USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 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 Set 1.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 23 ASN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= 0.279 (180deg=0.00286) USER MOD Single : A 25 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 156:sc= 1.22 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc=-6.27e-05 X(o=-6.3e-05,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.22 K(o=1.2,f=-0.013) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0901) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00374) 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+ -174:sc= 0 (180deg=-0.0189) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 34.804 13.403 -7.463 1.00 0.00 N ATOM 2 CA PHE A 17 34.148 12.262 -6.737 1.00 0.00 C ATOM 3 C PHE A 17 32.694 12.463 -6.309 1.00 0.00 C ATOM 4 O PHE A 17 32.340 13.384 -5.573 1.00 0.00 O ATOM 5 CB PHE A 17 35.083 11.905 -5.535 1.00 0.00 C ATOM 6 CG PHE A 17 34.560 10.851 -4.577 1.00 0.00 C ATOM 7 CD1 PHE A 17 33.932 9.673 -5.020 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.670 11.072 -3.192 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.344 8.788 -4.106 1.00 0.00 C ATOM 10 CE2 PHE A 17 34.132 10.164 -2.273 1.00 0.00 C ATOM 11 CZ PHE A 17 33.458 9.027 -2.731 1.00 0.00 C ATOM 0 HA PHE A 17 34.044 11.437 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.039 11.564 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.279 12.816 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 17 33.903 9.448 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.177 11.955 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 32.804 7.923 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.237 10.341 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.026 8.334 -2.024 1.00 0.00 H new ATOM 23 N ASP A 18 31.810 11.542 -6.766 1.00 0.00 N ATOM 24 CA ASP A 18 30.468 11.376 -6.254 1.00 0.00 C ATOM 25 C ASP A 18 30.358 9.951 -5.732 1.00 0.00 C ATOM 26 O ASP A 18 31.017 9.044 -6.241 1.00 0.00 O ATOM 27 CB ASP A 18 29.397 11.614 -7.349 1.00 0.00 C ATOM 28 CG ASP A 18 29.427 13.060 -7.828 1.00 0.00 C ATOM 29 OD1 ASP A 18 29.147 13.960 -6.995 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.699 13.270 -9.039 1.00 0.00 O ATOM 0 H ASP A 18 32.036 10.890 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 18 30.287 12.109 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 18 29.575 10.944 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.409 11.377 -6.955 1.00 0.00 H new ATOM 35 N VAL A 19 29.505 9.713 -4.712 1.00 0.00 N ATOM 36 CA VAL A 19 29.180 8.374 -4.253 1.00 0.00 C ATOM 37 C VAL A 19 27.680 8.211 -4.346 1.00 0.00 C ATOM 38 O VAL A 19 26.908 9.102 -3.991 1.00 0.00 O ATOM 39 CB VAL A 19 29.718 8.066 -2.848 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.182 9.046 -1.783 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.416 6.604 -2.447 1.00 0.00 C ATOM 0 H VAL A 19 29.031 10.453 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 19 29.677 7.644 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 19 30.799 8.199 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.593 8.784 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.480 10.062 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.094 8.985 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.808 6.412 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.338 6.441 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.889 5.927 -3.158 1.00 0.00 H new ATOM 51 N VAL A 20 27.241 7.060 -4.893 1.00 0.00 N ATOM 52 CA VAL A 20 25.849 6.686 -5.035 1.00 0.00 C ATOM 53 C VAL A 20 25.705 5.270 -4.534 1.00 0.00 C ATOM 54 O VAL A 20 26.678 4.512 -4.490 1.00 0.00 O ATOM 55 CB VAL A 20 25.310 6.794 -6.465 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.295 