -4.833 0.600 1.00 54.20 C ATOM 21 C LEU A 14 4.840 -5.906 -0.479 1.00 75.11 C ATOM 22 O LEU A 14 3.838 -5.994 -1.190 1.00 23.41 O ATOM 23 CB LEU A 14 4.248 -5.311 1.877 1.00 14.32 C ATOM 24 CG LEU A 14 5.066 -6.235 2.780 1.00 42.45 C ATOM 25 CD1 LEU A 14 5.184 -5.648 4.178 1.00 60.23 C ATOM 26 CD2 LEU A 14 4.440 -7.621 2.832 1.00 45.24 C ATOM 0 H LEU A 14 3.563 -3.691 -0.494 1.00 14.21 H new ATOM 0 HA LEU A 14 5.995 -4.654 0.811 1.00 54.20 H new ATOM 0 HB2 LEU A 14 3.955 -4.436 2.457 1.00 14.32 H new ATOM 0 HB3 LEU A 14 3.331 -5.829 1.597 1.00 14.32 H new ATOM 0 HG LEU A 14 6.068 -6.327 2.361 1.00 42.45 H new ATOM 0 HD11 LEU A 14 5.769 -6.319 4.806 1.00 60.23 H new ATOM 0 HD12 LEU A 14 5.678 -4.678 4.125 1.00 60.23 H new ATOM 0 HD13 LEU A 14 4.189 -5.525 4.606 1.00 60.23 H new ATOM 0 HD21 LEU A 14 5.035 -8.265 3.479 1.00 45.24 H new ATOM 0 HD22 LEU A 14 3.426 -7.548 3.226 1.00 45.24 H new ATOM 0 HD23 LEU A 14 4.409 -8.044 1.828 1.00 45.24 H new ATOM 38 N VAL A 15 5.883 -6.722 -0.595 1.00 13.14 N ATOM 39 CA VAL A 15 5.910 -7.792 -1.585 1.00 23.05 C ATOM 40 C VAL A 15 5.460 -9.115 -0.976 1.00 24.41 C ATOM 41 O VAL A 15 5.657 -9.380 0.210 1.00 34.33 O ATOM 42 CB VAL A 15 7.319 -7.967 -2.183 1.00 31.25 C ATOM 43 CG1 VAL A 15 7.813 -9.391 -1.978 1.00 73.20 C ATOM 44 CG2 VAL A 15 7.320 -7.601 -3.659 1.00 12.41 C ATOM 0 H VAL A 15 6.720 -6.662 -0.016 1.00 13.14 H new ATOM 0 HA VAL A 15 5.219 -7.507 -2.379 1.00 23.05 H new ATOM 0 HB VAL A 15 8.001 -7.293 -1.665 1.00 31.25 H new ATOM 0 HG11 VAL A 15 8.810 -9.496 -2.407 1.00 73.20 H new ATOM 0 HG12 VAL A 15 7.852 -9.613 -0.911 1.00 73.20 H new ATOM 0 HG13 VAL A 15 7.132 -10.087 -2.469 1.00 73.20 H new ATOM 0 HG21 VAL A 15 8.323 -7.730 -4.065 1.00 12.41 H new ATOM 0 HG22 VAL A 15 6.625 -8.248 -4.195 1.00 12.41 H new ATOM 0 HG23 VAL A 15 7.012 -6.562 -3.776 1.00 12.41 H new ATOM 54 N PRO A 16 4.842 -9.968 -1.806 1.00 20.50 N ATOM 55 CA PRO A 16 4.352 -11.280 -1.372 1.00 71.10 C ATOM 56 C PRO A 16 5.487 -12.250 -1.063 1.00 62.11 C ATOM 57 O PRO A 16 5.911 -12.378 0.086 1.00 63.45 O ATOM 58 CB PRO A 16 3.541 -11.771 -2.574 1.00 21.21 C ATOM 59 CG PRO A 16 4.130 -11.061 -3.744 1.00 12.13 C ATOM 60 CD PRO A 16 4.574 -9.719 -3.232 1.00 43.52 C ATOM 0 HA PRO A 16 3.775 -11.215 -0.449 1.00 71.10 H new ATOM 0 HB2 PRO A 16 3.617 -12.852 -2.688 1.00 21.21 H new ATOM 0 HB3 PRO A 16 2.483 -11.536 -2.460 1.00 21.21 H new ATOM 0 HG2 PRO A 16 4.970 -11.619 -4.157 1.00 12.13 H new ATOM 0 HG3 PRO A 16 3.397 -10.951 -4.543 1.00 12.13 H new ATOM 0 HD2 PRO A 16 5.464 -9.365 -3.752 1.00 43.52 H new ATOM 0 HD3 PRO A 16 3.802 -8.961 -3.369 1.00 43.52 H new ATOM 68 N ARG A 17 5.975 -12.930 -2.095 1.00 64.32 N ATOM 69 CA ARG A 17 7.061 -13.889 -1.933 1.00 65.41 C ATOM 70 C ARG A 17 6.687 -14.969 -0.922 1.00 2.24 C ATOM 71 O ARG A 17 5.588 -14.963 -0.370 1.00 15.50 O ATOM 72 CB ARG A 17 8.338 -13.176 -1.484 1.00 51.54 C ATOM 73 CG ARG A 17 9.313 -12.901 -2.618 1.00 31.42 C ATOM 74 CD ARG A 17 8.657 -12.109 -3.738 1.00 34.32 C ATOM 75 NE ARG A 17 8.483 -12.911 -4.946 1.00 42.22 N ATOM 76 CZ ARG A 17 7.870 -12.470 -6.039 1.00 12.21 C ATOM 77 NH1 ARG A 17 7.375 -11.240 -6.075 1.00 35.54 N ATOM 78 NH2 ARG A 17 7.751 -13.259 -7.099 1.00 24.00 N ATOM 0 H ARG A 17 5.636 -12.835 -3.052 1.00 64.32 H new ATOM 0 HA ARG A 17 7.238 -14.364 -2.898 1.00 65.41 H new ATOM 0 HB2 ARG A 17 8.069 -12.232 -1.010 1.00 51.54 H new ATOM 0 HB3 ARG A 17 8.836 -13.782 -0.727 1.00 51.54 H new ATOM 0 HG2 ARG A 17 10.171 -12.349 -2.235 1.00 31.42 H new ATOM 0 HG3 ARG A 17 9.691 -13.845 -3.011 1.00 31.42 H new ATOM 0 HD2 ARG A 17 7.686 -11.743 -3.403 1.00 34.32 H new ATOM 0 HD3 ARG A 17 9.265 -11.234 -3.968 1.00 34.32 H new ATOM 0 HE ARG A 17 8.852 -13.862 -4.951 1.00 42.22 H new ATOM 0 HH11 ARG A 17 7.465 -10.630 -5.262 1.00 35.54 H new ATOM 0 HH12 ARG A 17 6.905 -10.904 -6.915 1.00 35.54 H new ATOM 0 HH21 ARG A 17 8.130 -14.206 -7.075 1.00 24.00 H new ATOM 0 HH22 ARG A 17 7.280 -12.919 -7.937 1.00 24.00 H new ATOM 92 N GLY A 18 7.611 -15.896 -0.684 1.00 15.54 N ATOM 93 CA GLY A 18 7.358 -16.969 0.260 1.00 4.33 C ATOM 94 C GLY A 18 6.882 -16.458 1.606 1.00 43.44 C ATOM 95 O GLY A 18 5.759 -16.740 2.022 1.00 20.04 O ATOM 0 H GLY A 18 8.529 -15.923 -1.128 1.00 15.54 H new ATOM 0 HA2 GLY A 18 6.609 -17.644 -0.154 1.00 4.33 H new ATOM 0 HA3 GLY A 18 8.270 -17.550 0.397 1.00 4.33 H new ATOM 99 N SER A 19 7.739 -15.704 2.288 1.00 61.43 N ATOM 100 CA SER A 19 7.402 -15.157 3.597 1.00 72.33 C ATOM 101 C SER A 19 8.552 -14.321 4.149 1.00 63.12 C ATOM 102 O SER A 19 9.602 -14.852 4.513 1.00 62.12 O ATOM 103 CB SER A 19 7.062 -16.286 4.572 1.00 4.45 C ATOM 104 OG SER A 19 5.769 -16.111 5.124 1.00 12.22 O ATOM 0 H SER A 19 8.671 -15.458 1.956 1.00 61.43 H new ATOM 0 HA SER A 19 6.531 -14.512 3.481 1.00 72.33 H new ATOM 0 HB2 SER A 19 7.114 -17.245 4.056 1.00 4.45 H new ATOM 0 HB3 SER A 19 7.802 -16.315 5.372 1.00 4.45 H new ATOM 0 HG SER A 19 5.575 -16.846 5.742 1.00 12.22 H new ATOM 110 N HIS A 20 8.347 -13.009 4.208 1.00 71.10 N ATOM 111 CA HIS A 20 9.366 -12.098 4.716 1.00 1.21 C ATOM 112 C HIS A 20 10.702 -12.332 4.016 1.00 14.33 C ATOM 113 O HIS A 20 11.644 -12.851 4.614 1.00 75.21 O ATOM 114 CB HIS A 20 9.531 -12.274 6.226 1.00 54.30 C ATOM 115 CG HIS A 20 8.269 -12.037 6.998 1.00 72.35 C ATOM 116 ND1 HIS A 20 7.981 -10.841 7.621 1.00 72.52 N ATOM 117 CD2 HIS A 20 7.216 -12.851 7.243 1.00 33.23 C ATOM 118 CE1 HIS A 20 6.806 -10.931 8.218 1.00 12.31 C ATOM 119 NE2 HIS A 20 6.320 -12.140 8.004 1.00 63.22 N ATOM 0 H HIS A 20 7.484 -12.553 3.910 1.00 71.10 H new ATOM 0 HA HIS A 20 9.041 -11.078 4.510 1.00 1.21 H new ATOM 0 HB2 HIS A 20 9.887 -13.284 6.429 1.00 54.30 H new ATOM 0 HB3 HIS A 20 10.299 -11.587 6.582 1.00 54.30 H new ATOM 0 HD2 HIS A 20 7.101 -13.870 6.904 1.00 33.23 H new ATOM 0 HE1 HIS A 20 6.324 -10.148 8.785 1.00 12.31 H new ATOM 0 HE2 HIS A 20 5.425 -12.489 8.348 1.00 63.22 H new ATOM 127 N MET A 21 10.775 -11.945 2.747 1.00 75.32 N ATOM 128 CA MET A 21 11.995 -12.113 1.966 1.00 10.24 C ATOM 129 C MET A 21 12.373 -10.813 1.263 1.00 62.20 C ATOM 130 O MET A 21 13.533 -10.401 1.281 1.00 40.12 O ATOM 131 CB MET A 21 11.818 -13.231 0.937 1.00 41.30 C ATOM 132 CG MET A 21 11.083 -14.446 1.480 1.00 44.24 C ATOM 133 SD MET A 21 11.897 -15.997 1.053 1.00 61.21 S ATOM 134 CE MET A 21 10.756 -17.183 1.759 1.00 21.45 C ATOM 0 H MET A 21 10.004 -11.513 2.238 1.00 75.32 H new ATOM 0 HA MET A 21 12.800 -12.383 2.649 1.00 10.24 H new ATOM 0 HB2 MET A 21 11.272 -12.840 0.078 1.00 41.30 H new ATOM 0 HB3 MET A 21 12.799 -13.541 0.577 1.00 41.30 H new ATOM 0 HG2 MET A 21 11.008 -14.366 2.564 1.00 44.24 H new ATOM 0 HG3 MET A 21 10.065 -14.455 1.090 1.00 44.24 H new ATOM 0 HE1 MET A 21 11.308 -17.907 2.358 1.00 21.45 H new ATOM 0 HE2 MET A 21 10.036 -16.663 2.391 1.00 21.45 H new ATOM 0 HE3 MET A 21 10.228 -17.701 0.958 1.00 21.45 H new ATOM 144 N VAL A 22 11.387 -10.172 0.644 1.00 42.13 N ATOM 145 CA VAL A 22 11.617 -8.919 -0.065 1.00 52.40 C ATOM 146 C VAL A 22 10.450 -7.957 0.127 1.00 14.10 C ATOM 147 O VAL A 22 9.312 -8.379 0.336 1.00 61.03 O ATOM 148 CB VAL A 22 11.829 -9.157 -1.572 1.00 11.31 C ATOM 149 CG1 VAL A 22 12.598 -8.000 -2.192 1.00 71.13 C ATOM 150 CG2 VAL A 22 12.551 -10.475 -1.806 1.00 45.31 C ATOM 0 H VAL A 22 10.421 -10.500 0.619 1.00 42.13 H new ATOM 0 HA VAL A 22 12.521 -8.479 0.356 1.00 52.40 H new ATOM 0 HB VAL A 22 10.853 -9.213 -2.055 1.00 11.31 H new ATOM 0 HG11 VAL A 22 12.738 -8.186 -3.257 1.00 71.13 H new ATOM 0 HG12 VAL A 22 12.037 -7.076 -2.056 1.00 71.13 H new ATOM 0 HG13 VAL A 22 13.571 -7.909 -1.708 1.00 71.13 H new ATOM 0 HG21 VAL A 22 12.693 -10.627 -2.876 1.00 45.31 H new ATOM 0 HG22 VAL A 22 13.522 -10.451 -1.311 1.00 45.31 H new ATOM 0 HG23 VAL A 22 11.957 -11.293 -1.399 1.00 45.31 H new ATOM 160 N ARG A 23 10.739 -6.662 0.055 1.00 41.23 N ATOM 161 CA ARG A 23 9.713 -5.639 0.221 1.00 24.23 C ATOM 162 C ARG A 23 10.208 -4.286 -0.281 1.00 2.00 C ATOM 163 O ARG A 23 11.391 -3.964 -0.164 1.00 73.14 O ATOM 164 CB ARG A 23 9.305 -5.531 1.692 1.00 71.14 C ATOM 165 CG ARG A 23 10.228 -4.650 2.517 1.00 51.20 C ATOM 166 CD ARG A 23 9.820 -4.634 3.982 1.00 63.21 C ATOM 167 NE ARG A 23 10.800 -5.308 4.830 1.00 42.21 N ATOM 168 CZ ARG A 23 10.668 -5.437 6.145 1.00 5.44 C ATOM 169 NH1 ARG A 23 9.604 -4.941 6.760 1.00 15.31 N ATOM 170 NH2 ARG A 23 11.603 -6.063 6.849 1.00 61.12 N ATOM 0 H ARG A 23 11.675 -6.296 -0.117 1.00 41.23 H new ATOM 0 HA ARG A 23 8.845 -5.931 -0.370 1.00 24.23 H new ATOM 0 HB2 ARG A 23 8.291 -5.136 1.751 1.00 71.14 H new ATOM 0 HB3 ARG A 23 9.284 -6.530 2.129 1.00 71.14 H new ATOM 0 HG2 ARG A 23 11.253 -5.010 2.427 1.00 51.20 H new ATOM 0 HG3 ARG A 23 10.212 -3.634 2.122 1.00 51.20 H new ATOM 0 HD2 ARG A 23 9.701 -3.603 4.314 1.00 63.21 H new ATOM 0 HD3 ARG A 23 8.850 -5.118 4.094 1.00 63.21 H new ATOM 0 HE ARG A 23 11.631 -5.701 4.388 1.00 42.21 H new ATOM 0 HH11 ARG A 23 8.883 -4.458 6.223 1.00 15.31 H new ATOM 0 HH12 ARG A 23 9.506 -5.042 7.770 1.00 15.31 H new ATOM 0 HH21 ARG A 23 12.424 -6.446 6.380 1.00 61.12 H new ATOM 0 HH22 ARG A 23 11.501 -6.161 7.859 1.00 61.12 H new ATOM 184 N ARG A 24 9.295 -3.498 -0.840 1.00 64.32 N ATOM 185 CA ARG A 24 9.639 -2.181 -1.362 1.00 22.12 C ATOM 186 C ARG A 24 9.974 -1.218 -0.227 1.00 44.51 C ATOM 187 O ARG A 24 9.138 -0.416 0.187 1.00 52.30 O ATOM 188 CB ARG A 24 8.485 -1.622 -2.196 1.00 31.13 C ATOM 189 CG ARG A 24 8.270 -2.357 -3.509 1.00 5.12 C ATOM 190 CD ARG A 24 7.213 -3.442 -3.374 1.00 4.30 C ATOM 191 NE ARG A 24 6.432 -3.600 -4.598 1.00 1.33 N ATOM 192 CZ ARG A 24 5.579 -2.686 -5.048 1.00 65.23 C ATOM 193 NH1 ARG A 24 5.400 -1.555 -4.380 1.00 33.42 N ATOM 194 NH2 ARG A 24 4.905 -2.903 -6.170 1.00 51.32 N ATOM 0 H ARG A 24 8.312 -3.749 -0.943 1.00 64.32 H new ATOM 0 HA ARG A 24 10.518 -2.287 -1.997 1.00 22.12 H new ATOM 0 HB2 ARG A 24 7.568 -1.669 -1.609 1.00 31.13 H new ATOM 0 HB3 ARG A 24 8.676 -0.570 -2.406 1.00 31.13 H new ATOM 0 HG2 ARG A 24 7.968 -1.647 -4.279 1.00 5.12 H new ATOM 0 HG3 ARG A 24 9.210 -2.802 -3.836 1.00 5.12 H new ATOM 0 HD2 ARG A 24 7.694 -4.388 -3.126 1.00 4.30 H new ATOM 0 HD3 ARG A 24 6.546 -3.198 -2.547 1.00 4.30 H new ATOM 0 HE ARG A 24 6.548 -4.458 -5.137 1.00 1.33 H new ATOM 0 HH11 ARG A 24 5.918 -1.384 -3.518 1.00 33.42 H new ATOM 0 HH12 ARG A 24 4.744 -0.855 -4.728 1.00 33.42 H new ATOM 0 HH21 ARG A 24 5.042 -3.771 -6.687 1.00 51.32 H new ATOM 0 HH22 ARG A 24 4.250 -2.201 -6.515 1.00 51.32 H new ATOM 208 N ALA A 25 11.203 -1.303 0.271 1.00 24.13 N ATOM 209 CA ALA A 25 11.650 -0.438 1.357 1.00 75.34 C ATOM 210 C ALA A 25 12.506 0.708 0.829 1.00 74.13 C ATOM 211 O ALA A 25 12.585 0.931 -0.379 1.00 74.35 O ATOM 212 CB ALA A 25 12.422 -1.244 2.390 1.00 24.40 C ATOM 0 H ALA A 25 11.907 -1.962 -0.060 1.00 24.13 H new ATOM 0 HA ALA A 25 10.768 -0.009 1.833 1.00 75.34 H new ATOM 0 HB1 ALA A 25 12.749 -0.586 3.195 1.00 24.40 H new ATOM 0 HB2 ALA A 25 11.779 -2.024 2.798 1.00 24.40 H new ATOM 0 HB3 ALA A 25 13.292 -1.701 1.919 1.00 24.40 H new ATOM 218 N ARG A 26 13.144 1.432 1.742 1.00 43.33 N ATOM 219 CA ARG A 26 13.993 2.557 1.367 1.00 1.14 C ATOM 220 C ARG A 26 15.366 2.074 0.911 1.00 25.50 C ATOM 221 O ARG A 26 15.641 0.873 0.897 1.00 10.21 O ATOM 222 CB ARG A 26 14.146 3.522 2.545 1.00 53.24 C ATOM 223 CG ARG A 26 13.970 4.983 2.161 1.00 24.45 C ATOM 224 CD ARG A 26 13.493 5.815 3.341 1.00 22.45 C ATOM 225 NE ARG A 26 12.067 5.635 3.597 1.00 75.04 N ATOM 226 CZ ARG A 26 11.112 6.181 2.851 1.00 2.23 C ATOM 227 NH1 ARG A 26 11.431 6.937 1.810 1.00 51.13 N ATOM 228 NH2 ARG A 26 9.836 5.971 3.147 1.00 12.21 N ATOM 0 H ARG A 26 13.090 1.260 2.746 1.00 43.33 H new ATOM 0 HA ARG A 26 13.516 3.079 0.537 1.00 1.14 H new ATOM 0 HB2 ARG A 26 13.415 3.266 3.311 1.00 53.24 H new ATOM 0 HB3 ARG A 26 15.133 3.388 2.988 1.00 53.24 H new ATOM 0 HG2 ARG A 26 14.916 5.380 1.793 1.00 24.45 H new ATOM 0 HG3 ARG A 26 13.252 5.062 1.345 1.00 24.45 H new ATOM 0 HD2 ARG A 26 14.059 5.539 4.231 1.00 22.45 H new ATOM 0 HD3 ARG A 26 13.696 6.868 3.148 1.00 22.45 H new ATOM 0 HE ARG A 26 11.788 5.059 4.391 1.00 75.04 H new ATOM 0 HH11 ARG A 26 12.411 7.101 1.580 1.00 51.13 H new ATOM 0 HH12 ARG A 26 10.696 7.355 1.239 1.00 51.13 H new ATOM 0 HH21 ARG A 26 9.587 5.390 3.948 1.00 12.21 H new ATOM 0 HH22 ARG A 26 9.104 6.390 2.574 1.00 12.21 H new ATOM 242 N CYS A 27 16.226 3.016 0.538 1.00 72.24 N ATOM 243 CA CYS A 27 17.570 2.687 0.079 1.00 2.35 C ATOM 244 C CYS A 27 18.464 3.924 0.085 1.00 2.01 C ATOM 245 O CYS A 27 18.155 4.929 -0.555 1.00 41.31 O ATOM 246 CB CYS A 27 17.520 2.087 -1.327 1.00 50.30 C ATOM 247 SG CYS A 27 18.541 0.593 -1.535 1.00 31.12 S ATOM 0 H CYS A 27 16.016 4.014 0.545 1.00 72.24 H new ATOM 0 HA CYS A 27 17.991 1.952 0.765 1.00 2.35 H new ATOM 0 HB2 CYS A 27 16.486 1.844 -1.570 1.00 50.30 H new ATOM 0 HB3 CYS A 27 17.847 2.840 -2.044 1.00 50.30 H new ATOM 252 N TYR A 28 19.573 3.842 0.812 1.00 41.03 N ATOM 253 CA TYR A 28 20.511 4.955 0.903 1.00 62.52 C ATOM 254 C TYR A 28 21.937 4.490 0.622 1.00 72.53 C ATOM 255 O TYR A 28 22.300 3.338 0.861 1.00 22.12 O ATOM 256 CB TYR A 28 20.437 5.599 2.288 1.00 50.42 C ATOM 257 CG TYR A 28 20.864 4.678 3.408 1.00 2.43 C ATOM 258 CD1 TYR A 28 22.209 4.487 3.702 1.00 11.52 C ATOM 259 CD2 TYR A 28 19.924 3.999 4.172 1.00 31.52 C ATOM 260 CE1 TYR A 28 22.604 3.646 4.724 1.00 1.55 C ATOM 261 CE2 TYR A 28 20.310 3.157 5.197 1.00 31.23 C ATOM 262 CZ TYR A 28 21.651 2.984 5.469 1.00 30.14 C ATOM 263 OH TYR A 28 22.040 2.145 6.489 1.00 54.13 O ATOM 0 H TYR A 28 19.844 3.017 1.347 1.00 41.03 H new ATOM 0 HA TYR A 28 20.234 5.693 0.151 1.00 62.52 H new ATOM 0 HB2 TYR A 28 21.067 6.488 2.300 1.00 50.42 H new ATOM 0 HB3 TYR A 28 19.415 5.930 2.471 1.00 50.42 H new ATOM 0 HD1 TYR A 28 22.958 5.005 3.121 1.00 11.52 H new ATOM 0 HD2 TYR A 28 18.873 4.131 3.961 1.00 31.52 H new ATOM 0 HE1 TYR A 28 23.653 3.508 4.938 1.00 1.55 H new ATOM 0 HE2 TYR A 28 19.566 2.637 5.782 1.00 31.23 H new ATOM 0 HH TYR A 28 22.249 1.260 6.123 1.00 54.13 H new ATOM 273 N PRO A 29 22.765 5.407 0.101 1.00 23.12 N ATOM 274 CA PRO A 29 24.165 5.116 -0.223 1.00 50.13 C ATOM 275 C PRO A 29 25.018 4.910 1.023 1.00 23.05 C ATOM 276 O PRO A 29 25.255 5.845 1.789 1.00 52.41 O ATOM 277 CB PRO A 29 24.620 6.365 -0.982 1.00 41.03 C ATOM 278 CG PRO A 29 23.724 7.451 -0.496 1.00 1.31 C ATOM 279 CD PRO A 29 22.400 6.799 -0.210 1.00 52.01 C ATOM 0 HA PRO A 29 24.268 4.193 -0.793 1.00 50.13 H new ATOM 0 HB2 PRO A 29 25.666 6.593 -0.777 1.00 41.03 H new ATOM 0 HB3 PRO A 29 24.528 6.229 -2.060 