USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 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 Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.36 X(o=0.36,f=-0.059) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 157:sc= 0.918 USER MOD Single : A 30 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.169 K(o=0.17,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.026) USER MOD Single : A 45 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0772) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.834 11.887 -7.100 1.00 0.00 N ATOM 2 CA PHE A 17 34.932 11.021 -6.272 1.00 0.00 C ATOM 3 C PHE A 17 33.524 11.574 -6.058 1.00 0.00 C ATOM 4 O PHE A 17 33.303 12.559 -5.355 1.00 0.00 O ATOM 5 CB PHE A 17 35.654 10.752 -4.913 1.00 0.00 C ATOM 6 CG PHE A 17 34.912 9.856 -3.934 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.057 8.811 -4.338 1.00 0.00 C ATOM 8 CD2 PHE A 17 35.096 10.071 -2.556 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.371 8.040 -3.390 1.00 0.00 C ATOM 10 CE2 PHE A 17 34.427 9.288 -1.606 1.00 0.00 C ATOM 11 CZ PHE A 17 33.558 8.274 -2.025 1.00 0.00 C ATOM 0 HA PHE A 17 34.761 10.097 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.625 10.304 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.843 11.710 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 17 33.929 8.602 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.764 10.852 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 17 32.696 7.263 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.582 9.467 -0.552 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.034 7.674 -1.296 1.00 0.00 H new ATOM 23 N ASP A 18 32.518 10.891 -6.650 1.00 0.00 N ATOM 24 CA ASP A 18 31.129 11.013 -6.272 1.00 0.00 C ATOM 25 C ASP A 18 30.697 9.643 -5.777 1.00 0.00 C ATOM 26 O ASP A 18 31.273 8.623 -6.159 1.00 0.00 O ATOM 27 CB ASP A 18 30.236 11.466 -7.455 1.00 0.00 C ATOM 28 CG ASP A 18 30.616 12.873 -7.901 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.454 13.812 -7.079 1.00 0.00 O ATOM 30 OD2 ASP A 18 31.039 13.020 -9.077 1.00 0.00 O ATOM 0 H ASP A 18 32.672 10.234 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 18 31.018 11.777 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.346 10.772 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.188 11.443 -7.157 1.00 0.00 H new ATOM 35 N VAL A 19 29.674 9.588 -4.902 1.00 0.00 N ATOM 36 CA VAL A 19 29.156 8.334 -4.395 1.00 0.00 C ATOM 37 C VAL A 19 27.665 8.313 -4.666 1.00 0.00 C ATOM 38 O VAL A 19 26.965 9.306 -4.465 1.00 0.00 O ATOM 39 CB VAL A 19 29.504 8.134 -2.914 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.919 9.239 -2.007 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.098 6.725 -2.444 1.00 0.00 C ATOM 0 H VAL A 19 29.197 10.413 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 19 29.623 7.491 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 19 30.587 8.220 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.198 9.045 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.313 10.208 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.833 9.245 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.354 6.605 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.024 6.594 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.629 5.978 -3.034 1.00 0.00 H new ATOM 51 N VAL A 20 27.149 7.177 -5.186 1.00 0.00 N ATOM 52 CA VAL A 20 25.732 6.976 -5.458 1.00 0.00 C ATOM 53 C VAL A 20 25.339 5.633 -4.887 1.00 0.00 C ATOM 54 O VAL A 20 26.185 4.769 -4.669 1.00 0.00 O ATOM 55 CB VAL A 20 25.347 7.048 -6.941 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.619 8.465 -7.484 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.133 6.006 -7.763 1.00 0.00 C ATOM 0 H VAL A 20 27.724 6.370 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 20 25.193 7.798 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 20 24.284 6.825 -7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.344 8.510 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.028 9.189 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.678 8.699 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.843 6.076 -8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.202 6.199 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.910 5.006 -7.391 1.00 0.00 H new ATOM 67 N SER A 21 24.040 5.413 -4.599 1.00 0.00 N ATOM 68 CA SER A 21 23.552 4.162 -4.044 1.00 0.00 C ATOM 69 C SER A 21 23.372 3.053 -5.078 1.00 0.00 C ATOM 70 O SER A 21 23.179 3.306 -6.265 1.00 0.00 O ATOM 71 CB SER A 21 22.248 4.422 -3.247 1.00 0.00 C ATOM 72 OG SER A 21 21.230 4.970 -4.079 1.00 0.00 O ATOM 0 H SER A 21 23.309 6.108 -4.750 1.00 0.00 H new ATOM 0 HA SER A 21 24.323 3.788 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 21 21.897 3.489 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.454 5.105 -2.423 1.00 0.00 H new ATOM 0 HG SER A 21 20.420 5.121 -3.548 1.00 0.00 H new ATOM 78 N CYS A 22 23.468 1.772 -4.638 1.00 0.00 N ATOM 79 CA CYS A 22 23.506 0.617 -5.531 1.00 0.00 C ATOM 80 C CYS A 22 22.367 -0.357 -5.231 1.00 0.00 C ATOM 81 O CYS A 22 22.455 -1.548 -5.515 1.00 0.00 O ATOM 82 CB CYS A 22 24.906 -0.054 -5.392 1.00 0.00 C ATOM 83 SG CYS A 22 25.354 -1.328 -6.616 1.00 0.00 S ATOM 0 H CYS A 22 23.520 1.526 -3.650 1.00 0.00 H new ATOM 0 HA CYS A 22 23.360 0.936 -6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.661 0.731 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.967 -0.504 -4.401 1.00 0.00 H new ATOM 88 N ASN A 23 21.253 0.151 -4.643 1.00 0.00 N ATOM 89 CA ASN A 23 19.980 -0.526 -4.376 1.00 0.00 C ATOM 90 C ASN A 23 20.034 -1.934 -3.765 1.00 0.00 C ATOM 91 O ASN A 23 19.247 -2.814 -4.112 1.00 0.00 O ATOM 92 CB ASN A 23 19.041 -0.482 -5.633 1.00 0.00 C ATOM 93 CG ASN A 23 19.598 -1.128 -6.911 1.00 0.00 C ATOM 94 OD1 ASN A 23 19.955 -0.428 -7.861 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.632 -2.483 -6.951 1.00 0.00 N ATOM 0 H ASN A 23 21.231 1.119 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 23 19.557 0.066 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.103 -0.976 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.805 0.560 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.962 -2.960 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.327 -3.025 -6.142 1.00 0.00 H new ATOM 102 N LYS A 24 20.967 -2.165 -2.823 1.00 0.00 N ATOM 103 CA LYS A 24 21.222 -3.458 -2.223 1.00 0.00 C ATOM 104 C LYS A 24 21.700 -3.155 -0.819 1.00 0.00 C ATOM 105 O LYS A 24 22.411 -2.166 -0.639 1.00 0.00 O ATOM 106 CB LYS A 24 22.320 -4.205 -3.020 1.00 0.00 C ATOM 107 CG LYS A 24 22.675 -5.628 -2.556 1.00 0.00 C ATOM 108 CD LYS A 24 21.599 -6.672 -2.888 1.00 0.00 C ATOM 109 CE LYS A 24 22.161 -8.093 -2.877 1.00 0.00 C ATOM 110 NZ LYS A 24 21.135 -9.042 -3.349 1.00 0.00 N ATOM 0 H LYS A 24 21.572 -1.429 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 24 20.337 -4.095 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.005 -4.257 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.228 -3.603 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.615 -5.928 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.840 -5.619 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.786 -6.598 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.175 -6.457 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 24 23.043 -8.150 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.480 -8.360 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.524 -10.007 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.306 -8.996 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.851 -8.793 -4.318 1.00 0.00 H new ATOM 124 N ASN A 25 21.328 -3.939 0.222 1.00 0.00 N ATOM 125 CA ASN A 25 21.946 -3.783 1.529 1.00 0.00 C ATOM 126 C ASN A 25 22.885 -4.937 1.830 1.00 0.00 C ATOM 127 O ASN A 25 22.751 -6.029 1.282 1.00 0.00 O ATOM 128 CB ASN A 25 20.914 -3.646 2.693 1.00 0.00 C ATOM 129 CG ASN A 25 20.068 -4.905 2.938 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.226 -5.285 2.121 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.338 -5.580 4.091 1.00 0.00 N ATOM 0 H ASN A 25 20.616 -4.667 0.169 1.00 0.00 H new ATOM 0 HA ASN A 25 22.506 -2.849 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.449 -3.397 3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.248 -2.811 2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.834 -6.440 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.044 -5.226 4.736 1.00 0.00 H new ATOM 138 N CYS A 26 23.822 -4.722 2.778 1.00 0.00 N ATOM 139 CA CYS A 26 24.569 -5.798 3.394 1.00 0.00 C ATOM 140 C CYS A 26 24.052 -5.984 4.799 1.00 0.00 C ATOM 141 O CYS A 26 23.530 -5.064 5.428 1.00 0.00 O ATOM 142 CB CYS A 26 26.088 -5.559 3.575 1.00 0.00 C ATOM 143 SG CYS A 26 27.008 -5.259 2.055 1.00 0.00 S ATOM 0 H CYS A 26 24.069 -3.795 3.125 1.00 0.00 H new ATOM 0 HA CYS A 26 24.436 -6.641 2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.228 -4.706 4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.518 -6.427 4.075 1.00 0.00 H new ATOM 148 N THR A 27 24.253 -7.202 5.326 1.00 0.00 N ATOM 149 CA THR A 27 24.050 -7.552 6.718 1.00 0.00 C ATOM 150 C THR A 27 25.439 -7.960 7.165 1.00 0.00 C ATOM 151 O THR A 27 26.185 -8.551 6.376 1.00 0.00 O ATOM 152 CB THR A 27 23.083 -8.705 6.930 1.00 0.00 C ATOM 153 OG1 THR A 27 21.824 -8.420 6.334 1.00 0.00 O ATOM 154 CG2 THR A 27 22.794 -8.937 8.422 1.00 0.00 C ATOM 0 H THR A 27 24.573 -7.991 4.764 1.00 0.00 H new ATOM 0 HA THR A 27 23.607 -6.724 7.272 1.00 0.00 H new ATOM 0 HB THR A 27 23.556 -9.580 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.215 -9.174 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.099 -9.769 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.724 -9.169 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.354 -8.037 8.852 1.00 0.00 H new ATOM 162 N SER A 28 25.868 -7.623 8.407 1.00 0.00 N ATOM 163 CA SER A 28 27.183 -8.013 8.909 1.00 0.00 C ATOM 164 C SER A 28 27.336 -9.533 8.938 1.00 0.00 C ATOM 165 O SER A 28 26.460 -10.253 9.413 1.00 0.00 O ATOM 166 CB SER A 28 27.448 -7.475 10.342 1.00 0.00 C ATOM 167 OG SER A 28 28.742 -7.850 10.812 1.00 0.00 O ATOM 0 H SER A 28 25.312 -7.082 9.069 1.00 0.00 H new ATOM 0 HA SER A 28 27.907 -7.575 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.359 -6.389 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.688 -7.859 11.022 1.00 0.00 H new ATOM 0 HG SER A 28 29.026 -7.231 11.517 1.00 0.00 H new ATOM 173 N GLY A 29 28.457 -10.053 8.380 1.00 0.00 N ATOM 174 CA GLY A 29 28.694 -11.485 8.279 1.00 0.00 C ATOM 175 C GLY A 29 28.144 -12.071 6.997 1.00 0.00 C ATOM 176 O GLY A 29 28.327 -13.252 6.714 1.00 0.00 O ATOM 0 H GLY A 29 29.209 -9.482 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.765 -11.678 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.236 -11.987 9.131 1.00 0.00 H new ATOM 180 N GLN A 30 27.459 -11.245 6.176 1.00 0.00 N ATOM 181 CA GLN A 30 27.089 -11.582 4.812 1.00 0.00 C ATOM 182 C GLN A 30 27.846 -10.710 3.840 1.00 0.00 C ATOM 183 O GLN A 30 28.405 -11.225 2.876 1.00 0.00 O ATOM 184 CB GLN A 30 25.566 -11.407 4.575 1.00 0.00 C ATOM 185 CG GLN A 30 24.682 -12.451 5.300 1.00 0.00 C ATOM 186 CD GLN A 30 24.688 -13.822 4.607 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.758 -14.127 3.857 1.00 0.00 O ATOM 188 NE2 GLN A 30 25.720 -14.669 4.855 1.00 0.00 N ATOM 0 H GLN A 30 27.150 -10.315 6.460 1.00 0.00 H new ATOM 0 HA GLN A 30 27.345 -12.629 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.272 -10.410 4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.368 -11.462 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.032 -12.566 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 30 23.658 -12.080 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.474 -14.385 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.742 -15.589 4.415 1.00 0.00 H new ATOM 197 N ASN A 31 27.912 -9.373 4.089 1.00 0.00 N ATOM 198 CA ASN A 31 28.754 -8.436 3.348 1.00 0.00 C ATOM 199 C ASN A 31 28.572 -8.467 1.828 1.00 0.00 C ATOM 200 O ASN A 31 29.526 -8.437 1.054 1.00 0.00 O ATOM 201 CB ASN A 31 30.244 -8.623 3.757 1.00 0.00 C ATOM 202 CG ASN A 31 30.419 -8.223 5.225 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.271 -9.002 6.171 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.735 -6.915 5.421 1.00 0.00 N ATOM 0 H ASN A 31 27.367 -8.925 4.825 1.00 0.00 H new ATOM 0 HA ASN A 31 28.419 -7.438 3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.546 -9.660 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.887 -8.013 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.856 -6.556 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.851 -6.293 4.621 1.00 0.00 H new ATOM 211 N GLU A 32 27.298 -8.525 1.385 1.00 0.00 N ATOM 212 CA GLU A 32 26.910 -8.843 0.030 1.00 0.00 C ATOM 213 C GLU A 32 26.557 -7.593 -0.768 1.00 0.00 C ATOM 214 O GLU A 32 25.570 -6.925 -0.474 1.00 0.00 O ATOM 215 CB GLU A 32 25.677 -9.776 0.118 1.00 0.00 C ATOM 216 CG GLU A 32 25.123 -10.338 -1.215 1.00 0.00 C ATOM 217 CD GLU A 32 26.089 -11.292 -1.917 1.00 0.00 C ATOM 218 OE1 GLU A 32 26.400 -12.356 -1.325 1.00 0.00 O ATOM 219 OE2 GLU A 32 26.502 -10.969 -3.062 1.00 0.00 O ATOM 0 H GLU A 32 26.500 -8.343 1.994 1.00 0.00 H new ATOM 0 HA GLU A 32 27.742 -9.322 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.935 -10.619 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.875 -9.231 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.186 -10.859 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.893 -9.508 -1.883 1.00 0.00 H new ATOM 226 N CYS A 33 27.320 -7.280 -1.838 1.00 0.00 N ATOM 227 CA CYS A 33 26.943 -6.291 -2.835 1.00 0.00 C ATOM 228 C CYS A 33 27.219 -6.914 -4.188 1.00 0.00 C ATOM 229 O CYS A 33 28.051 -7.822 -4.245 1.00 0.00 O ATOM 230 CB CYS A 33 27.742 -4.959 -2.759 1.00 0.00 C ATOM 231 SG CYS A 33 27.528 -4.051 -1.203 1.00 0.00 S ATOM 0 H CYS A 33 28.222 -7.719 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 33 25.898 -6.034 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.801 -5.175 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.437 -4.318 -3.586 1.00 0.00 H new ATOM 236 N PRO A 34 26.603 -6.501 -5.297 1.00 0.00 N ATOM 237 CA PRO A 34 27.060 -6.875 -6.632 1.00 0.00 C ATOM 238 C PRO A 34 28.381 -6.189 -6.969 1.00 0.00 C ATOM 239 O PRO A 34 28.752 -5.203 -6.331 1.00 0.00 O ATOM 240 CB PRO A 34 25.917 -6.395 -7.544 1.00 0.00 C ATOM 241 CG PRO A 34 25.327 -5.194 -6.801 1.00 0.00 C ATOM 242 CD PRO A 34 25.420 -5.634 -5.342 1.00 0.00 C ATOM 0 HA PRO A 34 27.259 -7.941 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.286 -6.112 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.172 -7.176 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.894 -4.282 -6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.298 -4.996 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.529 -4.779 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.523 -6.169 -5.030 1.00 0.00 H new ATOM 250 N GLU A 35 29.131 -6.725 -7.959 1.00 0.00 N ATOM 251 CA GLU A 35 30.464 -6.264 -8.306 1.00 0.00 C ATOM 252 C GLU A 35 30.490 -4.817 -8.795 1.00 0.00 C ATOM 253 O GLU A 35 29.664 -4.392 -9.598 1.00 0.00 O ATOM 254 CB GLU A 35 31.096 -7.209 -9.370 1.00 0.00 C ATOM 255 CG GLU A 35 32.547 -6.893 -9.833 1.00 0.00 C ATOM 256 CD GLU A 35 33.592 -6.977 -8.717 1.00 0.00 C ATOM 257 OE1 GLU A 35 34.409 -7.932 -8.748 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.588 -6.072 -7.839 1.00 0.00 O ATOM 0 H GLU A 35 28.808 -7.500 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 35 31.056 -6.291 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.083 -8.223 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.453 -7.204 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 35 32.823 -7.587 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.570 -5.892 -10.263 1.00 0.00 H new ATOM 265 N GLY A 36 31.463 -4.024 -8.282 1.00 0.00 N ATOM 266 CA GLY A 36 31.569 -2.592 -8.532 1.00 0.00 C ATOM 267 C GLY A 36 31.005 -1.750 -7.417 1.00 0.00 C ATOM 268 O GLY A 36 31.242 -0.545 -7.373 1.00 0.00 O ATOM 0 H GLY A 36 32.201 -4.381 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.617 -2.332 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.048 -2.352 -9.459 1.00 0.00 H new ATOM 272 N CYS A 37 30.252 -2.362 -6.479 1.00 0.00 N ATOM 273 CA CYS A 37 29.648 -1.678 -5.352 1.00 0.00 C ATOM 274 C CYS A 37 30.226 -2.194 -4.043 1.00 0.00 C ATOM 275 O CYS A 37 30.712 -3.321 -3.963 1.00 0.00 O ATOM 276 CB CYS A 37 28.102 -1.839 -5.359 1.00 0.00 C ATOM 277 SG CYS A 37 27.359 -1.082 -6.842 1.00 0.00 S ATOM 0 H CYS A 37 30.053 -3.362 -6.498 1.00 0.00 H new ATOM 0 HA CYS A 37 29.878 -0.616 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.845 -2.898 -5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.683 -1.378 -4.465 1.00 0.00 H new ATOM 282 N PHE A 38 30.198 -1.365 -2.972 1.00 0.00 N ATOM 283 CA PHE A 38 30.690 -1.755 -1.656 1.00 0.00 C ATOM 284 C PHE A 38 29.616 -1.298 -0.688 1.00 0.00 C ATOM 285 O PHE A 38 28.818 -0.436 -1.043 1.00 0.00 O ATOM 286 CB PHE A 38 32.060 -1.094 -1.251 1.00 0.00 C ATOM 287 CG PHE A 38 31.999 0.371 -0.839 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.135 0.688 0.528 1.00 0.00 C ATOM 289 CD2 PHE A 38 31.635 1.394 -1.730 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.946 1.996 0.992 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.416 2.699 -1.263 1.00 0.00 C ATOM 292 CZ PHE A 38 31.593 3.005 0.090 1.00 0.00 C ATOM 0 H PHE A 38 29.833 -0.413 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 38 30.880 -2.828 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.486 -1.665 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.748 -1.186 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.390 -0.092 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 38 31.523 1.175 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.072 2.224 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.109 3.472 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.457 4.018 0.438 1.00 0.00 H new ATOM 302 N CYS A 39 29.559 -1.824 0.554 1.00 0.00 N ATOM 303 CA CYS A 39 28.655 -1.294 1.560 1.00 0.00 C ATOM 304 C CYS A 39 29.385 -0.683 2.723 1.00 0.00 C ATOM 305 O CYS A 39 30.450 -1.133 3.145 1.00 0.00 O ATOM 306 CB CYS A 39 27.645 -2.366 2.043 1.00 0.00 C ATOM 307 SG CYS A 39 28.410 -3.910 2.622 1.00 0.00 S ATOM 0 H CYS A 39 30.129 -2.609 0.869 1.00 0.00 H new ATOM 0 HA CYS A 39 28.094 -0.494 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.046 -1.946 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 39 26.961 -2.597 1.227 1.00 0.00 H new ATOM 312 N GLY A 40 28.795 0.401 3.274 1.00 0.00 N ATOM 313 CA GLY A 40 29.425 1.213 4.300 1.00 0.00 C ATOM 314 C GLY A 40 29.101 0.753 5.687 1.00 0.00 C ATOM 315 O GLY A 40 28.507 1.487 6.472 1.00 0.00 O ATOM 0 H GLY A 40 27.865 0.726 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.506 1.193 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.107 2.249 4.183 1.00 0.00 H new ATOM 319 N LEU A 41 29.514 -0.482 6.035 1.00 0.00 N ATOM 320 CA LEU A 41 29.503 -0.943 7.407 1.00 0.00 C ATOM 321 C LEU A 41 30.639 -0.349 8.211 1.00 0.00 C ATOM 322 O LEU A 41 31.797 -0.339 7.801 1.00 0.00 O ATOM 323 CB LEU A 41 29.543 -2.487 7.517 1.00 0.00 C ATOM 324 CG LEU A 41 28.212 -3.174 7.161 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.375 -4.694 7.029 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.174 -2.894 8.255 1.00 0.00 C ATOM 0 H LEU A 41 29.859 -1.171 5.367 1.00 0.00 H new ATOM 0 HA LEU A 41 28.557 -0.598 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 30.324 -2.868 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.821 -2.762 8.534 1.00 0.00 H new ATOM 0 HG LEU A 41 27.884 -2.770 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.414 -5.142 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.096 -4.916 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.731 -5.105 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.234 -3.382 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.536 -3.281 9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.014 -1.819 8.338 1.00 0.00 H new ATOM 338 N LEU A 42 30.275 0.185 9.396 1.00 0.00 N ATOM 339 CA LEU A 42 31.064 1.086 10.208 1.00 0.00 C ATOM 340 C LEU A 42 32.300 0.400 10.766 1.00 0.00 C ATOM 341 O LEU A 42 33.416 0.911 10.741 1.00 0.00 O ATOM 342 CB LEU A 42 30.189 1.598 11.381 1.00 0.00 C ATOM 343 CG LEU A 42 28.891 2.360 10.986 1.00 0.00 C ATOM 344 CD1 LEU A 42 29.062 3.335 9.807 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.693 1.417 10.724 1.00 0.00 C ATOM 0 H LEU A 42 29.371 -0.023 9.820 1.00 0.00 H new ATOM 0 HA LEU A 42 31.394 1.915 9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 29.911 0.745 11.999 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.798 2.256 12.001 1.00 0.00 H new ATOM 0 HG LEU A 42 28.670 2.962 11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 42 28.110 3.823 