8.271 -6.908 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.203 5.982 -7.426 1.00 0.00 C ATOM 0 H VAL A 20 27.880 6.352 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 20 25.255 7.391 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 20 24.295 6.396 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 20 24.911 8.342 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.655 8.845 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.308 8.671 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.814 6.063 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.220 6.373 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.207 4.935 -7.122 1.00 0.00 H new ATOM 67 N SER A 21 24.480 4.869 -4.123 1.00 0.00 N ATOM 68 CA SER A 21 24.226 3.504 -3.712 1.00 0.00 C ATOM 69 C SER A 21 24.001 2.576 -4.896 1.00 0.00 C ATOM 70 O SER A 21 23.641 2.988 -5.996 1.00 0.00 O ATOM 71 CB SER A 21 23.045 3.394 -2.698 1.00 0.00 C ATOM 72 OG SER A 21 21.782 3.739 -3.267 1.00 0.00 O ATOM 0 H SER A 21 23.667 5.482 -4.074 1.00 0.00 H new ATOM 0 HA SER A 21 25.132 3.179 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.997 2.375 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.243 4.046 -1.847 1.00 0.00 H new ATOM 0 HG SER A 21 21.082 3.650 -2.587 1.00 0.00 H new ATOM 78 N CYS A 22 24.207 1.262 -4.672 1.00 0.00 N ATOM 79 CA CYS A 22 23.977 0.204 -5.643 1.00 0.00 C ATOM 80 C CYS A 22 22.631 -0.456 -5.391 1.00 0.00 C ATOM 81 O CYS A 22 22.316 -1.497 -5.962 1.00 0.00 O ATOM 82 CB CYS A 22 25.113 -0.852 -5.596 1.00 0.00 C ATOM 83 SG CYS A 22 26.713 -0.132 -6.076 1.00 0.00 S ATOM 0 H CYS A 22 24.549 0.910 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 22 23.971 0.650 -6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.186 -1.265 -4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.870 -1.679 -6.263 1.00 0.00 H new ATOM 88 N ASN A 23 21.817 0.168 -4.504 1.00 0.00 N ATOM 89 CA ASN A 23 20.460 -0.188 -4.101 1.00 0.00 C ATOM 90 C ASN A 23 20.349 -1.548 -3.410 1.00 0.00 C ATOM 91 O ASN A 23 19.270 -2.131 -3.325 1.00 0.00 O ATOM 92 CB ASN A 23 19.460 -0.141 -5.303 1.00 0.00 C ATOM 93 CG ASN A 23 19.263 1.236 -5.960 1.00 0.00 C ATOM 94 OD1 ASN A 23 18.723 1.294 -7.067 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.681 2.354 -5.314 1.00 0.00 N ATOM 0 H ASN A 23 22.135 1.006 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 23 20.191 0.573 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.805 -0.840 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.490 -0.499 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.551 3.270 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.125 2.278 -4.399 1.00 0.00 H new ATOM 102 N LYS A 24 21.467 -2.054 -2.851 1.00 0.00 N ATOM 103 CA LYS A 24 21.546 -3.318 -2.145 1.00 0.00 C ATOM 104 C LYS A 24 21.967 -3.126 -0.707 1.00 0.00 C ATOM 105 O LYS A 24 22.789 -2.268 -0.391 1.00 0.00 O ATOM 106 CB LYS A 24 22.526 -4.296 -2.843 1.00 0.00 C ATOM 107 CG LYS A 24 21.983 -4.856 -4.171 1.00 0.00 C ATOM 108 CD LYS A 24 20.904 -5.938 -3.964 1.00 0.00 C ATOM 109 CE LYS A 24 21.484 -7.275 -3.488 1.00 0.00 C ATOM 110 NZ LYS A 24 20.398 -8.241 -3.241 1.00 0.00 N ATOM 0 H LYS A 24 22.362 -1.566 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 24 20.545 -3.748 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.469 -3.782 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.744 -5.124 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.565 -4.040 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.807 -5.276 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.176 -5.583 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.368 -6.093 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.169 -7.670 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.062 -7.125 