1.00 41.03 H new ATOM 0 HG2 PRO A 29 24.130 7.920 0.401 1.00 1.31 H new ATOM 0 HG3 PRO A 29 23.619 8.235 -1.246 1.00 1.31 H new ATOM 0 HD2 PRO A 29 21.889 7.277 0.626 1.00 52.01 H new ATOM 0 HD3 PRO A 29 21.730 6.857 -1.068 1.00 52.01 H new ATOM 287 N THR A 30 25.480 3.679 1.223 1.00 55.12 N ATOM 288 CA THR A 30 26.306 3.350 2.377 1.00 2.10 C ATOM 289 C THR A 30 27.614 4.133 2.357 1.00 22.35 C ATOM 290 O THR A 30 27.807 5.057 3.147 1.00 43.33 O ATOM 291 CB THR A 30 26.623 1.844 2.430 1.00 21.31 C ATOM 292 OG1 THR A 30 25.735 1.125 1.567 1.00 52.53 O ATOM 293 CG2 THR A 30 26.497 1.314 3.850 1.00 32.34 C ATOM 0 H THR A 30 25.295 2.893 0.599 1.00 55.12 H new ATOM 0 HA THR A 30 25.735 3.624 3.264 1.00 2.10 H new ATOM 0 HB THR A 30 27.650 1.700 2.095 1.00 21.31 H new ATOM 0 HG1 THR A 30 25.591 0.223 1.923 1.00 52.53 H new ATOM 0 HG21 THR A 30 26.726 0.248 3.862 1.00 32.34 H new ATOM 0 HG22 THR A 30 27.195 1.842 4.499 1.00 32.34 H new ATOM 0 HG23 THR A 30 25.479 1.471 4.208 1.00 32.34 H new ATOM 301 N SER A 31 28.510 3.757 1.450 1.00 31.43 N ATOM 302 CA SER A 31 29.802 4.422 1.330 1.00 30.11 C ATOM 303 C SER A 31 29.882 5.223 0.034 1.00 22.21 C ATOM 304 O SER A 31 29.006 5.126 -0.824 1.00 34.54 O ATOM 305 CB SER A 31 30.935 3.395 1.379 1.00 32.22 C ATOM 306 OG SER A 31 31.536 3.359 2.662 1.00 15.02 O ATOM 0 H SER A 31 28.365 2.995 0.787 1.00 31.43 H new ATOM 0 HA SER A 31 29.908 5.110 2.169 1.00 30.11 H new ATOM 0 HB2 SER A 31 30.546 2.408 1.128 1.00 32.22 H new ATOM 0 HB3 SER A 31 31.686 3.642 0.629 1.00 32.22 H new ATOM 0 HG SER A 31 32.256 2.694 2.668 1.00 15.02 H new ATOM 312 N ASN A 32 30.941 6.015 -0.100 1.00 61.32 N ATOM 313 CA ASN A 32 31.137 6.834 -1.291 1.00 30.31 C ATOM 314 C ASN A 32 31.171 5.968 -2.547 1.00 15.31 C ATOM 315 O ASN A 32 30.464 6.238 -3.518 1.00 2.11 O ATOM 316 CB ASN A 32 32.435 7.636 -1.176 1.00 32.22 C ATOM 317 CG ASN A 32 32.187 9.130 -1.108 1.00 12.34 C ATOM 318 OD1 ASN A 32 32.134 9.809 -2.133 1.00 53.41 O ATOM 319 ND2 ASN A 32 32.034 9.650 0.105 1.00 73.21 N ATOM 0 H ASN A 32 31.676 6.107 0.601 1.00 61.32 H new ATOM 0 HA ASN A 32 30.297 7.524 -1.369 1.00 30.31 H new ATOM 0 HB2 ASN A 32 32.977 7.319 -0.285 1.00 32.22 H new ATOM 0 HB3 ASN A 32 33.073 7.415 -2.032 1.00 32.22 H new ATOM 0 HD21 ASN A 32 31.865 10.650 0.214 1.00 73.21 H new ATOM 0 HD22 ASN A 32 32.086 9.049 0.928 1.00 73.21 H new ATOM 326 N ALA A 33 31.996 4.927 -2.520 1.00 11.14 N ATOM 327 CA ALA A 33 32.120 4.020 -3.654 1.00 52.42 C ATOM 328 C ALA A 33 31.223 2.799 -3.482 1.00 10.34 C ATOM 329 O ALA A 33 30.393 2.499 -4.340 1.00 71.42 O ATOM 330 CB ALA A 33 33.569 3.592 -3.832 1.00 0.50 C ATOM 0 H ALA A 33 32.589 4.691 -1.724 1.00 11.14 H new ATOM 0 HA ALA A 33 31.797 4.552 -4.549 1.00 52.42 H new ATOM 0 HB1 ALA A 33 33.646 2.915 -4.683 1.00 0.50 H new ATOM 0 HB2 ALA A 33 34.189 4.471 -4.010 1.00 0.50 H new ATOM 0 HB3 ALA A 33 33.911 3.083 -2.931 1.00 0.50 H new ATOM 336 N THR A 34 31.395 2.097 -2.366 1.00 65.10 N ATOM 337 CA THR A 34 30.603 0.907 -2.082 1.00 2.13 C ATOM 338 C THR A 34 30.751 0.483 -0.625 1.00 11.31 C ATOM 339 O THR A 34 31.741 0.809 0.029 1.00 51.04 O ATOM 340 CB THR A 34 31.009 -0.269 -2.990 1.00 44.43 C ATOM 341 OG1 THR A 34 30.425 -1.484 -2.509 1.00 61.11 O ATOM 342 CG2 THR A 34 32.523 -0.414 -3.043 1.00 52.33 C ATOM 0 H THR A 34 32.076 2.332 -1.644 1.00 65.10 H new ATOM 0 HA THR A 34 29.563 1.166 -2.279 1.00 2.13 H new ATOM 0 HB THR A 34 30.644 -0.065 -3.997 1.00 44.43 H new ATOM 0 HG1 THR A 34 30.687 -2.226 -3.093 1.00 61.11 H new ATOM 0 HG21 THR A 34 32.786 -1.251 -3.690 1.00 52.33 H new ATOM 0 HG22 THR A 34 32.963 0.502 -3.438 1.00 52.33 H new ATOM 0 HG23 THR A 34 32.906 -0.597 -2.039 1.00 52.33 H new ATOM 350 N ASN A 35 29.760 -0.246 -0.122 1.00 53.41 N ATOM 351 CA ASN A 35 29.780 -0.714 1.259 1.00 61.32 C ATOM 352 C ASN A 35 30.788 -1.846 1.434 1.00 3.13 C ATOM 353 O ASN A 35 30.942 -2.697 0.558 1.00 64.30 O ATOM 354 CB ASN A 35 28.387 -1.187 1.679 1.00 21.52 C ATOM 355 CG ASN A 35 28.393 -1.874 3.031 1.00 4.25 C ATOM 356 OD1 ASN A 35 27.822 -2.952 3.195 1.00 23.14 O ATOM 357 ND2 ASN A 35 29.041 -1.250 4.008 1.00 2.15 N ATOM 0 H ASN A 35 28.933 -0.525 -0.650 1.00 53.41 H new ATOM 0 HA ASN A 35 30.081 0.119 1.895 1.00 61.32 H new ATOM 0 HB2 ASN A 35 27.711 -0.333 1.712 1.00 21.52 H new ATOM 0 HB3 ASN A 35 27.997 -1.874 0.927 1.00 21.52 H new ATOM 0 HD21 ASN A 35 29.079 -1.663 4.940 1.00 2.15 H new ATOM 0 HD22 ASN A 35 29.500 -0.357 3.827 1.00 2.15 H new ATOM 364 N THR A 36 31.473 -1.850 2.574 1.00 43.53 N ATOM 365 CA THR A 36 32.467 -2.875 2.865 1.00 71.12 C ATOM 366 C THR A 36 32.139 -3.605 4.162 1.00 25.33 C ATOM 367 O THR A 36 31.498 -3.050 5.055 1.00 42.34 O ATOM 368 CB THR A 36 33.881 -2.274 2.970 1.00 10.55 C ATOM 369 OG1 THR A 36 33.912 -0.984 2.349 1.00 3.33 O ATOM 370 CG2 THR A 36 34.907 -3.184 2.313 1.00 51.15 C ATOM 0 H THR A 36 31.357 -1.154 3.311 1.00 43.53 H new ATOM 0 HA THR A 36 32.443 -3.583 2.036 1.00 71.12 H new ATOM 0 HB THR A 36 34.132 -2.175 4.026 1.00 10.55 H new ATOM 0 HG1 THR A 36 34.814 -0.608 2.421 1.00 3.33 H new ATOM 0 HG21 THR A 36 35.898 -2.738 2.400 1.00 51.15 H new ATOM 0 HG22 THR A 36 34.902 -4.155 2.808 1.00 51.15 H new ATOM 0 HG23 THR A 36 34.658 -3.312 1.260 1.00 51.15 H new ATOM 378 N CYS A 37 32.584 -4.854 4.262 1.00 42.43 N ATOM 379 CA CYS A 37 32.339 -5.661 5.451 1.00 51.24 C ATOM 380 C CYS A 37 33.579 -6.467 5.826 1.00 71.21 C ATOM 381 O CYS A 37 33.848 -7.519 5.245 1.00 0.01 O ATOM 382 CB CYS A 37 31.156 -6.603 5.218 1.00 12.40 C ATOM 383 SG CYS A 37 30.714 -7.613 6.668 1.00 71.43 S ATOM 0 H CYS A 37 33.116 -5.329 3.533 1.00 42.43 H new ATOM 0 HA CYS A 37 32.102 -4.988 6.275 1.00 51.24 H new ATOM 0 HB2 CYS A 37 30.289 -6.013 4.921 1.00 12.40 H new ATOM 0 HB3 CYS A 37 31.391 -7.266 4.385 1.00 12.40 H new ATOM 388 N PHE A 38 34.330 -5.967 6.801 1.00 45.11 N ATOM 389 CA PHE A 38 35.542 -6.640 7.254 1.00 44.41 C ATOM 390 C PHE A 38 36.453 -6.973 6.075 1.00 14.43 C ATOM 391 O PHE A 38 36.759 -8.137 5.823 1.00 74.03 O ATOM 392 CB PHE A 38 35.187 -7.918 8.016 1.00 61.25 C ATOM 393 CG PHE A 38 34.284 -7.684 9.192 1.00 10.55 C ATOM 394 CD1 PHE A 38 34.289 -6.467 9.855 1.00 42.53 C ATOM 395 CD2 PHE A 38 33.430 -8.680 9.637 1.00 62.20 C ATOM 396 CE1 PHE A 38 33.459 -6.247 10.938 1.00 61.10 C ATOM 397 CE2 PHE A 38 32.598 -8.466 10.719 1.00 33.52 C ATOM 398 CZ PHE A 38 32.613 -7.249 11.371 1.00 0.13 C ATOM 0 H PHE A 38 34.121 -5.098 7.293 1.00 45.11 H new ATOM 0 HA PHE A 38 36.075 -5.963 7.922 1.00 44.41 H new ATOM 0 HB2 PHE A 38 34.706 -8.617 7.332 1.00 61.25 H new ATOM 0 HB3 PHE A 38 36.106 -8.392 8.362 1.00 61.25 H new ATOM 0 HD1 PHE A 38 34.950 -5.681 9.521 1.00 42.53 H new ATOM 0 HD2 PHE A 38 33.414 -9.635 9.132 1.00 62.20 H new ATOM 0 HE1 PHE A 38 33.472 -5.293 11.445 1.00 61.10 H new ATOM 0 HE2 PHE A 38 31.936 -9.250 11.055 1.00 33.52 H new ATOM 0 HZ PHE A 38 31.964 -7.081 12.218 1.00 0.13 H new ATOM 408 N GLY A 39 36.882 -5.940 5.356 1.00 14.31 N ATOM 409 CA GLY A 39 37.752 -6.142 4.212 1.00 35.44 C ATOM 410 C GLY A 39 36.986 -6.530 2.963 1.00 32.51 C ATOM 411 O GLY A 39 37.111 -5.883 1.924 1.00 54.50 O ATOM 0 H GLY A 39 36.642 -4.967 5.545 1.00 14.31 H new ATOM 0 HA2 GLY A 39 38.314 -5.228 4.021 1.00 35.44 H new ATOM 0 HA3 GLY A 39 38.479 -6.920 4.445 1.00 35.44 H new ATOM 415 N SER A 40 36.192 -7.592 3.063 1.00 0.12 N ATOM 416 CA SER A 40 35.407 -8.069 1.931 1.00 62.04 C ATOM 417 C SER A 40 34.286 -7.090 1.595 1.00 2.25 C ATOM 418 O SER A 40 33.342 -6.920 2.368 1.00 44.14 O ATOM 419 CB SER A 40 34.820 -9.449 2.235 1.00 45.13 C ATOM 420 OG SER A 40 35.744 -10.476 1.918 1.00 34.54 O ATOM 0 H SER A 40 36.076 -8.138 3.917 1.00 0.12 H new ATOM 0 HA SER A 40 36.069 -8.146 1.069 1.00 62.04 H new ATOM 0 HB2 SER A 40 34.552 -9.509 3.290 1.00 45.13 H new ATOM 0 HB3 SER A 40 33.903 -9.592 1.664 1.00 45.13 H new ATOM 0 HG SER A 40 35.347 -11.348 2.123 1.00 34.54 H new ATOM 426 N LYS A 41 34.397 -6.447 0.438 1.00 61.22 N ATOM 427 CA LYS A 41 33.394 -5.485 -0.003 1.00 30.21 C ATOM 428 C LYS A 41 32.102 -6.191 -0.403 1.00 43.14 C ATOM 429 O LYS A 41 32.131 -7.267 -1.002 1.00 34.23 O ATOM 430 CB LYS A 41 33.926 -4.666 -1.181 1.00 2.22 C ATOM 431 CG LYS A 41 35.311 -4.089 -0.944 1.00 1.21 C ATOM 432 CD LYS A 41 35.351 -2.598 -1.233 1.00 50.33 C ATOM 433 CE LYS A 41 35.466 -2.322 -2.725 1.00 32.33 C ATOM 434 NZ LYS A 41 36.872 -2.432 -3.202 1.00 50.04 N ATOM 0 H LYS A 41 35.173 -6.575 -0.212 1.00 61.22 H new ATOM 0 HA LYS A 41 33.179 -4.815 0.829 1.00 30.21 H new ATOM 0 HB2 LYS A 41 33.952 -5.297 -2.069 1.00 2.22 H new ATOM 0 HB3 LYS A 41 33.233 -3.851 -1.389 1.00 2.22 H new ATOM 0 HG2 LYS A 41 35.609 -4.268 0.089 1.00 1.21 H new ATOM 0 HG3 LYS A 41 36.034 -4.603 -1.578 1.00 1.21 H new ATOM 0 HD2 LYS A 41 34.449 -2.126 -0.843 1.00 50.33 H new ATOM 0 HD3 LYS A 41 36.196 -2.148 -0.712 1.00 50.33 H new ATOM 0 HE2 LYS A 41 34.840 -3.026 -3.274 1.00 32.33 H new ATOM 0 HE3 LYS A 41 35.087 -1.323 -2.940 1.00 32.33 H new ATOM 0 HZ1 LYS A 41 36.908 -2.237 -4.223 1.00 50.04 H new ATOM 0 HZ2 LYS A 41 37.465 -1.743 -2.697 1.00 50.04 H new ATOM 0 HZ3 LYS A 41 37.226 -3.393 -3.020 1.00 50.04 H new ATOM 448 N LEU A 42 30.971 -5.578 -0.071 1.00 65.13 N ATOM 449 CA LEU A 42 29.668 -6.147 -0.398 1.00 25.11 C ATOM 450 C LEU A 42 29.298 -5.861 -1.850 1.00 31.34 C ATOM 451 O LEU A 42 29.738 -4.878 -2.446 1.00 72.44 O ATOM 452 CB LEU A 42 28.595 -5.583 0.535 1.00 44.11 C ATOM 453 CG LEU A 42 28.772 -5.888 2.023 1.00 51.51 C ATOM 454 CD1 LEU A 42 29.174 -7.340 2.226 1.00 31.04 C ATOM 455 CD2 LEU A 42 29.804 -4.955 2.639 1.00 24.04 C ATOM 0 H LEU A 42 30.930 -4.687 0.424 1.00 65.13 H new ATOM 0 HA LEU A 42 29.726 -7.227 -0.264 1.00 25.11 H new ATOM 0 HB2 LEU A 42 28.563 -4.501 0.408 1.00 44.11 H new ATOM 0 HB3 LEU A 42 27.626 -5.970 0.218 1.00 44.11 H new ATOM 0 HG LEU A 42 27.818 -5.724 2.524 1.00 51.51 H new ATOM 0 HD11 LEU A 42 29.295 -7.538 3.291 1.00 31.04 H new ATOM 0 HD12 LEU A 42 28.400 -7.992 1.821 1.00 31.04 H new ATOM 0 HD13 LEU A 42 30.116 -7.532 1.712 1.00 31.04 H new ATOM 0 HD21 LEU A 42 29.917 -5.186 3.698 1.00 24.04 H new ATOM 0 HD22 LEU A 42 30.761 -5.087 2.134 1.00 24.04 H new ATOM 0 HD23 LEU A 42 29.474 -3.922 2.526 1.00 24.04 H new ATOM 467 N PRO A 43 28.467 -6.739 -2.432 1.00 44.33 N ATOM 468 CA PRO A 43 28.017 -6.600 -3.820 1.00 72.44 C ATOM 469 C PRO A 43 27.063 -5.425 -4.006 1.00 30.31 C ATOM 470 O PRO A 43 26.694 -5.084 -5.130 1.00 33.41 O ATOM 471 CB PRO A 43 27.295 -7.923 -4.093 1.00 4.25 C ATOM 472 CG PRO A 43 26.852 -8.396 -2.751 1.00 44.31 C ATOM 473 CD PRO A 43 27.904 -7.933 -1.781 1.00 30.11 C ATOM 0 HA PRO A 43 28.846 -6.403 -4.499 1.00 72.44 H new ATOM 0 HB2 PRO A 43 26.447 -7.780 -4.763 1.00 4.25 H new ATOM 0 HB3 PRO A 43 27.958 -8.645 -4.568 1.00 4.25 H new ATOM 0 HG2 PRO A 43 25.876 -7.984 -2.494 1.00 44.31 H new ATOM 0 HG3 PRO A 43 26.754 -9.481 -2.732 1.00 44.31 H new ATOM 0 HD2 PRO A 43 27.476 -7.695 -0.807 1.00 30.11 H new ATOM 0 HD3 PRO A 43 28.664 -8.697 -1.617 1.00 30.11 H new ATOM 481 N TYR A 44 26.668 -4.809 -2.897 1.00 60.42 N ATOM 482 CA TYR A 44 25.755 -3.673 -2.938 1.00 23.11 C ATOM 483 C TYR A 44 26.417 -2.422 -2.367 1.00 73.33 C ATOM 484 O TYR A 44 27.342 -2.510 -1.561 1.00 41.10 O ATOM 485 CB TYR A 44 24.478 -3.990 -2.157 1.00 44.43 C ATOM 486 CG TYR A 44 24.711 -4.863 -0.945 1.00 14.52 C ATOM 487 CD1 TYR A 44 25.095 -4.309 0.270 1.00 32.05 C ATOM 488 CD2 TYR A 44 24.547 -6.240 -1.014 1.00 71.44 C ATOM 489 CE1 TYR A 44 25.309 -5.103 1.381 1.00 52.41 C ATOM 490 CE2 TYR A 44 24.757 -7.041 0.091 1.00 23.42 C ATOM 491 CZ TYR A 44 25.138 -6.468 1.286 1.00 23.04 C ATOM 492 OH TYR A 44 25.350 -7.263 2.390 1.00 42.34 O ATOM 0 H TYR A 44 26.966 -5.077 -1.959 1.00 60.42 H new ATOM 0 HA TYR A 44 25.498 -3.483 -3.980 1.00 23.11 H new ATOM 0 HB2 TYR A 44 24.016 -3.056 -1.838 1.00 44.43 H new ATOM 0 HB3 TYR A 44 23.770 -4.486 -2.821 1.00 44.43 H new ATOM 0 HD1 TYR A 44 25.229 -3.240 0.348 1.00 32.05 H new ATOM 0 HD2 TYR A 44 24.250 -6.693 -1.948 1.00 71.44 H new ATOM 0 HE1 TYR A 44 25.608 -4.657 2.318 1.00 52.41 H new ATOM 0 HE2 TYR A 44 24.624 -8.110 0.020 1.00 23.42 H new ATOM 0 HH TYR A 44 24.898 -6.872 3.167 1.00 42.34 H new ATOM 502 N GLU A 45 25.933 -1.259 -2.792 1.00 65.02 N ATOM 503 CA GLU A 45 26.478 0.010 -2.324 1.00 14.21 C ATOM 504 C GLU A 45 25.417 0.815 -1.579 1.00 54.42 C ATOM 505 O GLU A 45 25.674 1.930 -1.122 1.00 53.15 O ATOM 506 CB GLU A 45 27.018 0.824 -3.501 1.00 40.34 C ATOM 507 CG GLU A 45 25.931 1.412 -4.385 1.00 14.20 C ATOM 508 CD GLU A 45 26.173 1.152 -5.859 1.00 74.01 C ATOM 509 OE1 GLU A 45 27.350 1.003 -6.249 1.00 74.32 O ATOM 510 OE2 GLU A 45 25.186 1.098 -6.622 1.00 71.14 O ATOM 0 H GLU A 45 25.166 -1.169 -3.458 1.00 65.02 H new ATOM 0 HA GLU A 45 27.296 -0.206 -1.636 1.00 14.21 H new ATOM 0 HB2 GLU A 45 27.640 1.633 -3.117 1.00 40.34 H new ATOM 0 HB3 GLU A 45 27.662 0.187 -4.107 1.00 40.34 H new ATOM 0 HG2 GLU A 45 24.968 0.990 -4.099 1.00 14.20 H new ATOM 0 HG3 GLU A 45 25.871 2.487 -4.215 1.00 14.20 H new ATOM 517 N LEU A 46 24.223 0.244 -1.461 1.00 64.50 N ATOM 518 CA LEU A 46 23.122 0.907 -0.772 1.00 52.03 C ATOM 519 C LEU A 46 22.692 0.114 0.458 1.00 41.02 C ATOM 520 O LEU A 46 23.154 -1.005 0.679 1.00 33.45 O ATOM 521 CB LEU A 46 21.934 1.083 -1.720 1.00 1.30 C ATOM 522 CG LEU A 46 22.189 1.935 -2.964 1.00 72.01 C ATOM 523 CD1 LEU A 46 21.063 1.759 -3.971 1.00 14.51 C ATOM 524 CD2 LEU A 46 22.344 3.400 -2.585 1.00 12.54 C ATOM 0 H LEU A 46 23.993 -0.677 -1.834 1.00 64.50 H new ATOM 0 HA LEU A 46 23.468 1.888 -0.446 1.00 52.03 H new ATOM 0 HB2 LEU A 46 21.602 0.096 -2.042 1.00 1.30 H new ATOM 0 HB3 LEU A 46 21.112 1.529 -1.161 1.00 1.30 H new ATOM 0 HG LEU A 46 23.118 1.600 -3.426 1.00 72.01 H new ATOM 0 HD11 LEU A 46 21.261 2.373 -4.850 1.00 14.51 H new ATOM 0 HD12 LEU A 46 21.000 0.712 -4.267 1.00 14.51 H new ATOM 0 HD13 LEU A 46 20.120 2.066 -3.519 1.00 14.51 H new ATOM 0 HD21 LEU A 46 22.525 3.991 -3.483 1.00 12.54 H new ATOM 0 HD22 LEU A 46 21.433 3.748 -2.099 1.00 12.54 H new ATOM 0 HD23 LEU A 46 23.186 3.512 -1.901 1.00 12.54 H new ATOM 536 N SER A 47 21.804 0.701 1.254 1.00 41.33 N ATOM 537 CA SER A 47 21.313 0.050 2.463 1.00 52.35 C ATOM 538 C SER A 47 19.911 0.541 2.812 1.00 20.41 C ATOM 539 O SER A 47 19.536 1.667 2.486 1.00 72.43 O ATOM 540 CB SER A 47 22.264 0.314 3.632 1.00 71.15 C ATOM 541 OG SER A 47 21.601 0.154 4.874 1.00 42.50 O ATOM 0 H SER A 47 21.410 1.626 1.083 1.00 41.33 H new ATOM 0 HA SER A 47 21.268 -1.023 2.276 1.00 52.35 H new ATOM 0 HB2 SER A 