9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.808 4.088 10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.389 2.785 8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.818 2.007 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.938 0.736 9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.478 0.843 11.625 1.00 0.00 H new ATOM 357 N GLY A 43 32.066 -0.824 11.262 1.00 0.00 N ATOM 358 CA GLY A 43 33.054 -1.768 11.735 1.00 0.00 C ATOM 359 C GLY A 43 32.350 -3.082 11.893 1.00 0.00 C ATOM 360 O GLY A 43 32.418 -3.702 12.947 1.00 0.00 O ATOM 0 H GLY A 43 31.118 -1.191 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.879 -1.853 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.480 -1.440 12.683 1.00 0.00 H new ATOM 364 N GLN A 44 31.604 -3.497 10.836 1.00 0.00 N ATOM 365 CA GLN A 44 30.771 -4.697 10.749 1.00 0.00 C ATOM 366 C GLN A 44 29.873 -4.977 11.965 1.00 0.00 C ATOM 367 O GLN A 44 29.883 -6.057 12.552 1.00 0.00 O ATOM 368 CB GLN A 44 31.603 -5.959 10.322 1.00 0.00 C ATOM 369 CG GLN A 44 32.784 -6.427 11.223 1.00 0.00 C ATOM 370 CD GLN A 44 34.168 -5.800 10.966 1.00 0.00 C ATOM 371 OE1 GLN A 44 35.057 -5.899 11.814 1.00 0.00 O ATOM 372 NE2 GLN A 44 34.385 -5.178 9.779 1.00 0.00 N ATOM 0 H GLN A 44 31.576 -2.957 9.971 1.00 0.00 H new ATOM 0 HA GLN A 44 30.062 -4.469 9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.909 -6.794 10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 44 32.005 -5.767 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 44 32.514 -6.231 12.261 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.880 -7.508 11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.632 -5.109 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 44 35.301 -4.779 9.572 1.00 0.00 H new ATOM 381 N ASN A 45 29.031 -3.991 12.371 1.00 0.00 N ATOM 382 CA ASN A 45 28.225 -4.108 13.580 1.00 0.00 C ATOM 383 C ASN A 45 26.827 -4.645 13.280 1.00 0.00 C ATOM 384 O ASN A 45 26.363 -5.581 13.925 1.00 0.00 O ATOM 385 CB ASN A 45 28.019 -2.729 14.284 1.00 0.00 C ATOM 386 CG ASN A 45 29.257 -2.070 14.915 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.133 -0.945 15.408 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.449 -2.708 14.884 1.00 0.00 N ATOM 0 H ASN A 45 28.904 -3.113 11.868 1.00 0.00 H new ATOM 0 HA ASN A 45 28.778 -4.792 14.223 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.603 -2.036 13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 45 27.269 -2.857 15.065 1.00 0.00 H new ATOM 0 HD21 ASN A 45 31.278 -2.260 15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.519 -3.637 14.470 1.00 0.00 H new ATOM 395 N LYS A 46 26.119 -4.041 12.294 1.00 0.00 N ATOM 396 CA LYS A 46 24.716 -4.314 12.021 1.00 0.00 C ATOM 397 C LYS A 46 24.477 -4.576 10.541 1.00 0.00 C ATOM 398 O LYS A 46 24.742 -5.660 10.024 1.00 0.00 O ATOM 399 CB LYS A 46 23.804 -3.149 12.511 1.00 0.00 C ATOM 400 CG LYS A 46 23.764 -2.978 14.040 1.00 0.00 C ATOM 401 CD LYS A 46 22.857 -1.809 14.465 1.00 0.00 C ATOM 402 CE LYS A 46 22.600 -1.720 15.971 1.00 0.00 C ATOM 403 NZ LYS A 46 21.743 -2.841 16.404 1.00 0.00 N ATOM 0 H LYS A 46 26.525 -3.346 11.668 1.00 0.00 H new ATOM 0 HA LYS A 46 24.454 -5.215 12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.150 -2.218 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.790 -3.320 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.407 -3.900 14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.774 -2.807 14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.309 -0.875 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.900 -1.902 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.546 -1.745 16.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.120 -0.771 16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.448 -2.692 17.