47 23.111 -0.370 3.578 1.00 71.15 H new ATOM 0 HB3 SER A 47 22.665 1.325 3.558 1.00 71.15 H new ATOM 0 HG SER A 47 21.063 0.951 5.063 1.00 42.50 H new ATOM 547 N SER A 48 19.141 -0.314 3.478 1.00 1.14 N ATOM 548 CA SER A 48 17.779 0.029 3.870 1.00 40.43 C ATOM 549 C SER A 48 17.634 0.030 5.388 1.00 0.44 C ATOM 550 O SER A 48 17.575 -1.026 6.019 1.00 31.10 O ATOM 551 CB SER A 48 16.785 -0.956 3.252 1.00 53.42 C ATOM 552 OG SER A 48 15.450 -0.589 3.553 1.00 35.14 O ATOM 0 H SER A 48 19.437 -1.249 3.757 1.00 1.14 H new ATOM 0 HA SER A 48 17.563 1.032 3.502 1.00 40.43 H new ATOM 0 HB2 SER A 48 16.922 -0.986 2.171 1.00 53.42 H new ATOM 0 HB3 SER A 48 16.983 -1.960 3.627 1.00 53.42 H new ATOM 0 HG SER A 48 15.101 -0.013 2.841 1.00 35.14 H new ATOM 558 N LEU A 49 17.577 1.223 5.970 1.00 4.40 N ATOM 559 CA LEU A 49 17.439 1.364 7.415 1.00 2.24 C ATOM 560 C LEU A 49 16.152 0.708 7.906 1.00 43.41 C ATOM 561 O LEU A 49 16.062 0.280 9.056 1.00 33.34 O ATOM 562 CB LEU A 49 17.453 2.843 7.807 1.00 21.33 C ATOM 563 CG LEU A 49 17.919 3.156 9.230 1.00 62.24 C ATOM 564 CD1 LEU A 49 16.858 2.749 10.241 1.00 44.14 C ATOM 565 CD2 LEU A 49 19.237 2.455 9.525 1.00 21.24 C ATOM 0 H LEU A 49 17.624 2.107 5.463 1.00 4.40 H new ATOM 0 HA LEU A 49 18.284 0.862 7.886 1.00 2.24 H new ATOM 0 HB2 LEU A 49 18.098 3.377 7.109 1.00 21.33 H new ATOM 0 HB3 LEU A 49 16.446 3.242 7.680 1.00 21.33 H new ATOM 0 HG LEU A 49 18.076 4.231 9.313 1.00 62.24 H new ATOM 0 HD11 LEU A 49 17.207 2.979 11.248 1.00 44.14 H new ATOM 0 HD12 LEU A 49 15.937 3.297 10.042 1.00 44.14 H new ATOM 0 HD13 LEU A 49 16.668 1.679 10.159 1.00 44.14 H new ATOM 0 HD21 LEU A 49 19.554 2.689 10.541 1.00 21.24 H new ATOM 0 HD22 LEU A 49 19.107 1.378 9.424 1.00 21.24 H new ATOM 0 HD23 LEU A 49 19.996 2.796 8.821 1.00 21.24 H new ATOM 577 N ASP A 50 15.161 0.632 7.025 1.00 13.23 N ATOM 578 CA ASP A 50 13.879 0.025 7.367 1.00 4.42 C ATOM 579 C ASP A 50 14.063 -1.428 7.792 1.00 32.24 C ATOM 580 O ASP A 50 13.270 -1.964 8.568 1.00 70.11 O ATOM 581 CB ASP A 50 12.920 0.105 6.179 1.00 51.01 C ATOM 582 CG ASP A 50 11.487 -0.199 6.570 1.00 21.13 C ATOM 583 OD1 ASP A 50 11.097 -1.384 6.516 1.00 14.23 O ATOM 584 OD2 ASP A 50 10.756 0.748 6.930 1.00 61.33 O ATOM 0 H ASP A 50 15.220 0.983 6.069 1.00 13.23 H new ATOM 0 HA ASP A 50 13.454 0.579 8.204 1.00 4.42 H new ATOM 0 HB2 ASP A 50 12.970 1.102 5.742 1.00 51.01 H new ATOM 0 HB3 ASP A 50 13.240 -0.597 5.409 1.00 51.01 H new ATOM 589 N LEU A 51 15.112 -2.061 7.279 1.00 33.41 N ATOM 590 CA LEU A 51 15.399 -3.454 7.605 1.00 62.14 C ATOM 591 C LEU A 51 15.512 -3.649 9.113 1.00 0.42 C ATOM 592 O LEU A 51 15.300 -4.748 9.627 1.00 40.24 O ATOM 593 CB LEU A 51 16.694 -3.901 6.923 1.00 13.10 C ATOM 594 CG LEU A 51 16.693 -5.316 6.343 1.00 51.44 C ATOM 595 CD1 LEU A 51 16.167 -6.312 7.365 1.00 43.44 C ATOM 596 CD2 LEU A 51 15.863 -5.369 5.068 1.00 43.40 C ATOM 0 H LEU A 51 15.778 -1.632 6.636 1.00 33.41 H new ATOM 0 HA LEU A 51 14.573 -4.064 7.240 1.00 62.14 H new ATOM 0 HB2 LEU A 51 16.918 -3.200 6.119 1.00 13.10 H new ATOM 0 HB3 LEU A 51 17.506 -3.827 7.646 1.00 13.10 H new ATOM 0 HG LEU A 51 17.719 -5.588 6.097 1.00 51.44 H new ATOM 0 HD11 LEU A 51 16.174 -7.313 6.934 1.00 43.44 H new ATOM 0 HD12 LEU A 51 16.802 -6.294 8.251 1.00 43.44 H new ATOM 0 HD13 LEU A 51 15.148 -6.044 7.643 1.00 43.44 H new ATOM 0 HD21 LEU A 51 15.873 -6.383 4.669 1.00 43.40 H new ATOM 0 HD22 LEU A 51 14.837 -5.077 5.290 1.00 43.40 H new ATOM 0 HD23 LEU A 51 16.284 -4.685 4.331 1.00 43.40 H new ATOM 608 N THR A 52 15.846 -2.573 9.820 1.00 35.23 N ATOM 609 CA THR A 52 15.985 -2.625 11.270 1.00 4.10 C ATOM 610 C THR A 52 14.896 -1.809 11.957 1.00 61.11 C ATOM 611 O THR A 52 14.015 -1.255 11.300 1.00 50.33 O ATOM 612 CB THR A 52 17.363 -2.103 11.720 1.00 11.04 C ATOM 613 OG1 THR A 52 17.797 -1.052 10.850 1.00 64.42 O ATOM 614 CG2 THR A 52 18.391 -3.224 11.724 1.00 45.31 C ATOM 0 H THR A 52 16.025 -1.656 9.412 1.00 35.23 H new ATOM 0 HA THR A 52 15.888 -3.671 11.560 1.00 4.10 H new ATOM 0 HB THR A 52 17.267 -1.716 12.735 1.00 11.04 H new ATOM 0 HG1 THR A 52 18.170 -1.439 10.030 1.00 64.42 H new ATOM 0 HG21 THR A 52 19.356 -2.832 12.045 1.00 45.31 H new ATOM 0 HG22 THR A 52 18.072 -4.008 12.410 1.00 45.31 H new ATOM 0 HG23 THR A 52 18.483 -3.637 10.719 1.00 45.31 H new ATOM 622 N ASP A 53 14.963 -1.739 13.282 1.00 73.23 N ATOM 623 CA ASP A 53 13.982 -0.989 14.058 1.00 3.10 C ATOM 624 C ASP A 53 14.605 0.275 14.643 1.00 14.10 C ATOM 625 O ASP A 53 14.633 0.460 15.860 1.00 63.40 O ATOM 626 CB ASP A 53 13.415 -1.859 15.180 1.00 34.23 C ATOM 627 CG ASP A 53 12.038 -1.405 15.625 1.00 3.03 C ATOM 628 OD1 ASP A 53 11.255 -0.956 14.763 1.00 12.32 O ATOM 629 OD2 ASP A 53 11.745 -1.498 16.836 1.00 60.01 O ATOM 0 H ASP A 53 15.686 -2.192 13.841 1.00 73.23 H new ATOM 0 HA ASP A 53 13.171 -0.698 13.390 1.00 3.10 H new ATOM 0 HB2 ASP A 53 13.362 -2.894 14.842 1.00 34.23 H new ATOM 0 HB3 ASP A 53 14.095 -1.837 16.032 1.00 34.23 H new ATOM 634 N PHE A 54 15.103 1.143 13.768 1.00 20.43 N ATOM 635 CA PHE A 54 15.727 2.389 14.198 1.00 61.50 C ATOM 636 C PHE A 54 15.021 3.592 13.580 1.00 32.13 C ATOM 637 O PHE A 54 13.963 3.456 12.964 1.00 1.42 O ATOM 638 CB PHE A 54 17.208 2.400 13.815 1.00 44.41 C ATOM 639 CG PHE A 54 17.985 1.250 14.388 1.00 20.32 C ATOM 640 CD1 PHE A 54 18.155 1.125 15.758 1.00 50.14 C ATOM 641 CD2 PHE A 54 18.546 0.293 13.558 1.00 74.25 C ATOM 642 CE1 PHE A 54 18.869 0.067 16.288 1.00 12.25 C ATOM 643 CE2 PHE A 54 19.260 -0.767 14.083 1.00 60.44 C ATOM 644 CZ PHE A 54 19.423 -0.880 15.450 1.00 51.34 C ATOM 0 H PHE A 54 15.087 1.006 12.757 1.00 20.43 H new ATOM 0 HA PHE A 54 15.639 2.456 15.282 1.00 61.50 H new ATOM 0 HB2 PHE A 54 17.294 2.380 12.729 1.00 44.41 H new ATOM 0 HB3 PHE A 54 17.655 3.335 14.153 1.00 44.41 H new ATOM 0 HD1 PHE A 54 17.725 1.863 16.419 1.00 50.14 H new ATOM 0 HD2 PHE A 54 18.424 0.377 12.488 1.00 74.25 H new ATOM 0 HE1 PHE A 54 18.994 -0.019 17.357 1.00 12.25 H new ATOM 0 HE2 PHE A 54 19.691 -1.507 13.425 1.00 60.44 H new ATOM 0 HZ PHE A 54 19.982 -1.707 15.862 1.00 51.34 H new ATOM 654 N HIS A 55 15.613 4.770 13.750 1.00 21.33 N ATOM 655 CA HIS A 55 15.041 5.998 13.210 1.00 64.01 C ATOM 656 C HIS A 55 16.085 6.781 12.419 1.00 61.33 C ATOM 657 O HIS A 55 15.885 7.952 12.094 1.00 34.33 O ATOM 658 CB HIS A 55 14.484 6.866 14.339 1.00 72.44 C ATOM 659 CG HIS A 55 13.047 6.586 14.655 1.00 53.23 C ATOM 660 ND1 HIS A 55 12.632 5.468 15.346 1.00 30.34 N ATOM 661 CD2 HIS A 55 11.925 7.289 14.371 1.00 70.41 C ATOM 662 CE1 HIS A 55 11.317 5.493 15.473 1.00 42.41 C ATOM 663 NE2 HIS A 55 10.864 6.588 14.890 1.00 52.42 N ATOM 0 H HIS A 55 16.488 4.900 14.257 1.00 21.33 H new ATOM 0 HA HIS A 55 14.228 5.726 12.536 1.00 64.01 H new ATOM 0 HB2 HIS A 55 15.082 6.709 15.236 1.00 72.44 H new ATOM 0 HB3 HIS A 55 14.590 7.916 14.065 1.00 72.44 H new ATOM 0 HD2 HIS A 55 11.874 8.226 13.836 1.00 70.41 H new ATOM 0 HE1 HIS A 55 10.715 4.746 15.969 1.00 42.41 H new ATOM 0 HE2 HIS A 55 9.885 6.868 14.834 1.00 52.42 H new ATOM 671 N THR A 56 17.201 6.127 12.111 1.00 31.43 N ATOM 672 CA THR A 56 18.277 6.761 11.360 1.00 13.33 C ATOM 673 C THR A 56 19.456 5.812 11.181 1.00 40.34 C ATOM 674 O THR A 56 19.611 4.852 11.934 1.00 61.33 O ATOM 675 CB THR A 56 18.767 8.045 12.057 1.00 73.12 C ATOM 676 OG1 THR A 56 20.055 8.414 11.553 1.00 41.42 O ATOM 677 CG2 THR A 56 18.843 7.848 13.563 1.00 24.42 C ATOM 0 H THR A 56 17.383 5.158 12.371 1.00 31.43 H new ATOM 0 HA THR A 56 17.871 7.019 10.382 1.00 13.33 H new ATOM 0 HB THR A 56 18.053 8.842 11.847 1.00 73.12 H new ATOM 0 HG1 THR A 56 20.005 9.306 11.149 1.00 41.42 H new ATOM 0 HG21 THR A 56 19.191 8.768 14.033 1.00 24.42 H new ATOM 0 HG22 THR A 56 17.855 7.596 13.947 1.00 24.42 H new ATOM 0 HG23 THR A 56 19.538 7.039 13.790 1.00 24.42 H new ATOM 685 N GLU A 57 20.285 6.089 10.179 1.00 71.23 N ATOM 686 CA GLU A 57 21.451 5.258 9.901 1.00 33.02 C ATOM 687 C GLU A 57 22.392 5.223 11.102 1.00 41.23 C ATOM 688 O GLU A 57 22.897 4.166 11.479 1.00 32.45 O ATOM 689 CB GLU A 57 22.195 5.780 8.670 1.00 21.44 C ATOM 690 CG GLU A 57 21.286 6.077 7.490 1.00 52.30 C ATOM 691 CD GLU A 57 21.287 7.545 7.108 1.00 23.21 C ATOM 692 OE1 GLU A 57 21.245 8.396 8.021 1.00 52.04 O ATOM 693 OE2 GLU A 57 21.331 7.842 5.896 1.00 62.53 O ATOM 0 H GLU A 57 20.171 6.881 9.547 1.00 71.23 H new ATOM 0 HA GLU A 57 21.104 4.244 9.703 1.00 33.02 H new ATOM 0 HB2 GLU A 57 22.734 6.688 8.940 1.00 21.44 H new ATOM 0 HB3 GLU A 57 22.940 5.045 8.367 1.00 21.44 H new ATOM 0 HG2 GLU A 57 21.603 5.482 6.633 1.00 52.30 H new ATOM 0 HG3 GLU A 57 20.269 5.769 7.733 1.00 52.30 H new ATOM 700 N LYS A 58 22.625 6.388 11.697 1.00 32.15 N ATOM 701 CA LYS A 58 23.504 6.493 12.855 1.00 5.25 C ATOM 702 C LYS A 58 23.078 5.523 13.953 1.00 41.23 C ATOM 703 O LYS A 58 23.915 4.984 14.676 1.00 41.20 O ATOM 704 CB LYS A 58 23.501 7.925 13.396 1.00 34.11 C ATOM 705 CG LYS A 58 22.206 8.310 14.090 1.00 35.52 C ATOM 706 CD LYS A 58 21.856 9.769 13.850 1.00 70.41 C ATOM 707 CE LYS A 58 21.339 10.434 15.116 1.00 34.31 C ATOM 708 NZ LYS A 58 22.330 11.386 15.687 1.00 4.33 N ATOM 0 H LYS A 58 22.217 7.273 11.396 1.00 32.15 H new ATOM 0 HA LYS A 58 24.514 6.233 12.537 1.00 5.25 H new ATOM 0 HB2 LYS A 58 24.328 8.041 14.097 1.00 34.11 H new ATOM 0 HB3 LYS A 58 23.682 8.616 12.573 1.00 34.11 H new ATOM 0 HG2 LYS A 58 21.396 7.677 13.728 1.00 35.52 H new ATOM 0 HG3 LYS A 58 22.298 8.129 15.161 1.00 35.52 H new ATOM 0 HD2 LYS A 58 22.737 10.301 13.492 1.00 70.41 H new ATOM 0 HD3 LYS A 58 21.101 9.839 13.067 1.00 70.41 H new ATOM 0 HE2 LYS A 58 20.412 10.964 14.895 1.00 34.31 H new ATOM 0 HE3 LYS A 58 21.101 9.670 15.856 1.00 34.31 H new ATOM 0 HZ1 LYS A 58 21.940 11.818 16.549 1.00 4.33 H new ATOM 0 HZ2 LYS A 58 23.206 10.876 15.921 1.00 4.33 H new ATOM 0 HZ3 LYS A 58 22.538 12.130 14.990 1.00 4.33 H new ATOM 722 N GLU A 59 21.772 5.305 14.069 1.00 51.11 N ATOM 723 CA GLU A 59 21.236 4.399 15.078 1.00 62.10 C ATOM 724 C GLU A 59 21.648 2.958 14.789 1.00 1.20 C ATOM 725 O GLU A 59 21.972 2.198 15.702 1.00 34.24 O ATOM 726 CB GLU A 59 19.711 4.504 15.131 1.00 33.14 C ATOM 727 CG GLU A 59 19.200 5.381 16.262 1.00 41.20 C ATOM 728 CD GLU A 59 18.629 4.576 17.413 1.00 55.03 C ATOM 729 OE1 GLU A 59 19.270 3.586 17.821 1.00 22.31 O ATOM 730 OE2 GLU A 59 17.539 4.937 17.905 1.00 10.10 O ATOM 0 H GLU A 59 21.066 5.743 13.477 1.00 51.11 H new ATOM 0 HA GLU A 59 21.647 4.689 16.045 1.00 62.10 H new ATOM 0 HB2 GLU A 59 19.349 4.901 14.183 1.00 33.14 H new ATOM 0 HB3 GLU A 59 19.290 3.504 15.239 1.00 33.14 H new ATOM 0 HG2 GLU A 59 20.015 6.005 16.629 1.00 41.20 H new ATOM 0 HG3 GLU A 59 18.432 6.053 15.877 1.00 41.20 H new ATOM 737 N LEU A 60 21.633 2.590 13.513 1.00 60.31 N ATOM 738 CA LEU A 60 22.004 1.240 13.102 1.00 42.02 C ATOM 739 C LEU A 60 23.491 0.990 13.333 1.00 60.00 C ATOM 740 O LEU A 60 23.880 -0.044 13.874 1.00 33.12 O ATOM 741 CB LEU A 60 21.662 1.023 11.627 1.00 61.32 C ATOM 742 CG LEU A 60 21.563 -0.433 11.168 1.00 14.43 C ATOM 743 CD1 LEU A 60 20.871 -0.520 9.817 1.00 72.42 C ATOM 744 CD2 LEU A 60 22.944 -1.067 11.105 1.00 61.45 C ATOM 0 H LEU A 60 21.368 3.207 12.745 1.00 60.31 H new ATOM 0 HA LEU A 60 21.437 0.533 13.708 1.00 42.02 H new ATOM 0 HB2 LEU A 60 20.711 1.514 11.419 1.00 61.32 H new ATOM 0 HB3 LEU A 60 22.418 1.523 11.022 1.00 61.32 H new ATOM 0 HG LEU A 60 20.966 -0.984 11.895 1.00 14.43 H new ATOM 0 HD11 LEU A 60 20.809 -1.563 9.506 1.00 72.42 H new ATOM 0 HD12 LEU A 60 19.866 -0.105 9.895 1.00 72.42 H new ATOM 0 HD13 LEU A 60 21.441 0.045 9.079 1.00 72.42 H new ATOM 0 HD21 LEU A 60 22.854 -2.103 10.777 1.00 61.45 H new ATOM 0 HD22 LEU A 60 23.566 -0.515 10.400 1.00 61.45 H new ATOM 0 HD23 LEU A 60 23.403 -1.038 12.093 1.00 61.45 H new ATOM 756 N ASN A 61 24.318 1.946 12.920 1.00 33.55 N ATOM 757 CA ASN A 61 25.762 1.830 13.084 1.00 22.41 C ATOM 758 C ASN A 61 26.156 1.964 14.552 1.00 51.20 C ATOM 759 O ASN A 61 27.173 1.423 14.985 1.00 64.44 O ATOM 760 CB ASN A 61 26.478 2.896 12.253 1.00 52.23 C ATOM 761 CG ASN A 61 26.727 2.446 10.826 1.00 11.41 C ATOM 762 OD1 ASN A 61 26.428 3.168 9.875 1.00 52.33 O ATOM 763 ND2 ASN A 61 27.277 1.248 10.671 1.00 30.33 N ATOM 0 H ASN A 61 24.012 2.809 12.470 1.00 33.55 H new ATOM 0 HA ASN A 61 26.064 0.843 12.734 1.00 22.41 H new ATOM 0 HB2 ASN A 61 25.881 3.808 12.245 1.00 52.23 H new ATOM 0 HB3 ASN A 61 27.429 3.142 12.725 1.00 52.23 H new ATOM 0 HD21 ASN A 61 27.468 0.892 9.734 1.00 30.33 H new ATOM 0 HD22 ASN A 61 27.509 0.683 11.488 1.00 30.33 H new ATOM 770 N ASP A 62 25.343 2.689 15.313 1.00 70.14 N ATOM 771 CA ASP A 62 25.605 2.894 16.733 1.00 73.44 C ATOM 772 C ASP A 62 25.271 1.639 17.533 1.00 33.22 C ATOM 773 O ASP A 62 26.001 1.261 18.449 1.00 24.51 O ATOM 774 CB ASP A 62 24.793 4.079 17.257 1.00 40.21 C ATOM 775 CG ASP A 62 24.705 4.096 18.770 1.00 13.43 C ATOM 776 OD1 ASP A 62 25.678 4.537 19.417 1.00 44.12 O ATOM 777 OD2 ASP A 62 23.662 3.670 19.308 1.00 13.01 O ATOM 0 H ASP A 62 24.497 3.144 14.970 1.00 70.14 H new ATOM 0 HA ASP A 62 26.667 3.109 16.855 1.00 73.44 H new ATOM 0 HB2 ASP A 62 25.247 5.008 16.912 1.00 40.21 H new ATOM 0 HB3 ASP A 62 23.788 4.041 16.838 1.00 40.21 H new ATOM 782 N LYS A 63 24.161 0.997 17.182 1.00 3.34 N ATOM 783 CA LYS A 63 23.729 -0.215 17.867 1.00 21.31 C ATOM 784 C LYS A 63 24.813 -1.287 17.811 1.00 33.33 C ATOM 785 O LYS A 63 24.941 -2.103 18.725 1.00 74.51 O ATOM 786 CB LYS A 63 22.438 -0.747 17.240 1.00 1.14 C ATOM 787 CG LYS A 63 22.024 -2.111 17.765 1.00 41.11 C ATOM 788 CD LYS A 63 21.992 -3.149 16.656 1.00 41.24 C ATOM 789 CE LYS A 63 23.254 -3.998 16.650 1.00 42.42 C ATOM 790 NZ LYS A 63 22.947 -5.449 16.776 1.00 31.20 N ATOM 0 H LYS A 63 23.544 1.297 16.427 1.00 3.34 H new ATOM 0 HA LYS A 63 23.543 0.034 18.912 1.00 21.31 H new ATOM 0 HB2 LYS A 63 21.633 -0.036 17.427 1.00 1.14 H new ATOM 0 HB3 LYS A 63 22.567 -0.807 16.159 1.00 1.14 H new ATOM 0 HG2 LYS A 63 22.719 -2.429 18.542 1.00 41.11 H new ATOM 0 HG3 LYS A 63 21.039 -2.040 18.227 1.00 41.11 H new ATOM 0 HD2 LYS A 63 21.121 -3.792 16.783 1.00 41.24 H new ATOM 0 HD3 LYS A 63 21.883 -2.651 15.693 1.00 41.24 H new ATOM 0 HE2 LYS A 63 23.805 -3.822 15.726 1.00 42.42 H new ATOM 0 HE3 LYS A 63 23.902 -3.691 17.471 1.00 42.42 H new ATOM 0 HZ1 LYS A 63 23.828 -5.977 16.938 1.00 31.20 H new ATOM 0 HZ2 LYS A 63 22.301 -5.599 17.577 1.00 31.20 H new ATOM 0 HZ3 LYS A 63 22.497 -5.786 15.901 1.00 31.20 H new ATOM 804 N LEU A 64 25.592 -1.279 16.735 1.00 35.21 N ATOM 805 CA LEU A 64 26.666 -2.250 16.561 1.00 21.30 C ATOM 806 C LEU A 64 27.556 -2.305 17.798 1.00 22.35 C ATOM 807 O LEU A 64 28.067 -3.364 18.161 1.00 43.02 O ATOM 808 CB LEU A 64 27.504 -1.898 15.331 1.00 5.31 C ATOM 809 CG LEU A 64 27.231 -2.723 14.073 1.00 15.41 C ATOM 810 CD1 LEU A 64 26.458 -1.900 13.053 1.00 32.44 C ATOM 811 CD2 LEU A 64 28.534 -3.230 13.474 1.00 71.50 C ATOM 0 H LEU A 64 25.500 -0.611 15.970 1.00 35.21 H new ATOM 0 HA LEU A 64 26.215 -3.232 16.417 1.00 21.30 H new ATOM 0 HB2 LEU A 64 27.341 -0.847 15.094 1.00 5.31 H new ATOM 0 HB3 LEU A 64 28.557 -2.006 15.591 1.00 5.31 H new ATOM 0 HG LEU A 64 26.623 -3.584 14.351 1.00 15.41 H new ATOM 0 HD11 LEU A 64 26.273 -2.503 12.164 1.00 32.44 H new ATOM 0 HD12 LEU A 64 25.507 -1.587 13.484 1.00 32.44 H new ATOM 0 HD13 LEU A 64 27.040 -1.020 12.779 1.00 32.44 H new ATOM 0 HD21 LEU A 64 28.320 -3.815 12.580 1.00 71.50 H new ATOM 0 HD22 LEU A 64 29.167 -2.383 13.211 1.00 71.50 H new ATOM 0 HD23 LEU A 64 29.050 -3.856 14.202 1.00 71.50 H new ATOM 823 N ASN A 65 27.735 -1.157 18.444 1.00 60.31 N ATOM 824 CA ASN A 65 28.562 -1.075 19.642 1.00 20.14 C ATOM 825 C ASN A 65 28.077 -2.055 20.706 1.00 22.42 C ATOM 826 O ASN A 65 28.879 -2.666 21.413 1.00 34.43 O ATOM 827 CB ASN A 65 28.547 0.349 20.201 1.00 42.32 C ATOM 828 CG ASN A 65 29.495 1.271 19.459 1.00 43.25 C ATOM 829 OD1 ASN A 65 30.674 0.959 19.285 1.00 14.23 O ATOM 830 ND2 ASN A 65 28.984 2.414 19.016 1.00 11.13 N ATOM 0 H ASN A 65 27.318 -0.271 18.158 1.00 60.31 H new ATOM 0 HA ASN A 65 29.583 -1.340 19.367 1.00 20.14 H new ATOM 0 HB2 ASN A 65 27.535 0.749 20.142 1.00 42.32 H new ATOM 0 HB3 ASN A 65 28.819 0.325 21.256 1.00 42.32 H new ATOM 0 HD21 ASN A 65 29.574 3.074 18.509 1.00 11.13 H new ATOM 0 HD22 ASN A 65 28.002 2.632 19.183 1.00 11.13 H new ATOM 837 N ASP A 66 26.761 -2.200 20.813 1.00 20.41 N ATOM 838 CA ASP A 66 26.169 -3.108 21.789 1.00 14.31 C ATOM 839 C ASP A 66 26.611 -4.545 21.534 1.00 43.02 C ATOM 840 O ASP A 66 27.104 -5.223 22.436 1.00 44.24 O ATOM 841 CB ASP A 66 24.643 -3.015 21.743 1.00 74.04 C ATOM 842 CG ASP A 66 24.059 -2.436 23.016 1.00 33.34 C ATOM 843 OD1 ASP A 66 24.420 -2.922 24.108 1.00 4.24 O ATOM 844 OD2 ASP A 66 23.239 -1.498 22.921 1.00 23.43 O ATOM 0 H ASP A 66 26.084 -1.701 20.236 1.00 20.41 H new ATOM 0 HA ASP A 66 26.514 -2.812 22.780 1.00 14.31 H new ATOM 0 HB2 ASP A 66 24.345 -2.397 20.896 1.00 74.04 H new ATOM 0 HB3 ASP A 66 24.226 -4.008 21.575 1.00 74.04 H new ATOM 849 N TYR A 67 26.431 -5.004 20.300 1.00 1.33 N ATOM 850 CA TYR A 67 26.809 -6.362 19.927 1.00 14.31 C ATOM 851 C TYR A 67 28.323 -6.540 19.978 1.00 50.41 C ATOM 852 O TYR A 67 28.822 -7.634 20.242 1.00 5.42 O ATOM 853 CB TYR A 67 26.292 -6.690 18.525 1.00 21.13 C ATOM 854 CG TYR A 67 27.390 -6.862 17.500 1.00 22.23 C ATOM 855 CD1 TYR A 67 28.072 -8.067 17.379 1.00 40.41 C ATOM 856 CD2 TYR A 67 27.745 -5.820 16.652 1.00 22.23 C ATOM 857 CE1 TYR A 67 29.076 -8.228 16.444 1.00 4.24 C ATOM 858 CE2 TYR A 67 28.747 -5.973 15.714 1.00 43.22 C ATOM 859 CZ TYR A 67 29.410 -7.178 15.614 1.00 23.20 C ATOM 860 OH TYR A 67 30.409 -7.335 14.681 1.00 63.32 O ATOM 0 H TYR A 67 26.026 -4.456 19.541 1.00 1.33 H new ATOM 0 HA TYR A 67 26.357 -7.048 20.644 1.00 14.31 H new ATOM 0 HB2 TYR A 67 25.701 -7.605 18.569 1.00 21.13 H new ATOM 0 HB3 TYR A 67 25.623 -5.894 18.198 1.00 21.13 H new ATOM 0 HD1 TYR A 67 27.813 -8.891 18.027 1.00 40.41 H new ATOM 0 HD2 TYR A 67 27.229 -4.874 16.728 1.00 22.23 H new ATOM 0 HE1 TYR A 67 29.597 -9.171 16.363 1.00 4.24 H new ATOM 0 HE2 TYR A 67 29.010 -5.153 15.062 1.00 43.22 H new ATOM 0 HH TYR A 67 31.100 -7.931 15.039 1.00 63.32 H new ATOM 870 N TYR A 68 29.048 -5.456 19.724 1.00 71.15 N ATOM 871 CA TYR A 68 30.506 -5.491 19.738 1.00 35.01 C ATOM 872 C TYR A 68 31.022 -6.161 21.008 1.00 72.34 C ATOM 873 O TYR A 68 32.021 -6.879 20.981 1.00 32.35 O ATOM 874 CB TYR A 68 31.072 -4.074 19.630 1.00 74.12 C ATOM 875 CG TYR A 68 31.762 -3.797 18.314 1.00 65.03 C ATOM 876 CD1 TYR A 68 31.053 -3.804 17.119 1.00 3.01 C ATOM 877 CD2 TYR A 68 33.125 -3.527 18.265 1.00 33.23 C ATOM 878 CE1 TYR A 68 31.681 -3.552 15.914 1.00 32.15 C ATOM 879 CE2 TYR A 68 33.760 -3.273 17.065 1.00 3.33 C ATOM 880 CZ TYR A 68 33.034 -3.287 15.893 1.00 41.23 C ATOM 881 OH TYR A 68 33.663 -3.034 14.695 1.00 74.01 O ATOM 0 H TYR A 68 28.650 -4.542 19.506 1.00 71.15 H new ATOM 0 HA TYR A 68 30.839 -6.074 18.880 1.00 35.01 H new ATOM 0 HB2 TYR A 68 30.262 -3.357 19.764 1.00 74.12 H new ATOM 0 HB3 TYR A 68 31.780 -3.911 20.443 1.00 74.12 H new ATOM 0 HD1 TYR A 68 29.993 -4.010 17.132 1.00 3.01 H new ATOM 0 HD2 TYR A 68 33.697 -3.516 19.181 1.00 33.23 H new ATOM 0 HE1 TYR A 68 31.115 -3.563 14.994 1.00 32.15 H new ATOM 0 HE2 TYR A 68 34.820 -3.065 17.045 1.00 3.33 H new ATOM 0 HH TYR A 68 34.615 -2.865 14.855 1.00 74.01 H new ATOM 891 N ALA A 69 30.332 -5.921 22.118 1.00 61.30 N ATOM 892 CA ALA A 69 30.718 -6.503 23.398 1.00 52.04 C ATOM 893 C ALA A 69 30.845 -8.019 23.295 1.00 21.14 C ATOM 894 O ALA A 69 31.638 -8.635 24.009 1.00 72.42 O ATOM 895 CB ALA A 69 29.710 -6.127 24.473 1.00 35.34 C ATOM 0 H ALA A 69 29.503 -5.328 22.157 1.00 61.30 H new ATOM 0 HA ALA A 69 31.693 -6.101 23.674 1.00 52.04 H new ATOM 0 HB1 ALA A 69 30.010 -6.568 25.424 1.00 35.34 H new ATOM 0 HB2 ALA A 69 29.672 -5.042 24.572 1.00 35.34 H new ATOM 0 HB3 ALA A 69 28.725 -6.501 24.195 1.00 35.34 H new ATOM 901 N LEU A 70 30.060 -8.615 22.405 1.00 33.32 N ATOM 902 CA LEU A 70 30.084 -10.061 22.210 1.00 41.20 C ATOM 903 C LEU A 70 31.461 -10.524 21.744 1.00 34.20 C ATOM 904 O LEU A 70 31.788 -11.708 21.822 1.00 64.44 O ATOM 905 CB LEU A 70 29.022 -10.476 21.191 1.00 54.54 C ATOM 906 CG LEU A 70 28.736 -11.974 21.091 1.00 63.44 C ATOM 907 CD1 LEU A 70 27.302 -12.273 21.499 1.00 23.34 C ATOM 908 CD2 LEU A 70 29.006 -12.476 19.679 1.00 1.34 C ATOM 0 H LEU A 70 29.399 -8.120 21.807 1.00 33.32 H new ATOM 0 HA LEU A 70 29.865 -10.536 23.166 1.00 41.20 H new ATOM 0 HB2 LEU A 70 28.091 -9.965 21.438 1.00 54.54 H new ATOM 0 HB3 LEU A 70 29.331 -10.119 20.209 1.00 54.54 H new ATOM 0 HG LEU A 70 29.403 -12.497 21.776 1.00 63.44 H new ATOM 0 HD11 LEU A 70 27.117 -13.344 21.421 1.00 23.34 H new ATOM 0 HD12 LEU A 70 27.142 -11.951 22.528 1.00 23.34 H new ATOM 0 HD13 LEU A 70 26.617 -11.738 20.841 1.00 23.34 H new ATOM 0 HD21 LEU A 70 28.797 -13.544 19.627 1.00 1.34 H new ATOM 0 HD22 LEU A 70 28.364 -11.946 18.975 1.00 1.34 H new ATOM 0 HD23 LEU A 70 30.050 -12.298 19.423 1.00 1.34 H new ATOM 920 N LYS A 71 32.264 -9.582 21.261 1.00 21.45 N ATOM 921 CA LYS A 71 33.607 -9.892 20.786 1.00 43.01 C ATOM 922 C LYS A 71 34.366 -10.732 21.808 1.00 22.02 C ATOM 923 O LYS A 71 35.195 -11.568 21.447 1.00 71.31 O ATOM 924 CB LYS A 71 34.378 -8.602 20.497 1.00 42.10 C ATOM 925 CG LYS A 71 34.726 -7.809 21.745 1.00 54.53 C ATOM 926 CD LYS A 71 35.599 -6.609 21.417 1.00 12.25 C ATOM 927 CE LYS A 71 34.823 -5.306 21.534 1.00 34.03 C ATOM 928 NZ LYS A 71 34.327 -5.078 22.920 1.00 60.00 N ATOM 0 H LYS A 71 32.008 -8.597 21.188 1.00 21.45 H new ATOM 0 HA LYS A 71 33.515 -10.468 19.865 1.00 43.01 H new ATOM 0 HB2 LYS A 71 35.297 -8.849 19.966 1.00 42.10 H new ATOM 0 HB3 LYS A 71 33.784 -7.975 19.832 1.00 42.10 H new ATOM 0 HG2 LYS A 71 33.810 -7.472 22.230 1.00 54.53 H new ATOM 0 HG3 LYS A 71 35.244 -8.454 22.455 1.00 54.53 H new ATOM 0 HD2 LYS A 71 36.455 -6.586 22.091 1.00 12.25 H new ATOM 0 HD3 LYS A 71 35.993 -6.710 20.406 1.00 12.25 H new ATOM 0 HE2 LYS A 71 35.462 -4.475 21.236 1.00 34.03 H new ATOM 0 HE3 LYS A 71 33.979 -5.323 20.844 1.00 34.03 H new ATOM 0 HZ1 LYS A 71 33.298 -4.929 22.900 1.00 60.00 H new ATOM 0 HZ2 LYS A 71 34.546 -5.908 23.508 1.00 60.00 H new ATOM 0 HZ3 LYS A 71 34.791 -4.238 23.321 1.00 60.00 H new ATOM 942 N HIS A 72 34.077 -10.505 23.086 1.00 61.34 N ATOM 943 CA HIS A 72 34.731 -11.243 24.160 1.00 23.33 C ATOM 944 C HIS A 72 34.658 -12.747 23.910 1.00 15.41 C ATOM 945 O HIS A 72 35.548 -13.497 24.310 1.00 73.23 O ATOM 946 CB HIS A 72 34.087 -10.906 25.505 1.00 33.21 C ATOM 947 CG HIS A 72 35.037 -10.294 26.488 1.00 33.40 C ATOM 948 ND1 HIS A 72 34.656 -9.341 27.409 1.00 24.31 N ATOM 949 CD2 HIS A 72 36.358 -10.506 26.692 1.00 60.23 C ATOM 950 CE1 HIS A 72 35.703 -8.992 28.136 1.00 60.03 C ATOM 951 NE2 HIS A 72 36.748 -9.685 27.721 1.00 42.23 N ATOM 0 H HIS A 72 33.395 -9.816 23.402 1.00 61.34 H new ATOM 0 HA HIS A 72 35.780 -10.947 24.184 1.00 23.33 H new ATOM 0 HB2 HIS A 72 33.257 -10.219 25.339 1.00 33.21 H new ATOM 0 HB3 HIS A 72 33.668 -11.815 25.936 1.00 33.21 H new ATOM 0 HD2 HIS A 72 36.988 -11.193 26.147 1.00 60.23 H new ATOM 0 HE1 HIS A 72 35.704 -8.264 28.934 1.00 60.03 H new ATOM 0 HE2 HIS A 72 37.692 -9.621 28.103 1.00 42.23 H new ATOM 959 N VAL A 73 33.590 -13.180 23.247 1.00 40.31 N ATOM 960 CA VAL A 73 33.400 -14.593 22.943 1.00 21.01 C ATOM 961 C VAL A 73 33.563 -14.861 21.451 1.00 32.22 C ATOM 962 O VAL A 73 32.719 -14.493 20.633 1.00 22.24 O ATOM 963 CB VAL A 73 32.011 -15.082 23.393 1.00 55.00 C ATOM 964 CG1 VAL A 73 31.819 -16.549 23.037 1.00 5.45 C ATOM 965 CG2 VAL A 73 31.825 -14.858 24.886 1.00 21.32 C ATOM 0 H VAL A 73 32.843 -12.572 22.910 1.00 40.31 H new ATOM 0 HA VAL A 73 34.165 -15.141 23.493 1.00 21.01 H new ATOM 0 HB VAL A 73 31.253 -14.503 22.865 1.00 55.00 H new ATOM 0 HG11 VAL A 73 30.832 -16.876 23.363 1.00 5.45 H new ATOM 0 HG12 VAL A 73 31.905 -16.676 21.958 1.00 5.45 H new ATOM 0 HG13 VAL A 73 32.582 -17.147 23.535 1.00 5.45 H new ATOM 0 HG21 VAL A 73 30.838 -15.209 25.186 1.00 21.32 H new ATOM 0 HG22 VAL A 73 32.589 -15.409 25.435 1.00 21.32 H new ATOM 0 HG23 VAL A 73 31.915 -13.795 25.108 1.00 21.32 H new ATOM 975 N PRO A 74 34.673 -15.519 21.086 1.00 43.41 N ATOM 976 CA PRO A 74 34.973 -15.852 19.690 1.00 32.22 C ATOM 977 C PRO A 74 34.039 -16.923 19.137 1.00 71.11 C ATOM 978 O PRO A 74 33.839 -17.023 17.926 1.00 4.40 O ATOM 979 CB PRO A 74 36.410 -16.376 19.751 1.00 10.41 C ATOM 980 CG PRO A 74 36.571 -16.879 21.144 1.00 41.01 C ATOM 981 CD PRO A 74 35.722 -15.988 22.007 1.00 11.53 C ATOM 0 HA PRO A 74 34.845 -14.994 19.030 1.00 32.22 H new ATOM 0 HB2 PRO A 74 36.573 -17.170 19.022 1.00 10.41 H new ATOM 0 HB3 PRO A 74 37.129 -15.587 19.529 1.00 10.41 H new ATOM 0 HG2 PRO A 74 36.251 -17.918 21.223 1.00 41.01 H new ATOM 0 HG3 PRO A 74 37.615 -16.842 21.454 1.00 41.01 H new ATOM 0 HD2 PRO A 74 35.300 -16.531 22.853 1.00 11.53 H new ATOM 0 HD3 PRO A 74 36.298 -15.158 22.416 1.00 11.53 H new ATOM 989 N LYS A 75 33.468 -17.723 20.031 1.00 30.11 N ATOM 990 CA LYS A 75 32.553 -18.786 19.633 1.00 20.43 C ATOM 991 C LYS A 75 31.357 -18.220 18.875 1.00 10.40 C ATOM 992 O LYS A 75 31.034 -18.673 17.777 1.00 74.12 O ATOM 993 CB LYS A 75 32.071 -19.559 20.863 1.00 21.21 C ATOM 994 CG LYS A 75 33.105 -20.523 21.419 1.00 33.23 C ATOM 995 CD LYS A 75 33.400 -21.649 20.442 1.00 33.14 C ATOM 996 CE LYS A 75 34.893 -21.796 20.196 1.00 24.43 C ATOM 997 NZ LYS A 75 35.625 -22.175 21.437 1.00 42.13 N ATOM 0 H LYS A 75 33.623 -17.655 21.037 1.00 30.11 H new ATOM 0 HA LYS A 75 33.091 -19.465 18.972 1.00 20.43 H new ATOM 0 HB2 LYS A 75 31.793 -18.849 21.642 1.00 21.21 H new ATOM 0 HB3 LYS A 75 31.171 -20.116 20.602 1.00 21.21 H new ATOM 0 HG2 LYS A 75 34.025 -19.983 21.641 1.00 33.23 H new ATOM 0 HG3 LYS A 75 32.746 -20.941 22.359 1.00 33.23 H new ATOM 0 HD2 LYS A 75 33.001 -22.585 20.833 1.00 33.14 H new ATOM 0 HD3 LYS A 75 32.892 -21.455 19.497 1.00 33.14 H new ATOM 0 HE2 LYS A 75 35.062 -22.552 19.429 1.00 24.43 H new ATOM 0 HE3 LYS A 75 35.292 -20.857 19.811 1.00 24.43 H new ATOM 0 HZ1 LYS A 75 36.605 -22.430 21.198 1.00 42.13 H new ATOM 0 HZ2 LYS A 75 35.628 -21.372 22.098 1.00 42.13 H new ATOM 0 HZ3 LYS A 75 35.155 -22.988 21.883 1.00 42.13 H new ATOM 1011 N CYS A 76 30.704 -17.225 19.467 1.00 22.10 N ATOM 1012 CA CYS A 76 29.545 -16.595 18.848 1.00 75.25 C ATOM 1013 C CYS A 76 29.972 -15.463 17.918 1.00 2.45 C ATOM 1014 O CYS A 76 29.341 -15.218 16.890 1.00 10.14 O ATOM 1015 CB CYS A 76 28.595 -16.058 19.921 1.00 64.32 C ATOM 1016 SG CYS A 76 26.831 -16.209 19.496 1.00 75.44 S ATOM 0 H CYS A 76 30.959 -16.838 20.376 1.00 22.10 H new ATOM 0 HA CYS A 76 29.026 -17.350 18.258 1.00 75.25 H new ATOM 0 HB2 CYS A 76 28.780 -16.591 20.854 1.00 64.32 H new ATOM 0 HB3 CYS A 76 28.825 -15.008 20.102 1.00 64.32 H new ATOM 1021 N TRP A 77 31.047 -14.776 18.288 1.00 24.40 N ATOM 1022 CA TRP A 77 31.560 -13.670 17.488 1.00 52.22 C ATOM 1023 C TRP A 77 31.818 -14.111 16.051 1.00 2.34 C ATOM 1024 O TRP A 77 31.289 -13.524 15.108 1.00 42.02 O ATOM 1025 CB TRP A 77 32.847 -13.120 18.105 1.00 31.31 C ATOM 1026 CG TRP A 77 33.737 -12.437 17.112 1.00 64.01 C ATOM 1027 CD1 TRP A 77 35.082 -12.620 16.955 1.00 53.23 C ATOM 1028 CD2 TRP A 77 33.347 -11.461 16.140 1.00 12.21 C ATOM 1029 NE1 TRP A 77 35.550 -11.816 15.944 1.00 43.23 N ATOM 1030 CE2 TRP A 77 34.506 -11.096 15.427 1.00 13.23 C ATOM 1031 CE3 TRP A 77 32.131 -10.861 15.801 1.00 20.13 C ATOM 1032 CZ2 TRP A 77 34.482 -10.158 14.399 1.00 51.14 C ATOM 1033 CZ3 TRP A 77 32.109 -9.930 14.780 1.00 21.32 C ATOM 1034 CH2 TRP A 77 33.278 -9.586 14.088 1.00 71.50 C ATOM 0 H TRP A 77 31.580 -14.965 19.137 1.00 24.40 H new ATOM 0 HA TRP A 77 30.806 -12.883 17.477 1.00 52.22 H new ATOM 0 HB2 TRP A 77 32.590 -12.416 18.896 1.00 31.31 H new ATOM 0 HB3 TRP A 77 33.396 -13.938 18.572 1.00 31.31 H new ATOM 0 HD1 TRP A 77 35.688 -13.297 17.539 1.00 53.23 H new ATOM 0 HE1 TRP A 77 36.519 -11.764 15.629 1.00 43.23 H new ATOM 0 HE3 TRP A 77 31.225 -11.120 16.328 1.00 20.13 H new ATOM 0 HZ2 TRP A 77 35.382 -9.891 13.865 1.00 51.14 H new ATOM 0 HZ3 TRP A 77 31.175 -9.459 14.511 1.00 21.32 H new ATOM 0 HH2 TRP A 77 33.228 -8.856 13.294 1.00 71.50 H new ATOM 1045 N ALA A 78 32.634 -15.147 15.893 1.00 63.52 N ATOM 1046 CA ALA A 78 32.960 -15.668 14.571 1.00 44.21 C ATOM 1047 C ALA A 78 31.720 -16.222 13.878 1.00 64.02 C ATOM 1048 O ALA A 78 31.729 -16.468 12.672 1.00 24.01 O ATOM 1049 CB ALA A 78 34.033 -16.742 14.676 1.00 10.22 C ATOM 0 H ALA A 78 33.082 -15.643 16.664 1.00 63.52 H new ATOM 0 HA ALA A 78 33.344 -14.845 13.968 1.00 44.21 H new ATOM 0 HB1 ALA A 78 34.266 -17.122 13.681 1.00 10.22 H new ATOM 0 HB2 ALA A 78 34.932 -16.316 15.122 1.00 10.22 H new ATOM 0 HB3 ALA A 78 33.671 -17.559 15.300 1.00 10.22 H new ATOM 1055 N ALA A 79 30.655 -16.417 14.648 1.00 0.01 N ATOM 1056 CA ALA A 79 29.407 -16.941 14.107 1.00 20.13 C ATOM 1057 C ALA A 79 28.643 -15.863 13.347 1.00 55.21 C ATOM 1058 O ALA A 79 27.967 -16.149 12.358 1.00 41.53 O ATOM 1059 CB ALA A 79 28.547 -17.512 15.225 1.00 75.45 C ATOM 0 H ALA