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.902 -2.890 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.275 -3.732 16.333 1.00 0.00 H new ATOM 417 N LYS A 47 23.927 -3.569 9.833 1.00 0.00 N ATOM 418 CA LYS A 47 23.543 -3.614 8.445 1.00 0.00 C ATOM 419 C LYS A 47 23.870 -2.257 7.855 1.00 0.00 C ATOM 420 O LYS A 47 23.918 -1.258 8.573 1.00 0.00 O ATOM 421 CB LYS A 47 22.038 -3.965 8.284 1.00 0.00 C ATOM 422 CG LYS A 47 21.059 -2.977 8.948 1.00 0.00 C ATOM 423 CD LYS A 47 19.587 -3.395 8.790 1.00 0.00 C ATOM 424 CE LYS A 47 18.634 -2.536 9.622 1.00 0.00 C ATOM 425 NZ LYS A 47 17.241 -2.937 9.350 1.00 0.00 N ATOM 0 H LYS A 47 23.737 -2.661 10.256 1.00 0.00 H new ATOM 0 HA LYS A 47 24.087 -4.398 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.806 -4.022 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.866 -4.957 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.296 -2.896 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.199 -1.987 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.306 -3.328 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.477 -4.439 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.856 -2.652 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.773 -1.482 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.594 -2.352 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.033 -2.804 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.112 -3.938 9.602 1.00 0.00 H new ATOM 439 N GLY A 48 24.154 -2.197 6.536 1.00 0.00 N ATOM 440 CA GLY A 48 24.519 -0.965 5.861 1.00 0.00 C ATOM 441 C GLY A 48 24.217 -1.125 4.403 1.00 0.00 C ATOM 442 O GLY A 48 24.105 -2.242 3.904 1.00 0.00 O ATOM 0 H GLY A 48 24.132 -3.011 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.961 -0.125 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.577 -0.749 6.009 1.00 0.00 H new ATOM 446 N HIS A 49 24.052 -0.005 3.675 1.00 0.00 N ATOM 447 CA HIS A 49 23.551 -0.023 2.313 1.00 0.00 C ATOM 448 C HIS A 49 24.708 -0.010 1.318 1.00 0.00 C ATOM 449 O HIS A 49 25.767 0.554 1.597 1.00 0.00 O ATOM 450 CB HIS A 49 22.604 1.180 2.083 1.00 0.00 C ATOM 451 CG HIS A 49 21.802 1.113 0.810 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.777 0.186 0.722 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.872 1.854 -0.328 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.248 0.383 -0.469 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.868 1.380 -1.147 1.00 0.00 N ATOM 0 H HIS A 49 24.265 0.929 4.025 1.00 0.00 H new ATOM 0 HA HIS A 49 22.985 -0.941 2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 49 21.917 1.251 2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.196 2.095 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.569 2.649 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.416 -0.184 -0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.637 1.715 -2.082 1.00 0.00 H new ATOM 463 N CYS A 50 24.553 -0.668 0.139 1.00 0.00 N ATOM 464 CA CYS A 50 25.584 -0.712 -0.888 1.00 0.00 C ATOM 465 C CYS A 50 25.610 0.563 -1.717 1.00 0.00 C ATOM 466 O CYS A 50 24.573 1.099 -2.120 1.00 0.00 O ATOM 467 CB CYS A 50 25.431 -1.903 -1.880 1.00 0.00 C ATOM 468 SG CYS A 50 25.557 -3.549 -1.107 1.00 0.00 S ATOM 0 H CYS A 50 23.705 -1.177 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 50 26.511 -0.834 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.465 -1.822 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.196 -1.818 -2.651 1.00 0.00 H new ATOM 473 N TYR A 51 26.827 1.066 -2.012 1.00 0.00 N ATOM 474 CA TYR A 51 27.044 2.285 -2.762 1.00 0.00 C ATOM 475 C TYR A 51 27.991 1.946 -3.904 1.00 0.00 C ATOM 476 O TYR A 51 28.796 1.020 -3.810 1.00 0.00 O ATOM 477 CB TYR A 51 27.763 3.419 -1.984 1.00 0.00 C ATOM 478 CG TYR A 51 27.147 3.813 -0.669 1.00 0.00 C ATOM 479 CD1 TYR A 51 25.772 3.771 -0.377 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.040 4.209 0.338 1.00 0.00 C ATOM 481 CE1 TYR A 51 25.319 4.031 0.926 1.00 0.00 C ATOM 482 CE2 TYR A 51 27.596 4.448 1.643 1.00 0.00 C ATOM 483 CZ TYR A 51 26.233 4.334 1.943 1.00 0.00 C ATOM 484 OH TYR A 51 25.777 4.491 3.269 1.00 0.00 O ATOM 0 H TYR A 51 27.694 0.614 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 51 26.053 2.639 -3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 51 28.793 3.111 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 51 27.803 4.302 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.063 3.538 -1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.087 4.331 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 51 24.262 3.997 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 51 28.301 4.719 2.415 1.00 0.00 H new ATOM 0 HH TYR A 51 26.536 4.698 3.854 1.00 0.00 H new ATOM 494 N LYS A 52 27.933 2.725 -5.000 1.00 0.00 N ATOM 495 CA LYS A 52 28.857 2.650 -6.113 1.00 0.00 C ATOM 496 C LYS A 52 29.806 3.837 -6.020 1.00 0.00 C ATOM 497 O LYS A 52 29.383 4.965 -5.756 1.00 0.00 O ATOM 498 CB LYS A 52 28.102 2.689 -7.463 1.00 0.00 C ATOM 499 CG LYS A 52 28.980 2.533 -8.718 1.00 0.00 C ATOM 500 CD LYS A 52 28.192 2.667 -10.037 1.00 0.00 C ATOM 501 CE LYS A 52 27.085 1.629 -10.231 1.00 0.00 C ATOM 502 NZ LYS A 52 26.432 1.851 -11.537 1.00 0.00 N ATOM 0 H LYS A 52 27.216 3.440 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 52 29.408 1.711 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.353 1.897 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.565 3.635 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.769 3.285 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.468 1.559 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.749 3.662 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.891 2.593 -10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.502 0.623 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.353 1.707 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.679 1.147 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.022 2.806 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.135 1.756 -12.297 1.00 0.00 H new ATOM 516 N ILE A 53 31.125 3.604 -6.230 1.00 0.00 N ATOM 517 CA ILE A 53 32.138 4.649 -6.244 1.00 0.00 C ATOM 518 C ILE A 53 32.485 4.977 -7.679 1.00 0.00 C ATOM 519 O ILE A 53 32.885 4.112 -8.456 1.00 0.00 O ATOM 520 CB ILE A 53 33.403 4.277 -5.459 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.056 4.070 -3.964 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.539 5.310 -5.655 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.210 3.564 -3.088 1.00 0.00 C ATOM 0 H ILE A 53 31.503 2.671 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 53 31.718 5.521 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 53 33.784 3.336 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.700 5.016 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.231 3.362 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.413 5.003 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.801 5.366 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.204 6.289 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.865 3.452 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.555 2.600 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.031 4.280 -3.119 1.00 0.00 H new ATOM 535 N ILE A 54 32.336 6.266 -8.056 1.00 0.00 N ATOM 536 CA ILE A 54 32.695 6.781 -9.361 1.00 0.00 C ATOM 537 C ILE A 54 33.586 7.995 -9.203 1.00 0.00 C ATOM 538 O ILE A 54 33.465 8.764 -8.251 1.00 0.00 O ATOM 539 CB ILE A 54 31.499 7.108 -10.272 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.491 8.144 -9.696 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.826 5.793 -10.721 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.467 7.613 -8.675 1.00 0.00 C ATOM 0 H ILE A 54 31.953 6.979 -7.435 1.00 0.00 H new ATOM 0 HA ILE A 54 33.229 5.976 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 54 31.897 7.626 -11.145 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.059 8.946 -9.224 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.944 8.587 -10.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 29.978 6.020 -11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.546 5.184 -11.268 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.479 5.245 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.822 8.429 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.861 6.835 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.992 7.199 -7.814 1.00 0.00 H new ATOM 554 N GLY A 55 34.539 8.189 -10.145 1.00 0.00 N ATOM 555 CA GLY A 55 35.415 9.357 -10.177 1.00 0.00 C ATOM 556 C GLY A 55 36.733 9.174 -9.473 1.00 0.00 C ATOM 557 O GLY A 55 37.637 9.987 -9.627 1.00 0.00 O ATOM 0 H GLY A 55 34.713 7.529 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.608 9.621 -11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.891 10.200 -9.726 1.00 0.00 H new