A 79 30.631 -16.220 15.649 1.00 0.01 H new ATOM 0 HA ALA A 79 29.650 -17.739 13.406 1.00 20.13 H new ATOM 0 HB1 ALA A 79 27.618 -17.900 14.807 1.00 75.45 H new ATOM 0 HB2 ALA A 79 29.086 -18.318 15.723 1.00 75.45 H new ATOM 0 HB3 ALA A 79 28.321 -16.727 15.947 1.00 75.45 H new ATOM 1065 N ILE A 80 28.753 -14.624 13.815 1.00 33.32 N ATOM 1066 CA ILE A 80 28.072 -13.504 13.178 1.00 12.13 C ATOM 1067 C ILE A 80 29.002 -12.767 12.221 1.00 63.43 C ATOM 1068 O ILE A 80 28.693 -11.668 11.763 1.00 3.53 O ATOM 1069 CB ILE A 80 27.532 -12.507 14.221 1.00 45.32 C ATOM 1070 CG1 ILE A 80 26.423 -11.648 13.611 1.00 51.23 C ATOM 1071 CG2 ILE A 80 28.659 -11.630 14.748 1.00 70.33 C ATOM 1072 CD1 ILE A 80 25.955 -10.531 14.518 1.00 60.41 C ATOM 0 H ILE A 80 29.307 -14.371 14.633 1.00 33.32 H new ATOM 0 HA ILE A 80 27.235 -13.921 12.618 1.00 12.13 H new ATOM 0 HB ILE A 80 27.113 -13.069 15.056 1.00 45.32 H new ATOM 0 HG12 ILE A 80 26.780 -11.219 12.675 1.00 51.23 H new ATOM 0 HG13 ILE A 80 25.574 -12.286 13.366 1.00 51.23 H new ATOM 0 HG21 ILE A 80 28.262 -10.931 15.484 1.00 70.33 H new ATOM 0 HG22 ILE A 80 29.419 -12.256 15.215 1.00 70.33 H new ATOM 0 HG23 ILE A 80 29.104 -11.074 13.923 1.00 70.33 H new ATOM 0 HD11 ILE A 80 25.168 -9.964 14.020 1.00 60.41 H new ATOM 0 HD12 ILE A 80 25.567 -10.953 15.445 1.00 60.41 H new ATOM 0 HD13 ILE A 80 26.792 -9.870 14.743 1.00 60.41 H new ATOM 1084 N GLN A 81 30.142 -13.383 11.921 1.00 54.21 N ATOM 1085 CA GLN A 81 31.117 -12.786 11.016 1.00 12.43 C ATOM 1086 C GLN A 81 30.501 -12.527 9.645 1.00 34.23 C ATOM 1087 O GLN A 81 30.461 -11.397 9.158 1.00 22.04 O ATOM 1088 CB GLN A 81 32.338 -13.696 10.876 1.00 3.32 C ATOM 1089 CG GLN A 81 33.634 -13.052 11.344 1.00 55.34 C ATOM 1090 CD GLN A 81 34.653 -14.069 11.817 1.00 1.44 C ATOM 1091 OE1 GLN A 81 34.869 -15.095 11.173 1.00 71.33 O ATOM 1092 NE2 GLN A 81 35.287 -13.788 12.950 1.00 62.11 N ATOM 0 H GLN A 81 30.412 -14.294 12.291 1.00 54.21 H new ATOM 0 HA GLN A 81 31.430 -11.832 11.439 1.00 12.43 H new ATOM 0 HB2 GLN A 81 32.168 -14.608 11.448 1.00 3.32 H new ATOM 0 HB3 GLN A 81 32.444 -13.989 9.832 1.00 3.32 H new ATOM 0 HG2 GLN A 81 34.061 -12.468 10.528 1.00 55.34 H new ATOM 0 HG3 GLN A 81 33.418 -12.356 12.155 1.00 55.34 H new ATOM 0 HE21 GLN A 81 35.077 -12.925 13.452 1.00 62.11 H new ATOM 0 HE22 GLN A 81 35.984 -14.435 13.318 1.00 62.11 H new ATOM 1101 N PRO A 82 30.008 -13.598 9.006 1.00 31.40 N ATOM 1102 CA PRO A 82 29.384 -13.513 7.682 1.00 4.31 C ATOM 1103 C PRO A 82 28.040 -12.795 7.720 1.00 52.41 C ATOM 1104 O PRO A 82 27.652 -12.131 6.758 1.00 1.53 O ATOM 1105 CB PRO A 82 29.197 -14.978 7.283 1.00 73.52 C ATOM 1106 CG PRO A 82 29.123 -15.717 8.575 1.00 50.52 C ATOM 1107 CD PRO A 82 30.021 -14.976 9.527 1.00 51.23 C ATOM 0 HA PRO A 82 29.992 -12.941 6.981 1.00 4.31 H new ATOM 0 HB2 PRO A 82 28.289 -15.115 6.696 1.00 73.52 H new ATOM 0 HB3 PRO A 82 30.028 -15.331 6.672 1.00 73.52 H new ATOM 0 HG2 PRO A 82 28.099 -15.749 8.948 1.00 50.52 H new ATOM 0 HG3 PRO A 82 29.450 -16.750 8.453 1.00 50.52 H new ATOM 0 HD2 PRO A 82 29.648 -15.022 10.550 1.00 51.23 H new ATOM 0 HD3 PRO A 82 31.028 -15.393 9.536 1.00 51.23 H new ATOM 1115 N PHE A 83 27.332 -12.931 8.836 1.00 23.54 N ATOM 1116 CA PHE A 83 26.030 -12.296 8.999 1.00 0.31 C ATOM 1117 C PHE A 83 26.186 -10.825 9.376 1.00 31.55 C ATOM 1118 O PHE A 83 25.237 -10.045 9.286 1.00 70.31 O ATOM 1119 CB PHE A 83 25.213 -13.024 10.068 1.00 20.41 C ATOM 1120 CG PHE A 83 23.844 -12.442 10.277 1.00 24.10 C ATOM 1121 CD1 PHE A 83 23.092 -12.003 9.200 1.00 41.15 C ATOM 1122 CD2 PHE A 83 23.310 -12.335 11.551 1.00 52.53 C ATOM 1123 CE1 PHE A 83 21.833 -11.466 9.389 1.00 12.12 C ATOM 1124 CE2 PHE A 83 22.051 -11.799 11.747 1.00 52.24 C ATOM 1125 CZ PHE A 83 21.311 -11.365 10.664 1.00 10.11 C ATOM 0 H PHE A 83 27.639 -13.476 9.642 1.00 23.54 H new ATOM 0 HA PHE A 83 25.503 -12.356 8.047 1.00 0.31 H new ATOM 0 HB2 PHE A 83 25.114 -14.072 9.787 1.00 20.41 H new ATOM 0 HB3 PHE A 83 25.758 -12.997 11.011 1.00 20.41 H new ATOM 0 HD1 PHE A 83 23.494 -12.081 8.201 1.00 41.15 H new ATOM 0 HD2 PHE A 83 23.884 -12.674 12.401 1.00 52.53 H new ATOM 0 HE1 PHE A 83 21.258 -11.126 8.541 1.00 12.12 H new ATOM 0 HE2 PHE A 83 21.646 -11.720 12.745 1.00 52.24 H new ATOM 0 HZ PHE A 83 20.326 -10.948 10.814 1.00 10.11 H new ATOM 1135 N LEU A 84 27.389 -10.454 9.801 1.00 72.25 N ATOM 1136 CA LEU A 84 27.671 -9.078 10.193 1.00 53.32 C ATOM 1137 C LEU A 84 27.341 -8.110 9.060 1.00 30.44 C ATOM 1138 O LEU A 84 27.129 -6.919 9.289 1.00 64.11 O ATOM 1139 CB LEU A 84 29.140 -8.931 10.593 1.00 71.15 C ATOM 1140 CG LEU A 84 29.407 -8.212 11.915 1.00 21.13 C ATOM 1141 CD1 LEU A 84 29.171 -6.717 11.767 1.00 22.14 C ATOM 1142 CD2 LEU A 84 28.532 -8.785 13.020 1.00 34.32 C ATOM 0 H LEU A 84 28.185 -11.087 9.883 1.00 72.25 H new ATOM 0 HA LEU A 84 27.042 -8.834 11.049 1.00 53.32 H new ATOM 0 HB2 LEU A 84 29.582 -9.926 10.648 1.00 71.15 H new ATOM 0 HB3 LEU A 84 29.660 -8.395 9.799 1.00 71.15 H new ATOM 0 HG LEU A 84 30.451 -8.369 12.187 1.00 21.13 H new ATOM 0 HD11 LEU A 84 29.366 -6.222 12.718 1.00 22.14 H new ATOM 0 HD12 LEU A 84 29.840 -6.317 11.006 1.00 22.14 H new ATOM 0 HD13 LEU A 84 28.137 -6.539 11.471 1.00 22.14 H new ATOM 0 HD21 LEU A 84 28.736 -8.261 13.954 1.00 34.32 H new ATOM 0 HD22 LEU A 84 27.482 -8.659 12.755 1.00 34.32 H new ATOM 0 HD23 LEU A 84 28.750 -9.846 13.144 1.00 34.32 H new ATOM 1154 N CYS A 85 27.297 -8.631 7.839 1.00 51.04 N ATOM 1155 CA CYS A 85 26.991 -7.815 6.670 1.00 61.02 C ATOM 1156 C CYS A 85 25.515 -7.926 6.300 1.00 72.31 C ATOM 1157 O CYS A 85 24.886 -6.942 5.913 1.00 75.24 O ATOM 1158 CB CYS A 85 27.859 -8.240 5.484 1.00 72.53 C ATOM 1159 SG CYS A 85 29.475 -8.935 5.956 1.00 4.52 S ATOM 0 H CYS A 85 27.469 -9.615 7.633 1.00 51.04 H new ATOM 0 HA CYS A 85 27.208 -6.776 6.917 1.00 61.02 H new ATOM 0 HB2 CYS A 85 27.315 -8.980 4.896 1.00 72.53 H new ATOM 0 HB3 CYS A 85 28.021 -7.377 4.839 1.00 72.53 H new ATOM 1164 N ALA A 86 24.969 -9.132 6.423 1.00 50.24 N ATOM 1165 CA ALA A 86 23.567 -9.372 6.104 1.00 41.32 C ATOM 1166 C ALA A 86 22.669 -9.037 7.290 1.00 42.40 C ATOM 1167 O ALA A 86 21.460 -9.263 7.250 1.00 72.24 O ATOM 1168 CB ALA A 86 23.363 -10.818 5.677 1.00 51.33 C ATOM 0 H ALA A 86 25.476 -9.958 6.741 1.00 50.24 H new ATOM 0 HA ALA A 86 23.291 -8.718 5.277 1.00 41.32 H new ATOM 0 HB1 ALA A 86 22.312 -10.983 5.442 1.00 51.33 H new ATOM 0 HB2 ALA A 86 23.969 -11.026 4.795 1.00 51.33 H new ATOM 0 HB3 ALA A 86 23.662 -11.482 6.488 1.00 51.33 H new ATOM 1174 N VAL A 87 23.269 -8.496 8.346 1.00 32.32 N ATOM 1175 CA VAL A 87 22.523 -8.130 9.544 1.00 0.41 C ATOM 1176 C VAL A 87 22.395 -6.616 9.670 1.00 41.31 C ATOM 1177 O VAL A 87 21.375 -6.104 10.131 1.00 33.34 O ATOM 1178 CB VAL A 87 23.194 -8.684 10.815 1.00 71.53 C ATOM 1179 CG1 VAL A 87 24.501 -7.957 11.089 1.00 24.34 C ATOM 1180 CG2 VAL A 87 22.253 -8.575 12.005 1.00 51.41 C ATOM 0 H VAL A 87 24.269 -8.302 8.396 1.00 32.32 H new ATOM 0 HA VAL A 87 21.530 -8.570 9.445 1.00 0.41 H new ATOM 0 HB VAL A 87 23.420 -9.738 10.656 1.00 71.53 H new ATOM 0 HG11 VAL A 87 24.961 -8.362 11.991 1.00 24.34 H new ATOM 0 HG12 VAL A 87 25.177 -8.093 10.245 1.00 24.34 H new ATOM 0 HG13 VAL A 87 24.304 -6.894 11.228 1.00 24.34 H new ATOM 0 HG21 VAL A 87 22.744 -8.971 12.894 1.00 51.41 H new ATOM 0 HG22 VAL A 87 21.994 -7.529 12.169 1.00 51.41 H new ATOM 0 HG23 VAL A 87 21.347 -9.147 11.806 1.00 51.41 H new ATOM 1190 N PHE A 88 23.438 -5.903 9.256 1.00 55.10 N ATOM 1191 CA PHE A 88 23.443 -4.446 9.323 1.00 75.25 C ATOM 1192 C PHE A 88 23.423 -3.838 7.923 1.00 1.23 C ATOM 1193 O PHE A 88 22.815 -2.792 7.697 1.00 52.52 O ATOM 1194 CB PHE A 88 24.672 -3.954 10.088 1.00 4.30 C ATOM 1195 CG PHE A 88 24.853 -4.617 11.423 1.00 32.43 C ATOM 1196 CD1 PHE A 88 23.802 -4.691 12.323 1.00 55.40 C ATOM 1197 CD2 PHE A 88 26.073 -5.168 11.779 1.00 64.43 C ATOM 1198 CE1 PHE A 88 23.965 -5.300 13.553 1.00 42.04 C ATOM 1199 CE2 PHE A 88 26.243 -5.780 13.007 1.00 51.51 C ATOM 1200 CZ PHE A 88 25.187 -5.846 13.894 1.00 31.25 C ATOM 0 H PHE A 88 24.290 -6.310 8.871 1.00 55.10 H new ATOM 0 HA PHE A 88 22.544 -4.128 9.851 1.00 75.25 H new ATOM 0 HB2 PHE A 88 25.561 -4.128 9.482 1.00 4.30 H new ATOM 0 HB3 PHE A 88 24.592 -2.877 10.234 1.00 4.30 H new ATOM 0 HD1 PHE A 88 22.844 -4.268 12.060 1.00 55.40 H new ATOM 0 HD2 PHE A 88 26.902 -5.119 11.088 1.00 64.43 H new ATOM 0 HE1 PHE A 88 23.138 -5.349 14.246 1.00 42.04 H new ATOM 0 HE2 PHE A 88 27.200 -6.205 13.272 1.00 51.51 H new ATOM 0 HZ PHE A 88 25.316 -6.324 14.854 1.00 31.25 H new ATOM 1210 N LYS A 89 24.094 -4.500 6.987 1.00 31.52 N ATOM 1211 CA LYS A 89 24.155 -4.028 5.609 1.00 14.43 C ATOM 1212 C LYS A 89 23.397 -4.968 4.677 1.00 14.25 C ATOM 1213 O LYS A 89 23.986 -5.758 3.940 1.00 21.34 O ATOM 1214 CB LYS A 89 25.611 -3.906 5.154 1.00 14.50 C ATOM 1215 CG LYS A 89 26.419 -2.907 5.964 1.00 43.25 C ATOM 1216 CD LYS A 89 27.079 -3.565 7.163 1.00 30.54 C ATOM 1217 CE LYS A 89 27.256 -2.583 8.311 1.00 32.33 C ATOM 1218 NZ LYS A 89 28.532 -1.824 8.200 1.00 51.21 N ATOM 0 H LYS A 89 24.604 -5.367 7.158 1.00 31.52 H new ATOM 0 HA LYS A 89 23.684 -3.046 5.567 1.00 14.43 H new ATOM 0 HB2 LYS A 89 26.087 -4.884 5.220 1.00 14.50 H new ATOM 0 HB3 LYS A 89 25.632 -3.612 4.105 1.00 14.50 H new ATOM 0 HG2 LYS A 89 27.182 -2.456 5.330 1.00 43.25 H new ATOM 0 HG3 LYS A 89 25.768 -2.101 6.303 1.00 43.25 H new ATOM 0 HD2 LYS A 89 26.474 -4.409 7.495 1.00 30.54 H new ATOM 0 HD3 LYS A 89 28.050 -3.964 6.871 1.00 30.54 H new ATOM 0 HE2 LYS A 89 26.419 -1.885 8.325 1.00 32.33 H new ATOM 0 HE3 LYS A 89 27.236 -3.123 9.257 1.00 32.33 H new ATOM 0 HZ1 LYS A 89 28.615 -1.166 9.001 1.00 51.21 H new ATOM 0 HZ2 LYS A 89 29.333 -2.487 8.213 1.00 51.21 H new ATOM 0 HZ3 LYS A 89 28.541 -1.288 7.309 1.00 51.21 H new ATOM 1232 N PRO A 90 22.059 -4.881 4.708 1.00 15.02 N ATOM 1233 CA PRO A 90 21.192 -5.715 3.871 1.00 73.42 C ATOM 1234 C PRO A 90 21.280 -5.344 2.395 1.00 53.44 C ATOM 1235 O PRO A 90 21.324 -4.165 2.042 1.00 41.21 O ATOM 1236 CB PRO A 90 19.790 -5.426 4.413 1.00 54.35 C ATOM 1237 CG PRO A 90 19.891 -4.069 5.019 1.00 12.30 C ATOM 1238 CD PRO A 90 21.289 -3.961 5.563 1.00 73.25 C ATOM 0 HA PRO A 90 21.472 -6.767 3.916 1.00 73.42 H new ATOM 0 HB2 PRO A 90 19.045 -5.450 3.617 1.00 54.35 H new ATOM 0 HB3 PRO A 90 19.490 -6.169 5.153 1.00 54.35 H new ATOM 0 HG2 PRO A 90 19.701 -3.295 4.276 1.00 12.30 H new ATOM 0 HG3 PRO A 90 19.153 -3.939 5.811 1.00 12.30 H new ATOM 0 HD2 PRO A 90 21.668 -2.941 5.499 1.00 73.25 H new ATOM 0 HD3 PRO A 90 21.336 -4.253 6.612 1.00 73.25 H new ATOM 1246 N LYS A 91 21.304 -6.356 1.535 1.00 62.23 N ATOM 1247 CA LYS A 91 21.385 -6.137 0.095 1.00 1.35 C ATOM 1248 C LYS A 91 20.141 -5.417 -0.416 1.00 21.11 C ATOM 1249 O LYS A 91 19.124 -6.046 -0.709 1.00 31.22 O ATOM 1250 CB LYS A 91 21.553 -7.470 -0.636 1.00 34.50 C ATOM 1251 CG LYS A 91 21.688 -7.325 -2.142 1.00 22.41 C ATOM 1252 CD LYS A 91 22.321 -8.558 -2.766 1.00 5.41 C ATOM 1253 CE LYS A 91 21.781 -8.815 -4.164 1.00 54.21 C ATOM 1254 NZ LYS A 91 22.342 -10.061 -4.756 1.00 2.34 N ATOM 0 H LYS A 91 21.268 -7.338 1.810 1.00 62.23 H new ATOM 0 HA LYS A 91 22.254 -5.510 -0.104 1.00 1.35 H new ATOM 0 HB2 LYS A 91 22.435 -7.979 -0.248 1.00 34.50 H new ATOM 0 HB3 LYS A 91 20.696 -8.106 -0.416 1.00 34.50 H new ATOM 0 HG2 LYS A 91 20.705 -7.157 -2.582 1.00 22.41 H new ATOM 0 HG3 LYS A 91 22.294 -6.448 -2.371 1.00 22.41 H new ATOM 0 HD2 LYS A 91 23.403 -8.430 -2.810 1.00 5.41 H new ATOM 0 HD3 LYS A 91 22.128 -9.426 -2.135 1.00 5.41 H new ATOM 0 HE2 LYS A 91 20.694 -8.889 -4.125 1.00 54.21 H new ATOM 0 HE3 LYS A 91 22.020 -7.968 -4.807 1.00 54.21 H new ATOM 0 HZ1 LYS A 91 21.949 -10.200 -5.709 1.00 2.34 H new ATOM 0 HZ2 LYS A 91 23.377 -9.981 -4.817 1.00 2.34 H new ATOM 0 HZ3 LYS A 91 22.092 -10.873 -4.156 1.00 2.34 H new ATOM 1268 N CYS A 92 20.229 -4.096 -0.522 1.00 44.43 N ATOM 1269 CA CYS A 92 19.112 -3.290 -0.999 1.00 51.14 C ATOM 1270 C CYS A 92 19.301 -2.911 -2.466 1.00 21.55 C ATOM 1271 O CYS A 92 20.208 -2.153 -2.809 1.00 34.43 O ATOM 1272 CB CYS A 92 18.968 -2.026 -0.149 1.00 52.05 C ATOM 1273 SG CYS A 92 17.606 -0.932 -0.668 1.00 62.52 S ATOM 0 H CYS A 92 21.064 -3.560 -0.284 1.00 44.43 H new ATOM 0 HA CYS A 92 18.203 -3.885 -0.910 1.00 51.14 H new ATOM 0 HB2 CYS A 92 18.811 -2.316 0.890 1.00 52.05 H new ATOM 0 HB3 CYS A 92 19.903 -1.467 -0.187 1.00 52.05 H new ATOM 1278 N GLU A 93 18.438 -3.445 -3.325 1.00 25.11 N ATOM 1279 CA GLU A 93 18.511 -3.163 -4.754 1.00 24.43 C ATOM 1280 C GLU A 93 17.134 -2.813 -5.310 1.00 44.21 C ATOM 1281 O GLU A 93 16.135 -2.844 -4.591 1.00 42.35 O ATOM 1282 CB GLU A 93 19.086 -4.367 -5.505 1.00 13.44 C ATOM 1283 CG GLU A 93 18.269 -5.637 -5.334 1.00 43.34 C ATOM 1284 CD GLU A 93 18.350 -6.548 -6.543 1.00 71.43 C ATOM 1285 OE1 GLU A 93 19.443 -6.651 -7.138 1.00 51.21 O ATOM 1286 OE2 GLU A 93 17.319 -7.160 -6.894 1.00 51.11 O ATOM 0 H GLU A 93 17.681 -4.074 -3.057 1.00 25.11 H new ATOM 0 HA GLU A 93 19.170 -2.306 -4.897 1.00 24.43 H new ATOM 0 HB2 GLU A 93 19.150 -4.126 -6.566 1.00 13.44 H new ATOM 0 HB3 GLU A 93 20.103 -4.550 -5.158 1.00 13.44 H new ATOM 0 HG2 GLU A 93 18.620 -6.175 -4.454 1.00 43.34 H new ATOM 0 HG3 GLU A 93 17.227 -5.373 -5.151 1.00 43.34 H new ATOM 1293 N LYS A 94 17.090 -2.479 -6.595 1.00 52.43 N ATOM 1294 CA LYS A 94 15.837 -2.122 -7.251 1.00 31.33 C ATOM 1295 C LYS A 94 15.348 -3.258 -8.145 1.00 5.43 C ATOM 1296 O LYS A 94 15.893 -3.488 -9.225 1.00 4.43 O ATOM 1297 CB LYS A 94 16.015 -0.848 -8.079 1.00 1.45 C ATOM 1298 CG LYS A 94 15.247 0.344 -7.533 1.00 71.05 C ATOM 1299 CD LYS A 94 15.337 1.540 -8.467 1.00 32.32 C ATOM 1300 CE LYS A 94 16.776 1.996 -8.651 1.00 10.00 C ATOM 1301 NZ LYS A 94 16.914 3.471 -8.498 1.00 61.13 N ATOM 0 H LYS A 94 17.908 -2.448 -7.204 1.00 52.43 H new ATOM 0 HA LYS A 94 15.090 -1.944 -6.478 1.00 31.33 H new ATOM 0 HB2 LYS A 94 17.075 -0.598 -8.122 1.00 1.45 H new ATOM 0 HB3 LYS A 94 15.691 -1.041 -9.102 1.00 1.45 H new ATOM 0 HG2 LYS A 94 14.202 0.070 -7.390 1.00 71.05 H new ATOM 0 HG3 LYS A 94 15.642 0.615 -6.554 1.00 71.05 H new ATOM 0 HD2 LYS A 94 14.910 1.280 -9.436 1.00 32.32 H new ATOM 0 HD3 LYS A 94 14.742 2.361 -8.067 1.00 32.32 H new ATOM 0 HE2 LYS A 94 17.412 1.494 -7.922 1.00 10.00 H new ATOM 0 HE3 LYS A 94 17.128 1.699 -9.639 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 17.909 3.742 -8.631 1.00 61.13 H new ATOM 0 HZ2 LYS A 94 16.327 3.950 -9.210 1.00 61.13 H new ATOM 0 HZ3 LYS A 94 16.602 3.752 -7.546 1.00 61.13 H new ATOM 1315 N ILE A 95 14.319 -3.962 -7.689 1.00 33.54 N ATOM 1316 CA ILE A 95 13.756 -5.071 -8.449 1.00 21.51 C ATOM 1317 C ILE A 95 12.658 -4.591 -9.391 1.00 52.23 C ATOM 1318 O ILE A 95 11.618 -4.102 -8.951 1.00 62.20 O ATOM 1319 CB ILE A 95 13.181 -6.157 -7.520 1.00 10.33 C ATOM 1320 CG1 ILE A 95 14.285 -6.738 -6.634 1.00 11.22 C ATOM 1321 CG2 ILE A 95 12.516 -7.255 -8.336 1.00 63.10 C ATOM 1322 CD1 ILE A 95 13.790 -7.216 -5.287 1.00 74.40 C ATOM 0 H ILE A 95 13.858 -3.785 -6.797 1.00 33.54 H new ATOM 0 HA ILE A 95 14.571 -5.498 -9.033 1.00 21.51 H new ATOM 0 HB ILE A 95 12.427 -5.702 -6.877 1.00 10.33 H new ATOM 0 HG12 ILE A 95 14.757 -7.571 -7.155 1.00 11.22 H new ATOM 0 HG13 ILE A 95 15.054 -5.980 -6.482 1.00 11.22 H new ATOM 0 HG21 ILE A 95 12.115 -8.015 -7.665 1.00 63.10 H new ATOM 0 HG22 ILE A 95 11.706 -6.829 -8.927 1.00 63.10 H new ATOM 0 HG23 ILE A 95 13.250 -7.710 -9.001 1.00 63.10 H new ATOM 0 HD11 ILE A 95 14.626 -7.615 -4.713 1.00 74.40 H new ATOM 0 HD12 ILE A 95 13.344 -6.381 -4.746 1.00 74.40 H new ATOM 0 HD13 ILE A 95 13.043 -7.997 -5.430 1.00 74.40 H new ATOM 1334 N ASN A 96 12.896 -4.735 -10.691 1.00 11.30 N ATOM 1335 CA ASN A 96 11.926 -4.316 -11.697 1.00 21.34 C ATOM 1336 C ASN A 96 11.699 -2.809 -11.639 1.00 42.34 C ATOM 1337 O ASN A 96 10.682 -2.305 -12.114 1.00 31.05 O ATOM 1338 CB ASN A 96 10.600 -5.051 -11.493 1.00 33.11 C ATOM 1339 CG ASN A 96 9.657 -4.879 -12.668 1.00 51.11 C ATOM 1340 OD1 ASN A 96 9.863 -5.460 -13.734 1.00 34.44 O ATOM 1341 ND2 ASN A 96 8.616 -4.077 -12.479 1.00 12.53 N ATOM 0 H ASN A 96 13.752 -5.138 -11.072 1.00 11.30 H new ATOM 0 HA ASN A 96 12.326 -4.568 -12.679 1.00 21.34 H new ATOM 0 HB2 ASN A 96 10.796 -6.112 -11.340 1.00 33.11 H new ATOM 0 HB3 ASN A 96 10.119 -4.682 -10.587 1.00 33.11 H new ATOM 0 HD21 ASN A 96 7.948 -3.922 -13.234 1.00 12.53 H new ATOM 0 HD22 ASN A 96 8.484 -3.616 -11.579 1.00 12.53 H new ATOM 1348 N GLY A 97 12.656 -2.093 -11.055 1.00 71.33 N ATOM 1349 CA GLY A 97 12.542 -0.651 -10.947 1.00 40.40 C ATOM 1350 C GLY A 97 11.920 -0.215 -9.635 1.00 42.11 C ATOM 1351 O GLY A 97 11.476 0.925 -9.500 1.00 61.42 O ATOM 0 H GLY A 97 13.508 -2.487 -10.655 1.00 71.33 H new ATOM 0 HA2 GLY A 97 13.531 -0.203 -11.043 1.00 40.40 H new ATOM 0 HA3 GLY A 97 11.940 -0.274 -11.774 1.00 40.40 H new ATOM 1355 N GLU A 98 11.887 -1.125 -8.667 1.00 1.15 N ATOM 1356 CA GLU A 98 11.312 -0.828 -7.360 1.00 3.03 C ATOM 1357 C GLU A 98 12.330 -1.074 -6.249 1.00 54.02 C ATOM 1358 O GLU A 98 12.842 -2.183 -6.096 1.00 73.14 O ATOM 1359 CB GLU A 98 10.064 -1.681 -7.121 1.00 44.32 C ATOM 1360 CG GLU A 98 9.011 -1.535 -8.207 1.00 21.14 C ATOM 1361 CD GLU A 98 7.843 -2.483 -8.017 1.00 62.41 C ATOM 1362 OE1 GLU A 98 7.779 -3.143 -6.959 1.00 24.11 O ATOM 1363 OE2 GLU A 98 6.993 -2.565 -8.928 1.00 34.30 O ATOM 0 H GLU A 98 12.251 -2.073 -8.763 1.00 1.15 H new ATOM 0 HA GLU A 98 11.032 0.225 -7.346 1.00 3.03 H new ATOM 0 HB2 GLU A 98 10.358 -2.728 -7.050 1.00 44.32 H new ATOM 0 HB3 GLU A 98 9.625 -1.407 -6.162 1.00 44.32 H new ATOM 0 HG2 GLU A 98 8.644 -0.509 -8.216 1.00 21.14 H new ATOM 0 HG3 GLU A 98 9.469 -1.718 -9.179 1.00 21.14 H new ATOM 1370 N ASP A 99 12.618 -0.032 -5.478 1.00 13.34 N ATOM 1371 CA ASP A 99 13.573 -0.133 -4.381 1.00 22.44 C ATOM 1372 C ASP A 99 13.121 -1.174 -3.361 1.00 22.01 C ATOM 1373 O ASP A 99 12.261 -0.904 -2.523 1.00 43.42 O ATOM 1374 CB ASP A 99 13.746 1.225 -3.699 1.00 62.12 C ATOM 1375 CG ASP A 99 14.068 2.331 -4.685 1.00 64.53 C ATOM 1376 OD1 ASP A 99 15.266 2.541 -4.969 1.00 52.23 O ATOM 1377 OD2 ASP A 99 13.123 2.986 -5.172 1.00 60.33 O ATOM 0 H ASP A 99 12.204 0.893 -5.592 1.00 13.34 H new ATOM 0 HA ASP A 99 14.531 -0.447 -4.795 1.00 22.44 H new ATOM 0 HB2 ASP A 99 12.832 1.477 -3.160 1.00 62.12 H new ATOM 0 HB3 ASP A 99 14.544 1.158 -2.959 1.00 62.12 H new ATOM 1382 N MET A 100 13.706 -2.365 -3.439 1.00 50.14 N ATOM 1383 CA MET A 100 13.363 -3.446 -2.523 1.00 20.11 C ATOM 1384 C MET A 100 14.538 -3.778 -1.609 1.00 5.40 C ATOM 1385 O MET A 100 15.636 -3.245 -1.775 1.00 61.40 O ATOM 1386 CB MET A 100 12.943 -4.692 -3.305 1.00 34.13 C ATOM 1387 CG MET A 100 11.714 -4.478 -4.174 1.00 31.32 C ATOM 1388 SD MET A 100 10.276 -5.389 -3.579 1.00 54.32 S ATOM 1389 CE MET A 100 10.238 -6.755 -4.737 1.00 34.14 C ATOM 0 H MET A 100 14.420 -2.606 -4.127 1.00 50.14 H new ATOM 0 HA MET A 100 12.528 -3.114 -1.906 1.00 20.11 H new ATOM 0 HB2 MET A 100 13.773 -5.012 -3.935 1.00 34.13 H new ATOM 0 HB3 MET A 100 12.745 -5.502 -2.603 1.00 34.13 H new ATOM 0 HG2 MET A 100 11.478 -3.414 -4.207 1.00 31.32 H new ATOM 0 HG3 MET A 100 11.938 -4.786 -5.195 1.00 31.32 H new ATOM 0 HE1 MET A 100 9.314 -6.717 -5.315 1.00 34.14 H new ATOM 0 HE2 MET A 100 11.091 -6.684 -5.412 1.00 34.14 H new ATOM 0 HE3 MET A 100 10.285 -7.697 -4.190 1.00 34.14 H new ATOM 1399 N VAL A 101 14.301 -4.660 -0.643 1.00 43.24 N ATOM 1400 CA VAL A 101 15.341 -5.063 0.296 1.00 13.33 C ATOM 1401 C VAL A 101 15.441 -6.581 0.387 1.00 33.25 C ATOM 1402 O VAL A 101 14.470 -7.294 0.132 1.00 31.20 O ATOM 1403 CB VAL A 101 15.078 -4.491 1.702 1.00 24.24 C ATOM 1404 CG1 VAL A 101 14.983 -2.974 1.653 1.00 50.10 C ATOM 1405 CG2 VAL A 101 13.814 -5.094 2.295 1.00 75.14 C ATOM 0 H VAL A 101 13.398 -5.109 -0.490 1.00 43.24 H new ATOM 0 HA VAL A 101 16.282 -4.663 -0.081 1.00 13.33 H new ATOM 0 HB VAL A 101 15.916 -4.757 2.346 1.00 24.24 H new ATOM 0 HG11 VAL A 101 14.797 -2.589 2.655 1.00 50.10 H new ATOM 0 HG12 VAL A 101 15.919 -2.563 1.274 1.00 50.10 H new ATOM 0 HG13 VAL A 101 14.165 -2.682 0.994 1.00 50.10 H new ATOM 0 HG21 VAL A 101 13.644 -4.678 3.288 1.00 75.14 H new ATOM 0 HG22 VAL A 101 12.964 -4.861 1.654 1.00 75.14 H new ATOM 0 HG23 VAL A 101 13.927 -6.176 2.369 1.00 75.14 H new ATOM 1415 N TYR A 102 16.620 -7.070 0.753 1.00 4.25 N ATOM 1416 CA TYR A 102 16.848 -8.505 0.877 1.00 45.42 C ATOM 1417 C TYR A 102 17.153 -8.886 2.322 1.00 0.43 C ATOM 1418 O TYR A 102 18.156 -8.455 2.892 1.00 4.14 O ATOM 1419 CB TYR A 102 18.001 -8.939 -0.030 1.00 51.14 C ATOM 1420 CG TYR A 102 17.580 -9.206 -1.458 1.00 43.41 C ATOM 1421 CD1 TYR A 102 16.668 -10.210 -1.759 1.00 2.44 C ATOM 1422 CD2 TYR A 102 18.094 -8.452 -2.507 1.00 25.45 C ATOM 1423 CE1 TYR A 102 16.282 -10.457 -3.062 1.00 31.05 C ATOM 1424 CE2 TYR A 102 17.713 -8.692 -3.812 1.00 53.14 C ATOM 1425 CZ TYR A 102 16.807 -9.695 -4.085 1.00 34.51 C ATOM 1426 OH TYR A 102 16.423 -9.938 -5.384 1.00 1.10 O ATOM 0 H TYR A 102 17.433 -6.494 0.969 1.00 4.25 H new ATOM 0 HA TYR A 102 15.938 -9.019 0.569 1.00 45.42 H new ATOM 0 HB2 TYR A 102 18.768 -8.164 -0.025 1.00 51.14 H new ATOM 0 HB3 TYR A 102 18.456 -9.840 0.381 1.00 51.14 H new ATOM 0 HD1 TYR A 102 16.254 -10.808 -0.960 1.00 2.44 H new ATOM 0 HD2 TYR A 102 18.803 -7.665 -2.297 1.00 25.45 H new ATOM 0 HE1 TYR A 102 15.573 -11.242 -3.279 1.00 31.05 H new ATOM 0 HE2 TYR A 102 18.122 -8.097 -4.615 1.00 53.14 H new ATOM 0 HH TYR A 102 16.627 -9.155 -5.937 1.00 1.10 H new ATOM 1436 N LEU A 103 16.280 -9.697 2.910 1.00 41.43 N ATOM 1437 CA LEU A 103 16.454 -10.138 4.289 1.00 22.02 C ATOM 1438 C LEU A 103 17.343 -11.376 4.357 1.00 50.21 C ATOM 1439 O LEU A 103 17.471 -12.132 3.394 1.00 41.45 O ATOM 1440 CB LEU A 103 15.095 -10.437 4.925 1.00 4.52 C ATOM 1441 CG LEU A 103 14.179 -9.233 5.147 1.00 50.43 C ATOM 1442 CD1 LEU A 103 13.208 -9.080 3.986 1.00 44.11 C ATOM 1443 CD2 LEU A 103 13.424 -9.372 6.461 1.00 42.53 C ATOM 0 H LEU A 103 15.445 -10.062 2.453 1.00 41.43 H new ATOM 0 HA LEU A 103 16.939 -9.334 4.843 1.00 22.02 H new ATOM 0 HB2 LEU A 103 14.571 -11.155 4.294 1.00 4.52 H new ATOM 0 HB3 LEU A 103 15.265 -10.921 5.887 1.00 4.52 H new ATOM 0 HG LEU A 103 14.796 -8.336 5.199 1.00 50.43 H new ATOM 0 HD11 LEU A 103 12.564 -8.218 4.161 1.00 44.11 H new ATOM 0 HD12 LEU A 103 13.766 -8.934 3.061 1.00 44.11 H new ATOM 0 HD13 LEU A 103 12.597 -9.979 3.902 1.00 44.11 H new ATOM 0 HD21 LEU A 103 12.777 -8.506 6.602 1.00 42.53 H new ATOM 0 HD22 LEU A 103 12.818 -10.278 6.438 1.00 42.53 H new ATOM 0 HD23 LEU A 103 14.135 -9.432 7.285 1.00 42.53 H new ATOM 1455 N PRO A 104 17.971 -11.591 5.523 1.00 52.24 N ATOM 1456 CA PRO A 104 18.856 -12.738 5.745 1.00 3.40 C ATOM 1457 C PRO A 104 18.093 -14.057 5.800 1.00 5.22 C ATOM 1458 O PRO A 104 17.071 -14.165 6.476 1.00 35.53 O ATOM 1459 CB PRO A 104 19.497 -12.433 7.101 1.00 30.25 C ATOM 1460 CG PRO A 104 18.518 -11.549 7.793 1.00 51.41 C ATOM 1461 CD PRO A 104 17.864 -10.731 6.713 1.00 21.13 C ATOM 0 HA PRO A 104 19.576 -12.861 4.936 1.00 3.40 H new ATOM 0 HB2 PRO A 104 19.676 -13.346 7.669 1.00 30.25 H new ATOM 0 HB3 PRO A 104 20.461 -11.938 6.981 1.00 30.25 H new ATOM 0 HG2 PRO A 104 17.780 -12.136 8.339 1.00 51.41 H new ATOM 0 HG3 PRO A 104 19.017 -10.908 8.520 1.00 51.41 H new ATOM 0 HD2 PRO A 104 16.825 -10.505 6.953 1.00 21.13 H new ATOM 0 HD3 PRO A 104 18.372 -9.778 6.567 1.00 21.13 H new ATOM 1469 N SER A 105 18.598 -15.057 5.085 1.00 20.32 N ATOM 1470 CA SER A 105 17.962 -16.369 5.050 1.00 12.15 C ATOM 1471 C SER A 105 18.180 -17.114 6.364 1.00 45.21 C ATOM 1472 O SER A 105 19.091 -16.794 7.128 1.00 44.41 O ATOM 1473 CB SER A 105 18.511 -17.195 3.885 1.00 15.33 C ATOM 1474 OG SER A 105 18.124 -16.640 2.640 1.00 14.42 O ATOM 0 H SER A 105 19.446 -14.984 4.522 1.00 20.32 H new ATOM 0 HA SER A 105 16.891 -16.222 4.909 1.00 12.15 H new ATOM 0 HB2 SER A 105 19.598 -17.237 3.946 1.00 15.33 H new ATOM 0 HB3 SER A 105 18.148 -18.220 3.959 1.00 15.33 H new ATOM 0 HG SER A 105 18.489 -17.185 1.912 1.00 14.42 H new ATOM 1480 N TYR A 106 17.339 -18.109 6.619 1.00 15.25 N ATOM 1481 CA TYR A 106 17.437 -18.899 7.841 1.00 11.42 C ATOM 1482 C TYR A 106 18.861 -19.404 8.050 1.00 62.01 C ATOM 1483 O TYR A 106 19.332 -19.515 9.181 1.00 11.13 O ATOM 1484 CB TYR A 106 16.467 -20.080 7.789 1.00 60.20 C ATOM 1485 CG TYR A 106 16.980 -21.249 6.978 1.00 32.15 C ATOM 1486 CD1 TYR A 106 17.144 -21.147 5.603 1.00 64.33 C ATOM 1487 CD2 TYR A 106 17.301 -22.455 7.589 1.00 34.41 C ATOM 1488 CE1 TYR A 106 17.612 -22.213 4.858 1.00 12.04 C ATOM 1489 CE2 TYR A 106 17.770 -23.526 6.853 1.00 61.02 C ATOM 1490 CZ TYR A 106 17.923 -23.400 5.488 1.00 65.01 C ATOM 1491 OH TYR A 106 18.391 -24.464 4.750 1.00 13.51 O ATOM 0 H TYR A 106 16.581 -18.388 5.996 1.00 15.25 H new ATOM 0 HA TYR A 106 17.172 -18.257 8.681 1.00 11.42 H new ATOM 0 HB2 TYR A 106 16.262 -20.416 8.805 1.00 60.20 H new ATOM 0 HB3 TYR A 106 15.520 -19.743 7.367 1.00 60.20 H new ATOM 0 HD1 TYR A 106 16.902 -20.219 5.107 1.00 64.33 H new ATOM 0 HD2 TYR A 106 17.182 -22.557 8.658 1.00 34.41 H new ATOM 0 HE1 TYR A 106 17.733 -22.117 3.789 1.00 12.04 H new ATOM 0 HE2 TYR A 106 18.015 -24.456 7.344 1.00 61.02 H new ATOM 0 HH TYR A 106 19.369 -24.420 4.696 1.00 13.51 H new ATOM 1501 N GLU A 107 19.541 -19.708 6.949 1.00 25.30 N ATOM 1502 CA GLU A 107 20.912 -20.202 7.011 1.00 61.21 C ATOM 1503 C GLU A 107 21.839 -19.159 7.628 1.00 40.20 C ATOM 1504 O GLU A 107 22.555 -19.440 8.588 1.00 22.23 O ATOM 1505 CB GLU A 107 21.407 -20.576 5.612 1.00 34.10 C ATOM 1506 CG GLU A 107 22.011 -21.968 5.532 1.00 51.11 C ATOM 1507 CD GLU A 107 21.372 -22.820 4.453 1.00 72.13 C ATOM 1508 OE1 GLU A 107 21.050 -22.274 3.377 1.00 2.41 O ATOM 1509 OE2 GLU A 107 21.194 -24.034 4.684 1.00 32.45 O ATOM 0 H GLU A 107 19.166 -19.621 6.005 1.00 25.30 H new ATOM 0 HA GLU A 107 20.922 -21.091 7.642 1.00 61.21 H new ATOM 0 HB2 GLU A 107 20.575 -20.509 4.911 1.00 34.10 H new ATOM 0 HB3 GLU A 107 22.152 -19.847 5.292 1.00 34.10 H new ATOM 0 HG2 GLU A 107 23.081 -21.885 5.339 1.00 51.11 H new ATOM 0 HG3 GLU A 107 21.899 -22.465 6.496 1.00 51.11 H new ATOM 1516 N MET A 108 21.819 -17.954 7.068 1.00 4.42 N ATOM 1517 CA MET A 108 22.657 -16.868 7.564 1.00 44.34 C ATOM 1518 C MET A 108 22.493 -16.698 9.070 1.00 13.25 C ATOM 1519 O MET A 108 23.476 -16.609 9.807 1.00 52.35 O ATOM 1520 CB MET A 108 22.309 -15.560 6.850 1.00 0.11 C ATOM 1521 CG MET A 108 23.030 -15.381 5.524 1.00 51.51 C ATOM 1522 SD MET A 108 24.808 -15.158 5.724 1.00 30.53 S ATOM 1523 CE MET A 108 25.015 -13.495 5.094 1.00 54.31 C ATOM 0 H MET A 108 21.233 -17.705 6.271 1.00 4.42 H new ATOM 0 HA MET A 108 23.697 -17.121 7.357 1.00 44.34 H new ATOM 0 HB2 MET A 108 21.233 -15.525 6.677 1.00 0.11 H new ATOM 0 HB3 MET A 108 22.554 -14.723 7.503 1.00 0.11 H new ATOM 0 HG2 MET A 108 22.846 -16.251 4.894 1.00 51.51 H new ATOM 0 HG3 MET A 108 22.616 -14.518 5.003 1.00 51.51 H new ATOM 0 HE1 MET A 108 25.799 -13.488 4.337 1.00 54.31 H new ATOM 0 HE2 MET A 108 24.079 -13.155 4.651 1.00 54.31 H new ATOM 0 HE3 MET A 108 25.293 -12.829 5.911 1.00 54.31 H new ATOM 1533 N CYS A 109 21.244 -16.653 9.523 1.00 23.34 N ATOM 1534 CA CYS A 109 20.950 -16.493 10.942 1.00 23.44 C ATOM 1535 C CYS A 109 21.304 -17.759 11.717 1.00 21.53 C ATOM 1536 O CYS A 109 21.649 -17.701 12.898 1.00 74.12 O ATOM 1537 CB CYS A 109 19.472 -16.156 11.143 1.00 13.44 C ATOM 1538 SG CYS A 109 19.063 -15.575 12.821 1.00 20.31 S ATOM 0 H CYS A 109 20.419 -16.725 8.927 1.00 23.34 H new ATOM 0 HA CYS A 109 21.558 -15.673 11.323 1.00 23.44 H new ATOM 0 HB2 CYS A 109 19.184 -15.389 10.424 1.00 13.44 H new ATOM 0 HB3 CYS A 109 18.875 -17.041 10.921 1.00 13.44 H new ATOM 1543 N ARG A 110 21.217 -18.902 11.044 1.00 33.24 N ATOM 1544 CA ARG A 110 21.526 -20.182 11.669 1.00 24.43 C ATOM 1545 C ARG A 110 23.034 -20.358 11.832 1.00 55.42 C ATOM 1546 O ARG A 110 23.490 -21.194 12.612 1.00 45.14 O ATOM 1547 CB ARG A 110 20.955 -21.332 10.837 1.00 44.11 C ATOM 1548 CG ARG A 110 21.018 -22.680 11.536 1.00 14.14 C ATOM 1549 CD ARG A 110 19.687 -23.034 12.182 1.00 23.23 C ATOM 1550 NE ARG A 110 19.676 -24.400 12.699 1.00 63.21 N ATOM 1551 CZ ARG A 110 19.479 -25.472 11.939 1.00 11.30 C ATOM 1552 NH1 ARG A 110 19.278 -25.336 10.636 1.00 74.14 N ATOM 1553 NH2 ARG A 110 19.483 -26.682 12.483 1.00 61.13 N ATOM 0 H ARG A 110 20.935 -18.967 10.066 1.00 33.24 H new ATOM 0 HA ARG A 110 21.067 -20.195 12.657 1.00 24.43 H new ATOM 0 HB2 ARG A 110 19.917 -21.109 10.589 1.00 44.11 H new ATOM 0 HB3 ARG A 110 21.501 -21.394 9.896 1.00 44.11 H new ATOM 0 HG2 ARG A 110 21.292 -23.452 10.817 1.00 14.14 H new ATOM 0 HG3 ARG A 110 21.799 -22.661 12.296 1.00 14.14 H new ATOM 0 HD2 ARG A 110 19.482 -22.337 12.995 1.00 23.23 H new ATOM 0 HD3 ARG A 110 18.887 -22.916 11.451 1.00 23.23 H new ATOM 0 HE ARG A 110 19.828 -24.539 13.698 1.00 63.21 H new ATOM 0 HH11 ARG A 110 19.274 -24.407 10.215 1.00 74.14 H new ATOM 0 HH12 ARG A 110 19.127 -26.160 10.054 1.00 74.14 H new ATOM 0 HH21 ARG A 110 19.637 -26.790 13.485 1.00 61.13 H new ATOM 0 HH22 ARG A 110 19.332 -27.504 11.899 1.00 61.13 H new ATOM 1567 N ILE A 111 23.799 -19.564 11.091 1.00 64.25 N ATOM 1568 CA ILE A 111 25.254 -19.632 11.153 1.00 1.51 C ATOM 1569 C ILE A 111 25.744 -19.599 12.597 1.00 43.13 C ATOM 1570 O ILE A 111 26.774 -20.187 12.928 1.00 21.25 O ATOM 1571 CB ILE A 111 25.905 -18.473 10.375 1.00 3.33 C ATOM 1572 CG1 ILE A 111 25.542 -18.558 8.891 1.00 11.35 C ATOM 1573 CG2 ILE A 111 27.415 -18.494 10.558 1.00 24.45 C ATOM 1574 CD1 ILE A 111 25.870 -19.895 8.265 1.00 44.44 C ATOM 0 H ILE A 111 23.436 -18.867 10.441 1.00 64.25 H new ATOM 0 HA ILE A 111 25.546 -20.576 10.694 1.00 1.51 H new ATOM 0 HB ILE A 111 25.524 -17.531 10.770 1.00 3.33 H new ATOM 0 HG12 ILE A 111 24.476 -18.363 8.774 1.00 11.35 H new ATOM 0 HG13 ILE A 111 26.071 -17.773 8.350 1.00 11.35 H new ATOM 0 HG21 ILE A 111 27.860 -17.669 10.002 1.00 24.45 H new ATOM 0 HG22 ILE A 111 27.655 -18.390 11.616 1.00 24.45 H new ATOM 0 HG23 ILE A 111 27.813 -19.438 10.187 1.00 24.45 H new ATOM 0 HD11 ILE A 111 25.586 -19.884 7.213 1.00 44.44 H new ATOM 0 HD12 ILE A 111 26.940 -20.084 8.350 1.00 44.44 H new ATOM 0 HD13 ILE A 111 25.321 -20.683 8.780 1.00 44.44 H new ATOM 1586 N THR A 112 24.999 -18.908 13.454 1.00 73.22 N ATOM 1587 CA THR A 112 25.356 -18.799 14.862 1.00 3.04 C ATOM 1588 C THR A 112 24.676 -19.885 15.688 1.00 14.52 C ATOM 1589 O THR A 112 24.331 -19.669 16.850 1.00 62.31 O ATOM 1590 CB THR A 112 24.975 -17.420 15.434 1.00 72.24 C ATOM 1591 OG1 THR A 112 23.594 -17.412 15.811 1.00 14.43 O ATOM 1592 CG2 THR A 112 25.234 -16.322 14.414 1.00 53.52 C ATOM 0 H THR A 112 24.144 -18.415 13.197 1.00 73.22 H new ATOM 0 HA THR A 112 26.437 -18.923 14.924 1.00 3.04 H new ATOM 0 HB THR A 112 25.592 -17.231 16.312 1.00 72.24 H new ATOM 0 HG1 THR A 112 23.464 -17.993 16.589 1.00 14.43 H new ATOM 0 HG21 THR A 112 24.958 -15.357 14.840 1.00 53.52 H new ATOM 0 HG22 THR A 112 26.292 -16.313 14.150 1.00 53.52 H new ATOM 0 HG23 THR A 112 24.639 -16.508 13.520 1.00 53.52 H new ATOM 1600 N MET A 113 24.485 -21.051 15.081 1.00 23.42 N ATOM 1601 CA MET A 113 23.847 -22.172 15.763 1.00 51.44 C ATOM 1602 C MET A 113 24.849 -22.919 16.636 1.00 64.41 C ATOM 1603 O MET A 113 24.526 -23.339 17.746 1.00 21.14 O ATOM 1604 CB MET A 113 23.226 -23.129 14.744 1.00 64.43 C ATOM 1605 CG MET A 113 24.245 -23.780 13.822 1.00 43.31 C ATOM 1606 SD MET A 113 23.483 -24.860 12.596 1.00 51.33 S ATOM 1607 CE MET A 113 23.883 -23.989 11.082 1.00 20.14 C ATOM 0 H MET A 113 24.762 -21.245 14.119 1.00 23.42 H new ATOM 0 HA MET A 113 23.060 -21.775 16.404 1.00 51.44 H new ATOM 0 HB2 MET A 113 22.679 -23.908 15.276 1.00 64.43 H new ATOM 0 HB3 MET A 113 22.499 -22.584 14.142 1.00 64.43 H new ATOM 0 HG2 MET A 113 24.816 -23.004 13.312 1.00 43.31 H new ATOM 0 HG3 MET A 113 24.953 -24.356 14.418 1.00 43.31 H new ATOM 0 HE1 MET A 113 23.243 -24.348 10.276 1.00 20.14 H new ATOM 0 HE2 MET A 113 23.723 -22.920 11.224 1.00 20.14 H new ATOM 0 HE3 MET A 113 24.927 -24.168 10.824 1.00 20.14 H new ATOM 1617 N GLU A 114 26.066 -23.082 16.126 1.00 62.32 N ATOM 1618 CA GLU A 114 27.114 -23.781 16.860 1.00 5.12 C ATOM 1619 C GLU A 114 27.284 -23.193 18.258 1.00 11.40 C ATOM 1620 O GLU A 114 27.077 -23.862 19.270 1.00 22.42 O ATOM 1621 CB GLU A 114 28.439 -23.704 16.099 1.00 64.23 C ATOM 1622 CG GLU A 114 28.844 -25.016 15.447 1.00 32.14 C ATOM 1623 CD GLU A 114 28.617 -25.017 13.948 1.00 33.51 C ATOM 1624 OE1 GLU A 114 27.484 -25.323 13.519 1.00 4.42 O ATOM 1625 OE2 GLU A 114 29.572 -24.713 13.204 1.00 43.12 O ATOM 0 H GLU A 114 26.350 -22.740 15.208 1.00 62.32 H new ATOM 0 HA GLU A 114 26.819 -24.826 16.957 1.00 5.12 H new ATOM 0 HB2 GLU A 114 28.363 -22.935 15.331 1.00 64.23 H new ATOM 0 HB3 GLU A 114 29.225 -23.392 16.786 1.00 64.23 H new ATOM 0 HG2 GLU A 114 29.897 -25.209 15.651 1.00 32.14 H new ATOM 0 HG3 GLU A 114 28.277 -25.831 15.897 1.00 32.14 H new ATOM 1632 N PRO A 115 27.670 -21.909 18.317 1.00 70.44 N ATOM 1633 CA PRO A 115 27.876 -21.202 19.584 1.00 42.22 C ATOM 1634 C PRO A 115 26.568 -20.944 20.323 1.00 12.03 C ATOM 1635 O PRO A 115 26.152 -21.739 21.167 1.00 61.34 O ATOM 1636 CB PRO A 115 28.516 -19.880 19.152 1.00 52.10 C ATOM 1637 CG PRO A 115 28.055 -19.677 17.750 1.00 44.52 C ATOM 1638 CD PRO A 115 27.934 -21.050 17.150 1.00 24.23 C ATOM 0 HA PRO A 115 28.486 -21.780 20.279 1.00 42.22 H new ATOM 0 HB2 PRO A 115 28.201 -19.059 19.795 1.00 52.10 H new ATOM 0 HB3 PRO A 115 29.603 -19.930 19.208 1.00 52.10 H new ATOM 0 HG2 PRO A 115 27.098 -19.155 17.726 1.00 44.52 H new ATOM 0 HG3 PRO A 115 28.765 -19.068 17.190 1.00 44.52 H new ATOM 0 HD2 PRO A 115 27.124 -21.101 16.422 1.00 24.23 H new ATOM 0 HD3 PRO A 115 28.847 -21.344 16.632 1.00 24.23 H new ATOM 1646 N CYS A 116 25.922 -19.828 20.002 1.00 10.01 N ATOM 1647 CA CYS A 116 24.660 -19.465 20.636 1.00 42.34 C ATOM 1648 C CYS A 116 23.513 -20.306 20.084 1.00 33.25 C ATOM 1649 O CYS A 116 22.763 -19.859 19.216 1.00 31.44 O ATOM 1650 CB CYS A 116 24.367 -17.979 20.420 1.00 14.32 C ATOM 1651 SG CYS A 116 25.712 -16.871 20.950 1.00 51.50 S ATOM 0 H CYS A 116 26.252 -19.159 19.306 1.00 10.01 H new ATOM 0 HA CYS A 116 24.749 -19.660 21.705 1.00 42.34 H new ATOM 0 HB2 CYS A 116 24.167 -17.809 19.362 1.00 14.32 H new ATOM 0 HB3 CYS A 116 23.459 -17.716 20.963 1.00 14.32 H new ATOM 1656 N ARG A 117 23.383 -21.526 20.595 1.00 34.24 N ATOM 1657 CA ARG A 117 22.328 -22.431 20.154 1.00 13.33 C ATOM 1658 C ARG A 117 21.014 -22.122 20.866 1.00 31.14 C ATOM 1659 O ARG A 117 19.937 -22.467 20.379 1.00 12.31 O ATOM 1660 CB ARG A 117 22.731 -23.884 20.413 1.00 42.53 C ATOM 1661 CG ARG A 117 21.565 -24.858 20.362 1.00 4.54 C ATOM 1662 CD ARG A 117 22.043 -26.301 20.413 1.00 14.53 C ATOM 1663 NE ARG A 117 21.425 -27.118 19.373 1.00 62.24 N ATOM 1664 CZ ARG A 117 21.587 -28.433 19.278 1.00 22.34 C ATOM 1665 NH1 ARG A 117 22.343 -29.076 20.158 1.00 33.11 N ATOM 1666 NH2 ARG A 117 20.992 -29.108 18.303 1.00 64.11 N ATOM 0 H ARG A 117 23.995 -21.911 21.315 1.00 34.24 H new ATOM 0 HA ARG A 117 22.184 -22.286 19.083 1.00 13.33 H new ATOM 0 HB2 ARG A 117 23.475 -24.183 19.675 1.00 42.53 H new ATOM 0 HB3 ARG A 117 23.207 -23.951 21.391 1.00 42.53 H new ATOM 0 HG2 ARG A 117 20.892 -24.666 21.198 1.00 4.54 H new ATOM 0 HG3 ARG A 117 20.993 -24.695 19.449 1.00 4.54 H new ATOM 0 HD2 ARG A 117 23.127 -26.328 20.300 1.00 14.53 H new ATOM 0 HD3 ARG A 117 21.814 -26.725 21.391 1.00 14.53 H new ATOM 0 HE ARG A 117 20.836 -26.654 18.681 1.00 62.24 H new ATOM 0 HH11 ARG A 117 22.801 -28.561 20.910 1.00 33.11 H new ATOM 0 HH12 ARG A 117 22.466 -30.086 20.083 1.00 33.11 H new ATOM 0 HH21 ARG A 117 20.409 -28.617 17.625 1.00 64.11 H new ATOM 0 HH22 ARG A 117 21.117 -30.118 18.231 1.00 64.11 H new ATOM 1680 N ILE A 118 21.111 -21.472 22.021 1.00 3.10 N ATOM 1681 CA ILE A 118 19.931 -21.117 22.799 1.00 0.11 C ATOM 1682 C ILE A 118 19.037 -20.150 22.031 1.00 13.30 C ATOM 1683 O ILE A 118 17.873 -19.951 22.382 1.00 11.31 O ATOM 1684 CB ILE A 118 20.316 -20.481 24.148 1.00 63.20 C ATOM 1685 CG1 ILE A 118 21.301 -21.381 24.898 1.00 53.10 C ATOM 1686 CG2 ILE A 118 19.074 -20.230 24.989 1.00 13.31 C ATOM 1687 CD1 ILE A 118 20.787 -22.786 25.119 1.00 31.32 C ATOM 0 H ILE A 118 21.995 -21.181 22.438 1.00 3.10 H new ATOM 0 HA ILE A 118 19.386 -22.042 22.985 1.00 0.11 H new ATOM 0 HB ILE A 118 20.801 -19.524 23.956 1.00 63.20 H new ATOM 0 HG12 ILE A 118 22.236 -21.428 24.339 1.00 53.10 H new ATOM 0 HG13 ILE A 118 21.530 -20.930 25.864 1.00 53.10 H new ATOM 0 HG21 ILE A 118 19.363 -19.780 25.939 1.00 13.31 H new ATOM 0 HG22 ILE A 118 18.404 -19.555 24.456 1.00 13.31 H new ATOM 0 HG23 ILE A 118 18.564 -21.175 25.175 1.00 13.31 H new ATOM 0 HD11 ILE A 118 21.537 -23.367 25.656 1.00 31.32 H new ATOM 0 HD12 ILE A 118 19.868 -22.749 25.704 1.00 31.32 H new ATOM 0 HD13 ILE A 118 20.585 -23.255 24.156 1.00 31.32 H new ATOM 1699 N LEU A 119 19.587 -19.552 20.980 1.00 11.31 N ATOM 1700 CA LEU A 119 18.839 -18.606 20.159 1.00 14.25 C ATOM 1701 C LEU A 119 18.204 -19.306 18.962 1.00 23.42 C ATOM 1702 O LEU A 119 18.022 -18.705 17.903 1.00 23.31 O ATOM 1703 CB LEU A 119 19.756 -17.480 19.679 1.00 61.11 C ATOM 1704 CG LEU A 119 20.089 -16.400 20.709 1.00 51.34 C ATOM 1705 CD1 LEU A 119 18.815 -15.781 21.263 1.00 4.44 C ATOM 1706 CD2 LEU A 119 20.937 -16.977 21.832 1.00 32.35 C ATOM 0 H LEU A 119 20.549 -19.705 20.676 1.00 11.31 H new ATOM 0 HA LEU A 119 18.044 -18.182 20.772 1.00 14.25 H new ATOM 0 HB2 LEU A 119 20.690 -17.922 19.331 1.00 61.11 H new ATOM 0 HB3 LEU A 119 19.290 -17.001 18.818 1.00 61.11 H new ATOM 0 HG LEU A 119 20.663 -15.617 20.214 1.00 51.34 H new ATOM 0 HD11 LEU A 119 19.071 -15.015 21.994 1.00 4.44 H new ATOM 0 HD12 LEU A 119 18.246 -15.331 20.450 1.00 4.44 H new ATOM 0 HD13 LEU A 119 18.214 -16.554 21.742 1.00 4.44 H new ATOM 0 HD21 LEU A 119 21.164 -16.194 22.555 1.00 32.35 H new ATOM 0 HD22 LEU A 119 20.389 -17.780 22.326 1.00 32.35 H new ATOM 0 HD23 LEU A 119 21.866 -17.371 21.421 1.00 32.35 H new ATOM 1718 N TYR A 120 17.868 -20.579 19.138 1.00 22.32 N ATOM 1719 CA TYR A 120 17.254 -21.362 18.072 1.00 21.14 C ATOM 1720 C TYR A 120 16.122 -20.584 17.408 1.00 21.41 C ATOM 1721 O TYR A 120 15.868 -20.735 16.214 1.00 44.32 O ATOM 1722 CB TYR A 120 16.723 -22.686 18.624 1.00 31.04 C ATOM 1723 CG TYR A 120 16.345 -22.624 20.087 1.00 14.10 C ATOM 1724 CD1 TYR A 120 15.228 -21.910 20.506 1.00 24.32 C ATOM 1725 CD2 TYR A 120 17.104 -23.278 21.050 1.00 55.32 C ATOM 1726 CE1 TYR A 120 14.879 -21.850 21.841 1.00 21.15 C ATOM 1727 CE2 TYR A 120 16.761 -23.224 22.387 1.00 71.21 C ATOM 1728 CZ TYR A 120 15.648 -22.509 22.778 1.00 62.02 C ATOM 1729 OH TYR A 120 15.304 -22.452 24.109 1.00 24.11 O ATOM 0 H TYR A 120 18.010 -21.091 20.009 1.00 22.32 H new ATOM 0 HA TYR A 120 18.017 -21.569 17.322 1.00 21.14 H new ATOM 0 HB2 TYR A 120 15.851 -22.988 18.044 1.00 31.04 H new ATOM 0 HB3 TYR A 120 17.480 -23.458 18.485 1.00 31.04 H new ATOM 0 HD1 TYR A 120 14.623 -21.394 19.775 1.00 24.32 H new ATOM 0 HD2 TYR A 120 17.977 -23.838 20.748 1.00 55.32 H new ATOM 0 HE1 TYR A 120 14.009 -21.290 22.150 1.00 21.15 H new ATOM 0 HE2 TYR A 120 17.361 -23.739 23.122 1.00 71.21 H new ATOM 0 HH TYR A 120 15.948 -22.970 24.636 1.00 24.11 H new ATOM 1739 N ASN A 121 15.445 -19.752 18.192 1.00 3.24 N ATOM 1740 CA ASN A 121 14.340 -18.949 17.682 1.00 72.33 C ATOM 1741 C ASN A 121 13.756 -18.066 18.780 1.00 33.22 C ATOM 1742 O ASN A 121 13.315 -16.945 18.523 1.00 35.52 O ATOM 1743 CB ASN A 121 13.249 -19.854 17.105 1.00 30.23 C ATOM 1744 CG ASN A 121 13.015 -21.090 17.953 1.00 41.21 C ATOM 1745 OD1 ASN A 121 13.443 -22.189 17.600 1.00 42.34 O ATOM 1746 ND2 ASN A 121 12.332 -20.914 19.078 1.00 24.54 N ATOM 0 H ASN A 121 15.642 -19.616 19.183 1.00 3.24 H new ATOM 0 HA ASN A 121 14.726 -18.306 16.891 1.00 72.33 H new ATOM 0 HB2 ASN A 121 12.319 -19.291 17.024 1.00 30.23 H new ATOM 0 HB3 ASN A 121 13.528 -20.157 16.096 1.00 30.23 H new ATOM 0 HD21 ASN A 121 12.143 -21.708 19.689 1.00 24.54 H new ATOM 0 HD22 ASN A 121 11.996 -19.985 19.331 1.00 24.54 H new ATOM 1753 N THR A 122 13.756 -18.579 20.007 1.00 44.40 N ATOM 1754 CA THR A 122 13.227 -17.838 21.145 1.00 54.01 C ATOM 1755 C THR A 122 13.834 -16.442 21.224 1.00 64.24 C ATOM 1756 O THR A 122 14.891 -16.180 20.649 1.00 65.14 O ATOM 1757 CB THR A 122 13.493 -18.577 22.470 1.00 64.13 C ATOM 1758 OG1 THR A 122 12.920 -17.849 23.561 1.00 11.11 O ATOM 1759 CG2 THR A 122 14.987 -18.753 22.700 1.00 72.11 C ATOM 0 H THR A 122 14.117 -19.505 20.237 1.00 44.40 H new ATOM 0 HA THR A 122 12.151 -17.755 20.994 1.00 54.01 H new ATOM 0 HB THR A 122 13.031 -19.563 22.410 1.00 64.13 H new ATOM 0 HG1 THR A 122 13.092 -18.327 24.399 1.00 11.11 H new ATOM 0 HG21 THR A 122 15.151 -19.277 23.641 1.00 72.11 H new ATOM 0 HG22 THR A 122 15.415 -19.333 21.882 1.00 72.11 H new ATOM 0 HG23 THR A 122 15.467 -17.775 22.741 1.00 72.11 H new ATOM 1767 N THR A 123 13.160 -15.548 21.940 1.00 44.31 N ATOM 1768 CA THR A 123 13.634 -14.178 22.093 1.00 11.05 C ATOM 1769 C THR A 123 14.432 -14.013 23.382 1.00 60.32 C ATOM 1770 O THR A 123 13.872 -14.033 24.478 1.00 73.21 O ATOM 1771 CB THR A 123 12.464 -13.176 22.096 1.00 30.02 C ATOM 1772 OG1 THR A 123 11.453 -13.606 23.014 1.00 33.23 O ATOM 1773 CG2 THR A 123 11.867 -13.038 20.704 1.00 15.10 C ATOM 0 H THR A 123 12.284 -15.748 22.423 1.00 44.31 H new ATOM 0 HA THR A 123 14.279 -13.970 21.240 1.00 11.05 H new ATOM 0 HB THR A 123 12.847 -12.204 22.408 1.00 30.02 H new ATOM 0 HG1 THR A 123 11.874 -13.911 23.845 1.00 33.23 H new ATOM 0 HG21 THR A 123 11.043 -12.325 20.731 1.00 15.10 H new ATOM 0 HG22 THR A 123 12.632 -12.682 20.014 1.00 15.10 H new ATOM 0 HG23 THR A 123 11.498 -14.007 20.369 1.00 15.10 H new ATOM 1781 N PHE A 124 15.744 -13.850 23.243 1.00 34.10 N ATOM 1782 CA PHE A 124 16.619 -13.682 24.397 1.00 63.01 C ATOM 1783 C PHE A 124 17.284 -12.309 24.380 1.00 40.43 C ATOM 1784 O PHE A 124 17.150 -11.530 25.324 1.00 41.22 O ATOM 1785 CB PHE A 124 17.687 -14.778 24.417 1.00 2.32 C ATOM 1786 CG PHE A 124 17.676 -15.603 25.672 1.00 12.44 C ATOM 1787 CD1 PHE A 124 17.837 -15.004 26.912 1.00 64.33 C ATOM 1788 CD2 PHE A 124 17.503 -16.976 25.613 1.00 1.01 C ATOM 1789 CE1 PHE A 124 17.828 -15.761 28.068 1.00 22.20 C ATOM 1790 CE2 PHE A 124 17.493 -17.738 26.766 1.00 35.12 C ATOM 1791 CZ PHE A 124 17.654 -17.130 27.995 1.00 3.54 C ATOM 0 H PHE A 124 16.224 -13.831 22.343 1.00 34.10 H new ATOM 0 HA PHE A 124 16.010 -13.760 25.298 1.00 63.01 H new ATOM 0 HB2 PHE A 124 17.539 -15.434 23.559 1.00 2.32 H new ATOM 0 HB3 PHE A 124 18.669 -14.319 24.302 1.00 2.32 H new ATOM 0 HD1 PHE A 124 17.971 -13.934 26.975 1.00 64.33 H new ATOM 0 HD2 PHE A 124 17.374 -17.457 24.655 1.00 1.01 H new ATOM 0 HE1 PHE A 124 17.957 -15.283 29.028 1.00 22.20 H new ATOM 0 HE2 PHE A 124 17.359 -18.808 26.706 1.00 35.12 H new ATOM 0 HZ PHE A 124 17.644 -17.723 28.898 1.00 3.54 H new ATOM 1801 N PHE A 125 18.002 -12.019 23.300 1.00 53.25 N ATOM 1802 CA PHE A 125 18.689 -10.741 23.159 1.00 43.52 C ATOM 1803 C PHE A 125 18.804 -10.343 21.690 1.00 73.30 C ATOM 1804 O PHE A 125 19.873 -10.413 21.083 1.00 11.34 O ATOM 1805 CB PHE A 125 20.082 -10.814 23.789 1.00 73.21 C ATOM 1806 CG PHE A 125 20.097 -10.469 25.251 1.00 62.43 C ATOM 1807 CD1 PHE A 125 19.635 -9.240 25.691 1.00 51.31 C ATOM 1808 CD2 PHE A 125 20.575 -11.375 26.184 1.00 13.15 C ATOM 1809 CE1 PHE A 125 19.647 -8.919 27.035 1.00 24.35 C ATOM 1810 CE2 PHE A 125 20.589 -11.060 27.530 1.00 22.32 C ATOM 1811 CZ PHE A 125 20.126 -9.831 27.956 1.00 2.41 C ATOM 0 H PHE A 125 18.123 -12.652 22.510 1.00 53.25 H new ATOM 0 HA PHE A 125 18.102 -9.983 23.678 1.00 43.52 H new ATOM 0 HB2 PHE A 125 20.479 -11.820 23.657 1.00 73.21 H new ATOM 0 HB3 PHE A 125 20.749 -10.136 23.257 1.00 73.21 H new ATOM 0 HD1 PHE A 125 19.261 -8.523 24.975 1.00 51.31 H new ATOM 0 HD2 PHE A 125 20.940 -12.337 25.856 1.00 13.15 H new ATOM 0 HE1 PHE A 125 19.283 -7.957 27.365 1.00 24.35 H new ATOM 0 HE2 PHE A 125 20.962 -11.775 28.248 1.00 22.32 H new ATOM 0 HZ PHE A 125 20.138 -9.583 29.007 1.00 2.41 H new ATOM 1821 N PRO A 126 17.675 -9.917 21.103 1.00 24.02 N ATOM 1822 CA PRO A 126 17.622 -9.500 19.699 1.00 61.22 C ATOM 1823 C PRO A 126 18.360 -8.188 19.455 1.00 25.51 C ATOM 1824 O PRO A 126 18.516 -7.754 18.314 1.00 63.45 O ATOM 1825 CB PRO A 126 16.124 -9.327 19.437 1.00 70.33 C ATOM 1826 CG PRO A 126 15.536 -9.039 20.775 1.00 41.11 C ATOM 1827 CD PRO A 126 16.365 -9.809 21.766 1.00 52.42 C ATOM 0 HA PRO A 126 18.104 -10.223 19.041 1.00 61.22 H new ATOM 0 HB2 PRO A 126 15.936 -8.512 18.738 1.00 70.33 H new ATOM 0 HB3 PRO A 126 15.692 -10.227 19.000 1.00 70.33 H new ATOM 0 HG2 PRO A 126 15.562 -7.971 20.991 1.00 41.11 H new ATOM 0 HG3 PRO A 126 14.491 -9.347 20.817 1.00 41.11 H new ATOM 0 HD2 PRO A 126 16.439 -9.287 22.720 1.00 52.42 H new ATOM 0 HD3 PRO A 126 15.937 -10.790 21.972 1.00 52.42 H new ATOM 1835 N LYS A 127 18.814 -7.561 20.535 1.00 41.23 N ATOM 1836 CA LYS A 127 19.538 -6.299 20.439 1.00 1.20 C ATOM 1837 C LYS A 127 20.878 -6.492 19.736 1.00 21.33 C ATOM 1838 O LYS A 127 21.419 -5.559 19.142 1.00 23.44 O ATOM 1839 CB LYS A 127 19.762 -5.709 21.833 1.00 11.51 C ATOM 1840 CG LYS A 127 20.369 -6.691 22.820 1.00 73.25 C ATOM 1841 CD LYS A 127 21.362 -6.010 23.746 1.00 42.13 C ATOM 1842 CE LYS A 127 20.665 -5.066 24.713 1.00 2.41 C ATOM 1843 NZ LYS A 127 21.617 -4.101 25.329 1.00 4.42 N ATOM 0 H LYS A 127 18.693 -7.906 21.487 1.00 41.23 H new ATOM 0 HA LYS A 127 18.935 -5.607 19.850 1.00 1.20 H new ATOM 0 HB2 LYS A 127 20.415 -4.840 21.750 1.00 11.51 H new ATOM 0 HB3 LYS A 127 18.809 -5.355 22.226 1.00 11.51 H new ATOM 0 HG2 LYS A 127 19.577 -7.151 23.410 1.00 73.25 H new ATOM 0 HG3 LYS A 127 20.868 -7.493 22.276 1.00 73.25 H new ATOM 0 HD2 LYS A 127 21.915 -6.764 24.307 1.00 42.13 H new ATOM 0 HD3 LYS A 127 22.090 -5.455 23.155 1.00 42.13 H new ATOM 0 HE2 LYS A 127 19.883 -4.519 24.186 1.00 2.41 H new ATOM 0 HE3 LYS A 127 20.176 -5.645 25.497 1.00 2.41 H new ATOM 0 HZ1 LYS A 127 21.128 -3.202 25.516 1.00 4.42 H new ATOM 0 HZ2 LYS A 127 21.977 -4.492 26.223 1.00 4.42 H new ATOM 0 HZ3 LYS A 127 22.412 -3.934 24.679 1.00 4.42 H new ATOM 1857 N PHE A 128 21.408 -7.709 19.807 1.00 73.03 N ATOM 1858 CA PHE A 128 22.684 -8.025 19.177 1.00 44.34 C ATOM 1859 C PHE A 128 22.504 -9.061 18.071 1.00 52.52 C ATOM 1860 O PHE A 128 23.345 -9.188 17.180 1.00 52.42 O ATOM 1861 CB PHE A 128 23.677 -8.543 20.219 1.00 44.10 C ATOM 1862 CG PHE A 128 24.042 -9.988 20.034 1.00 74.25 C ATOM 1863 CD1 PHE A 128 25.069 -10.353 19.179 1.00 61.32 C ATOM 1864 CD2 PHE A 128 23.356 -10.982 20.714 1.00 51.24 C ATOM 1865 CE1 PHE A 128 25.407 -11.682 19.006 1.00 20.41 C ATOM 1866 CE2 PHE A 128 23.690 -12.312 20.545 1.00 34.43 C ATOM 1867 CZ PHE A 128 24.716 -12.663 19.690 1.00 74.25 C ATOM 0 H PHE A 128 20.973 -8.492 20.295 1.00 73.03 H new ATOM 0 HA PHE A 128 23.077 -7.110 18.733 1.00 44.34 H new ATOM 0 HB2 PHE A 128 24.584 -7.939 20.177 1.00 44.10 H new ATOM 0 HB3 PHE A 128 23.251 -8.409 21.213 1.00 44.10 H new ATOM 0 HD1 PHE A 128 25.612 -9.590 18.641 1.00 61.32 H new ATOM 0 HD2 PHE A 128 22.552 -10.714 21.383 1.00 51.24 H new ATOM 0 HE1 PHE A 128 26.210 -11.953 18.337 1.00 20.41 H new ATOM 0 HE2 PHE A 128 23.149 -13.077 21.082 1.00 34.43 H new ATOM 0 HZ PHE A 128 24.978 -13.702 19.556 1.00 74.25 H new ATOM 1877 N LEU A 129 21.402 -9.799 18.135 1.00 74.21 N ATOM 1878 CA LEU A 129 21.109 -10.825 17.140 1.00 62.21 C ATOM 1879 C LEU A 129 19.762 -10.568 16.472 1.00 44.32 C ATOM 1880 O LEU A 129 19.002 -11.499 16.205 1.00 5.11 O ATOM 1881 CB LEU A 129 21.112 -12.210 17.790 1.00 4.22 C ATOM 1882 CG LEU A 129 20.034 -12.458 18.846 1.00 61.14 C ATOM 1883 CD1 LEU A 129 18.961 -13.389 18.303 1.00 20.55 C ATOM 1884 CD2 LEU A 129 20.651 -13.032 20.113 1.00 74.21 C ATOM 0 H LEU A 129 20.696 -9.706 18.865 1.00 74.21 H new ATOM 0 HA LEU A 129 21.886 -10.787 16.376 1.00 62.21 H new ATOM 0 HB2 LEU A 129 21.002 -12.958 17.005 1.00 4.22 H new ATOM 0 HB3 LEU A 129 22.087 -12.371 18.250 1.00 4.22 H new ATOM 0 HG LEU A 129 19.567 -11.505 19.094 1.00 61.14 H new ATOM 0 HD11 LEU A 129 18.202 -13.555 19.068 1.00 20.55 H new ATOM 0 HD12 LEU A 129 18.499 -12.938 17.425 1.00 20.55 H new ATOM 0 HD13 LEU A 129 19.412 -14.342 18.027 1.00 20.55 H new ATOM 0 HD21 LEU A 129 19.869 -13.202 20.853 1.00 74.21 H new ATOM 0 HD22 LEU A 129 21.144 -13.976 19.882 1.00 74.21 H new ATOM 0 HD23 LEU A 129 21.382 -12.329 20.512 1.00 74.21 H new ATOM 1896 N ARG A 130 19.474 -9.299 16.202 1.00 4.42 N ATOM 1897 CA ARG A 130 18.220 -8.919 15.564 1.00 12.31 C ATOM 1898 C ARG A 130 18.114 -9.527 14.169 1.00 74.13 C ATOM 1899 O ARG A 130 18.555 -8.932 13.185 1.00 33.10 O ATOM 1900 CB ARG A 130 18.108 -7.396 15.478 1.00 54.52 C ATOM 1901 CG ARG A 130 16.851 -6.840 16.128 1.00 4.43 C ATOM 1902 CD ARG A 130 17.066 -5.421 16.633 1.00 62.14 C ATOM 1903 NE ARG A 130 15.997 -4.991 17.529 1.00 35.22 N ATOM 1904 CZ ARG A 130 16.061 -3.895 18.277 1.00 32.44 C ATOM 1905 NH1 ARG A 130 17.138 -3.123 18.236 1.00 15.23 N ATOM 1906 NH2 ARG A 130 15.046 -3.570 19.069 1.00 63.45 N ATOM 0 H ARG A 130 20.093 -8.517 16.415 1.00 4.42 H new ATOM 0 HA ARG A 130 17.401 -9.303 16.172 1.00 12.31 H new ATOM 0 HB2 ARG A 130 18.981 -6.949 15.953 1.00 54.52 H new ATOM 0 HB3 ARG A 130 18.127 -7.097 14.430 1.00 54.52 H new ATOM 0 HG2 ARG A 130 16.032 -6.851 15.408 1.00 4.43 H new ATOM 0 HG3 ARG A 130 16.555 -7.482 16.958 1.00 4.43 H new ATOM 0 HD2 ARG A 130 18.021 -5.363 17.155 1.00 62.14 H new ATOM 0 HD3 ARG A 130 17.124 -4.739 15.785 1.00 62.14 H new ATOM 0 HE ARG A 130 15.155 -5.563 17.584 1.00 35.22 H new ATOM 0 HH11 ARG A 130 17.920 -3.370 17.629 1.00 15.23 H new ATOM 0 HH12 ARG A 130 17.185 -2.282 18.811 1.00 15.23 H new ATOM 0 HH21 ARG A 130 14.216 -4.162 19.103 1.00 63.45 H new ATOM 0 HH22 ARG A 130 15.096 -2.728 19.643 1.00 63.45 H new ATOM 1920 N CYS A 131 17.526 -10.716 14.091 1.00 61.43 N ATOM 1921 CA CYS A 131 17.362 -11.407 12.817 1.00 2.22 C ATOM 1922 C CYS A 131 15.997 -12.085 12.738 1.00 43.45 C ATOM 1923 O CYS A 131 15.415 -12.451 13.757 1.00 34.20 O ATOM 1924 CB CYS A 131 18.471 -12.444 12.629 1.00 32.43 C ATOM 1925 SG CYS A 131 18.078 -14.085 13.318 1.00 43.31 S ATOM 0 H CYS A 131 17.155 -11.222 14.895 1.00 61.43 H new ATOM 0 HA CYS A 131 17.427 -10.667 12.019 1.00 2.22 H new ATOM 0 HB2 CYS A 131 18.679 -12.549 11.564 1.00 32.43 H new ATOM 0 HB3 CYS A 131 19.383 -12.074 13.097 1.00 32.43 H new ATOM 1930 N ASN A 132 15.494 -12.248 11.518 1.00 10.52 N ATOM 1931 CA ASN A 132 14.198 -12.881 11.305 1.00 53.22 C ATOM 1932 C ASN A 132 14.115 -14.213 12.043 1.00 21.41 C ATOM 1933 O ASN A 132 15.123 -14.895 12.227 1.00 11.04 O ATOM 1934 CB ASN A 132 13.952 -13.097 9.810 1.00 23.02 C ATOM 1935 CG ASN A 132 15.224 -13.444 9.060 1.00 53.53 C ATOM 1936 OD1 ASN A 132 15.591 -12.773 8.095 1.00 54.32 O ATOM 1937 ND2 ASN A 132 15.903 -14.496 9.501 1.00 74.13 N ATOM 0 H ASN A 132 15.964 -11.951 10.663 1.00 10.52 H new ATOM 0 HA ASN A 132 13.429 -12.218 11.701 1.00 53.22 H new ATOM 0 HB2 ASN A 132 13.224 -13.897 9.676 1.00 23.02 H new ATOM 0 HB3 ASN A 132 13.516 -12.195 9.382 1.00 23.02 H new ATOM 0 HD21 ASN A 132 16.766 -14.777 9.036 1.00 74.13 H new ATOM 0 HD22 ASN A 132 15.561 -15.023 10.305 1.00 74.13 H new ATOM 1944 N GLU A 133 12.907 -14.578 12.462 1.00 4.45 N ATOM 1945 CA GLU A 133 12.694 -15.829 13.181 1.00 51.42 C ATOM 1946 C GLU A 133 11.204 -16.120 13.335 1.00 60.00 C ATOM 1947 O GLU A 133 10.388 -15.204 13.449 1.00 25.34 O ATOM 1948 CB GLU A 133 13.359 -15.772 14.558 1.00 51.33 C ATOM 1949 CG GLU A 133 14.530 -16.728 14.708 1.00 43.32 C ATOM 1950 CD GLU A 133 15.568 -16.228 15.694 1.00 22.30 C ATOM 1951 OE1 GLU A 133 15.297 -15.221 16.381 1.00 34.20 O ATOM 1952 OE2 GLU A 133 16.651 -16.844 15.779 1.00 44.42 O ATOM 0 H GLU A 133 12.062 -14.026 12.316 1.00 4.45 H new ATOM 0 HA GLU A 133 13.146 -16.633 12.601 1.00 51.42 H new ATOM 0 HB2 GLU A 133 13.705 -14.755 14.743 1.00 51.33 H new ATOM 0 HB3 GLU A 133 12.615 -16.000 15.321 1.00 51.33 H new ATOM 0 HG2 GLU A 133 14.161 -17.700 15.036 1.00 43.32 H new ATOM 0 HG3 GLU A 133 15.000 -16.877 13.736 1.00 43.32 H new ATOM 1959 N THR A 134 10.855 -17.403 13.337 1.00 51.13 N ATOM 1960 CA THR A 134 9.464 -17.816 13.475 1.00 63.42 C ATOM 1961 C THR A 134 8.569 -17.073 12.490 1.00 2.32 C ATOM 1962 O THR A 134 7.385 -16.858 12.752 1.00 11.41 O ATOM 1963 CB THR A 134 8.946 -17.575 14.905 1.00 30.52 C ATOM 1964 OG1 THR A 134 8.668 -16.184 15.098 1.00 72.14 O ATOM 1965 CG2 THR A 134 9.964 -18.042 15.935 1.00 12.52 C ATOM 0 H THR A 134 11.517 -18.174 13.245 1.00 51.13 H new ATOM 0 HA THR A 134 9.429 -18.884 13.259 1.00 63.42 H new ATOM 0 HB THR A 134 8.029 -18.149 15.037 1.00 30.52 H new ATOM 0 HG1 THR A 134 9.163 -15.657 14.437 1.00 72.14 H new ATOM 0 HG21 THR A 134 9.576 -17.862 16.938 1.00 12.52 H new ATOM 0 HG22 THR A 134 10.151 -19.108 15.805 1.00 12.52 H new ATOM 0 HG23 THR A 134 10.895 -17.491 15.802 1.00 12.52 H new ATOM 1973 N LEU A 135 9.141 -16.682 11.356 1.00 21.45 N ATOM 1974 CA LEU A 135 8.394 -15.963 10.331 1.00 51.41 C ATOM 1975 C LEU A 135 8.478 -16.683 8.989 1.00 21.32 C ATOM 1976 O LEU A 135 8.152 -16.116 7.946 1.00 2.13 O ATOM 1977 CB LEU A 135 8.927 -14.536 10.191 1.00 40.34 C ATOM 1978 CG LEU A 135 10.129 -14.357 9.263 1.00 40.54 C ATOM 1979 CD1 LEU A 135 10.682 -12.944 9.373 1.00 65.34 C ATOM 1980 CD2 LEU A 135 11.208 -15.381 9.583 1.00 11.44 C ATOM 0 H LEU A 135 10.120 -16.851 11.124 1.00 21.45 H new ATOM 0 HA LEU A 135 7.349 -15.926 10.637 1.00 51.41 H new ATOM 0 HB2 LEU A 135 8.118 -13.901 9.831 1.00 40.34 H new ATOM 0 HB3 LEU A 135 9.201 -14.173 11.182 1.00 40.34 H new ATOM 0 HG LEU A 135 9.798 -14.517 8.237 1.00 40.54 H new ATOM 0 HD11 LEU A 135 11.537 -12.835 8.706 1.00 65.34 H new ATOM 0 HD12 LEU A 135 9.909 -12.228 9.093 1.00 65.34 H new ATOM 0 HD13 LEU A 135 10.997 -12.755 10.399 1.00 65.34 H new ATOM 0 HD21 LEU A 135 12.055 -15.238 8.913 1.00 11.44 H new ATOM 0 HD22 LEU A 135 11.536 -15.254 10.615 1.00 11.44 H new ATOM 0 HD23 LEU A 135 10.807 -16.386 9.451 1.00 11.44 H new ATOM 1992 N PHE A 136 8.916 -17.938 9.024 1.00 55.33 N ATOM 1993 CA PHE A 136 9.041 -18.737 7.811 1.00 63.15 C ATOM 1994 C PHE A 136 10.112 -18.161 6.888 1.00 15.20 C ATOM 1995 O PHE A 136 9.826 -17.662 5.799 1.00 14.14 O ATOM 1996 CB PHE A 136 7.701 -18.803 7.076 1.00 15.33 C ATOM 1997 CG PHE A 136 6.537 -19.097 7.979 1.00 73.43 C ATOM 1998 CD1 PHE A 136 6.332 -20.376 8.472 1.00 52.10 C ATOM 1999 CD2 PHE A 136 5.647 -18.096 8.333 1.00 1.04 C ATOM 2000 CE1 PHE A 136 5.262 -20.650 9.303 1.00 71.40 C ATOM 2001 CE2 PHE A 136 4.576 -18.364 9.164 1.00 31.53 C ATOM 2002 CZ PHE A 136 4.382 -19.643 9.649 1.00 63.43 C ATOM 0 H PHE A 136 9.190 -18.423 9.879 1.00 55.33 H new ATOM 0 HA PHE A 136 9.338 -19.745 8.100 1.00 63.15 H new ATOM 0 HB2 PHE A 136 7.527 -17.854 6.569 1.00 15.33 H new ATOM 0 HB3 PHE A 136 7.756 -19.571 6.305 1.00 15.33 H new ATOM 0 HD1 PHE A 136 7.016 -21.168 8.204 1.00 52.10 H new ATOM 0 HD2 PHE A 136 5.792 -17.095 7.955 1.00 1.04 H new ATOM 0 HE1 PHE A 136 5.114 -21.651 9.681 1.00 71.40 H new ATOM 0 HE2 PHE A 136 3.891 -17.574 9.434 1.00 31.53 H new ATOM 0 HZ PHE A 136 3.544 -19.855 10.297 1.00 63.43 H new ATOM 2012 N PRO A 137 11.375 -18.230 7.333 1.00 40.12 N ATOM 2013 CA PRO A 137 12.514 -17.720 6.564 1.00 61.44 C ATOM 2014 C PRO A 137 12.800 -18.563 5.325 1.00 4.41 C ATOM 2015 O PRO A 137 12.947 -18.035 4.222 1.00 13.31 O ATOM 2016 CB PRO A 137 13.679 -17.811 7.553 1.00 51.44 C ATOM 2017 CG PRO A 137 13.286 -18.888 8.503 1.00 21.41 C ATOM 2018 CD PRO A 137 11.789 -18.811 8.621 1.00 60.42 C ATOM 0 HA PRO A 137 12.334 -16.713 6.188 1.00 61.44 H new ATOM 0 HB2 PRO A 137 14.612 -18.053 7.044 1.00 51.44 H new ATOM 0 HB3 PRO A 137 13.834 -16.864 8.070 1.00 51.44 H new ATOM 0 HG2 PRO A 137 13.599 -19.865 8.136 1.00 21.41 H new ATOM 0 HG3 PRO A 137 13.762 -18.745 9.473 1.00 21.41 H new ATOM 0 HD2 PRO A 137 11.347 -19.795 8.779 1.00 60.42 H new ATOM 0 HD3 PRO A 137 11.484 -18.186 9.460 1.00 60.42 H new ATOM 2026 N THR A 138 12.879 -19.876 5.513 1.00 21.34 N ATOM 2027 CA THR A 138 13.149 -20.792 4.412 1.00 55.32 C ATOM 2028 C THR A 138 12.217 -20.525 3.235 1.00 42.11 C ATOM 2029 O THR A 138 12.629 -19.969 2.217 1.00 45.42 O ATOM 2030 CB THR A 138 12.995 -22.260 4.851 1.00 74.00 C ATOM 2031 OG1 THR A 138 11.850 -22.400 5.700 1.00 23.02 O ATOM 2032 CG2 THR A 138 14.238 -22.739 5.585 1.00 44.45 C ATOM 0 H THR A 138 12.760 -20.330 6.419 1.00 21.34 H new ATOM 0 HA THR A 138 14.180 -20.620 4.103 1.00 55.32 H new ATOM 0 HB THR A 138 12.862 -22.871 3.958 1.00 74.00 H new ATOM 0 HG1 THR A 138 11.758 -23.337 5.973 1.00 23.02 H new ATOM 0 HG21 THR A 138 14.105 -23.778 5.885 1.00 44.45 H new ATOM 0 HG22 THR A 138 15.103 -22.659 4.927 1.00 44.45 H new ATOM 0 HG23 THR A 138 14.398 -22.123 6.470 1.00 44.45 H new ATOM 2040 N LYS A 139 10.958 -20.924 3.380 1.00 23.24 N ATOM 2041 CA LYS A 139 9.966 -20.727 2.330 1.00 2.32 C ATOM 2042 C LYS A 139 8.559 -20.994 2.854 1.00 12.11 C ATOM 2043 O LYS A 139 7.606 -21.091 2.080 1.00 10.13 O ATOM 2044 CB LYS A 139 10.262 -21.644 1.142 1.00 61.14 C ATOM 2045 CG LYS A 139 10.316 -23.117 1.509 1.00 74.04 C ATOM 2046 CD LYS A 139 9.351 -23.937 0.668 1.00 50.51 C ATOM 2047 CE LYS A 139 8.998 -25.251 1.347 1.00 15.21 C ATOM 2048 NZ LYS A 139 7.676 -25.769 0.898 1.00 33.22 N ATOM 0 H LYS A 139 10.600 -21.386 4.216 1.00 23.24 H new ATOM 0 HA LYS A 139 10.022 -19.689 2.002 1.00 2.32 H new ATOM 0 HB2 LYS A 139 9.497 -21.496 0.380 1.00 61.14 H new ATOM 0 HB3 LYS A 139 11.214 -21.354 0.698 1.00 61.14 H new ATOM 0 HG2 LYS A 139 11.330 -23.491 1.369 1.00 74.04 H new ATOM 0 HG3 LYS A 139 10.074 -23.239 2.565 1.00 74.04 H new ATOM 0 HD2 LYS A 139 8.442 -23.362 0.491 1.00 50.51 H new ATOM 0 HD3 LYS A 139 9.796 -24.138 -0.306 1.00 50.51 H new ATOM 0 HE2 LYS A 139 9.770 -25.990 1.132 1.00 15.21 H new ATOM 0 HE3 LYS A 139 8.985 -25.109 2.428 1.00 15.21 H new ATOM 0 HZ1 LYS A 139 7.471 -26.666 1.383 1.00 33.22 H new ATOM 0 HZ2 LYS A 139 6.936 -25.075 1.126 1.00 33.22 H new ATOM 0 HZ3 LYS A 139 7.696 -25.928 -0.130 1.00 33.22 H new TER 2062 LYS A 139