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.634 -8.824 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.511 -7.728 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.282 -8.854 -4.073 1.00 0.00 H new ATOM 124 N ASN A 25 21.379 -3.948 0.190 1.00 0.00 N ATOM 125 CA ASN A 25 21.628 -3.999 1.616 1.00 0.00 C ATOM 126 C ASN A 25 22.628 -5.109 1.932 1.00 0.00 C ATOM 127 O ASN A 25 22.431 -6.256 1.535 1.00 0.00 O ATOM 128 CB ASN A 25 20.274 -4.227 2.361 1.00 0.00 C ATOM 129 CG ASN A 25 20.390 -4.270 3.891 1.00 0.00 C ATOM 130 OD1 ASN A 25 20.174 -3.286 4.599 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.758 -5.480 4.391 1.00 0.00 N ATOM 0 H ASN A 25 20.677 -4.629 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 25 22.060 -3.057 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 25 19.583 -3.431 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.837 -5.164 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.867 -5.604 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.925 -6.263 3.759 1.00 0.00 H new ATOM 138 N CYS A 26 23.692 -4.804 2.712 1.00 0.00 N ATOM 139 CA CYS A 26 24.605 -5.801 3.240 1.00 0.00 C ATOM 140 C CYS A 26 24.268 -6.016 4.713 1.00 0.00 C ATOM 141 O CYS A 26 23.712 -5.128 5.355 1.00 0.00 O ATOM 142 CB CYS A 26 26.107 -5.387 3.111 1.00 0.00 C ATOM 143 SG CYS A 26 26.766 -4.129 4.270 1.00 0.00 S ATOM 0 H CYS A 26 23.927 -3.850 2.984 1.00 0.00 H new ATOM 0 HA CYS A 26 24.480 -6.713 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.710 -6.288 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.264 -5.019 2.097 1.00 0.00 H new ATOM 148 N THR A 27 24.599 -7.189 5.301 1.00 0.00 N ATOM 149 CA THR A 27 24.256 -7.486 6.693 1.00 0.00 C ATOM 150 C THR A 27 25.527 -7.977 7.343 1.00 0.00 C ATOM 151 O THR A 27 26.340 -8.620 6.684 1.00 0.00 O ATOM 152 CB THR A 27 23.163 -8.536 6.854 1.00 0.00 C ATOM 153 OG1 THR A 27 21.989 -8.148 6.152 1.00 0.00 O ATOM 154 CG2 THR A 27 22.731 -8.690 8.325 1.00 0.00 C ATOM 0 H THR A 27 25.102 -7.938 4.826 1.00 0.00 H new ATOM 0 HA THR A 27 23.856 -6.583 7.154 1.00 0.00 H new ATOM 0 HB THR A 27 23.583 -9.466 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.298 -8.834 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.951 -9.448 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.588 -8.993 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.348 -7.738 8.693 1.00 0.00 H new ATOM 162 N SER A 28 25.795 -7.692 8.641 1.00 0.00 N ATOM 163 CA SER A 28 27.003 -8.211 9.273 1.00 0.00 C ATOM 164 C SER A 28 27.037 -9.741 9.275 1.00 0.00 C ATOM 165 O SER A 28 26.053 -10.419 9.565 1.00 0.00 O ATOM 166 CB SER A 28 27.187 -7.712 10.729 1.00 0.00 C ATOM 167 OG SER A 28 28.400 -8.221 11.285 1.00 0.00 O ATOM 0 H SER A 28 25.202 -7.122 9.244 1.00 0.00 H new ATOM 0 HA SER A 28 27.823 -7.826 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.202 -6.622 10.747 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.340 -8.029 11.338 1.00 0.00 H new ATOM 0 HG SER A 28 28.698 -7.635 12.012 1.00 0.00 H new ATOM 173 N GLY A 29 28.204 -10.295 8.877 1.00 0.00 N ATOM 174 CA GLY A 29 28.420 -11.713 8.655 1.00 0.00 C ATOM 175 C GLY A 29 28.235 -12.114 7.214 1.00 0.00 C ATOM 176 O GLY A 29 28.737 -13.156 6.804 1.00 0.00 O ATOM 0 H GLY A 29 29.039 -9.736 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.428 -11.976 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.730 -12.283 9.277 1.00 0.00 H new ATOM 180 N GLN A 30 27.542 -11.292 6.390 1.00 0.00 N ATOM 181 CA GLN A 30 27.421 -11.556 4.971 1.00 0.00 C ATOM 182 C GLN A 30 27.317 -10.258 4.174 1.00 0.00 C ATOM 183 O GLN A 30 26.279 -9.598 4.067 1.00 0.00 O ATOM 184 CB GLN A 30 26.233 -12.533 4.696 1.00 0.00 C ATOM 185 CG GLN A 30 24.843 -12.078 5.208 1.00 0.00 C ATOM 186 CD GLN A 30 23.796 -13.188 5.068 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.353 -13.768 6.063 1.00 0.00 O ATOM 188 NE2 GLN A 30 23.378 -13.491 3.812 1.00 0.00 N ATOM 0 H GLN A 30 27.065 -10.446 6.702 1.00 0.00 H new ATOM 0 HA GLN A 30 28.329 -12.052 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 26.166 -12.697 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.468 -13.495 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.920 -11.780 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.519 -11.200 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 30 23.765 -12.992 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.677 -14.218 3.669 1.00 0.00 H new ATOM 197 N ASN A 31 28.443 -9.858 3.539 1.00 0.00 N ATOM 198 CA ASN A 31 28.537 -8.600 2.821 1.00 0.00 C ATOM 199 C ASN A 31 27.921 -8.722 1.428 1.00 0.00 C ATOM 200 O ASN A 31 28.602 -8.949 0.429 1.00 0.00 O ATOM 201 CB ASN A 31 30.013 -8.138 2.703 1.00 0.00 C ATOM 202 CG ASN A 31 30.610 -7.898 4.090 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.407 -8.708 4.568 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.232 -6.775 4.756 1.00 0.00 N ATOM 0 H ASN A 31 29.301 -10.409 3.520 1.00 0.00 H new ATOM 0 HA ASN A 31 27.981 -7.854 3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.596 -8.893 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.068 -7.223 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.610 -6.580 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.570 -6.127 4.329 1.00 0.00 H new ATOM 211 N GLU A 32 26.577 -8.586 1.354 1.00 0.00 N ATOM 212 CA GLU A 32 25.782 -8.919 0.189 1.00 0.00 C ATOM 213 C GLU A 32 25.771 -7.799 -0.855 1.00 0.00 C ATOM 214 O GLU A 32 24.787 -7.078 -1.007 1.00 0.00 O ATOM 215 CB GLU A 32 24.322 -9.245 0.625 1.00 0.00 C ATOM 216 CG GLU A 32 23.506 -9.972 -0.476 1.00 0.00 C ATOM 217 CD GLU A 32 22.101 -10.365 -0.021 1.00 0.00 C ATOM 218 OE1 GLU A 32 21.128 -9.999 -0.732 1.00 0.00 O ATOM 219 OE2 GLU A 32 21.998 -11.071 1.017 1.00 0.00 O ATOM 0 H GLU A 32 26.019 -8.232 2.131 1.00 0.00 H new ATOM 0 HA GLU A 32 26.241 -9.791 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.347 -9.866 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 32 23.814 -8.319 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.431 -9.325 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.044 -10.867 -0.787 1.00 0.00 H new ATOM 226 N CYS A 33 26.872 -7.634 -1.621 1.00 0.00 N ATOM 227 CA CYS A 33 26.961 -6.634 -2.676 1.00 0.00 C ATOM 228 C CYS A 33 27.181 -7.293 -4.027 1.00 0.00 C ATOM 229 O CYS A 33 27.787 -8.364 -4.085 1.00 0.00 O ATOM 230 CB CYS A 33 28.120 -5.622 -2.472 1.00 0.00 C ATOM 231 SG CYS A 33 27.973 -4.645 -0.951 1.00 0.00 S ATOM 0 H CYS A 33 27.716 -8.196 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 33 26.012 -6.099 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 33 29.066 -6.164 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 33 28.155 -4.946 -3.326 1.00 0.00 H new ATOM 236 N PRO A 34 26.739 -6.706 -5.145 1.00 0.00 N ATOM 237 CA PRO A 34 27.199 -7.091 -6.473 1.00 0.00 C ATOM 238 C PRO A 34 28.634 -6.630 -6.698 1.00 0.00 C ATOM 239 O PRO A 34 29.117 -5.736 -6.000 1.00 0.00 O ATOM 240 CB PRO A 34 26.224 -6.368 -7.418 1.00 0.00 C ATOM 241 CG PRO A 34 25.817 -5.112 -6.645 1.00 0.00 C ATOM 242 CD PRO A 34 25.770 -5.605 -5.200 1.00 0.00 C ATOM 0 HA PRO A 34 27.207 -8.170 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.700 -6.116 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.360 -6.990 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.539 -4.306 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.851 -4.730 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 34 26.035 -4.810 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.770 -5.945 -4.931 1.00 0.00 H new ATOM 250 N GLU A 35 29.348 -7.242 -7.669 1.00 0.00 N ATOM 251 CA GLU A 35 30.726 -6.908 -7.982 1.00 0.00 C ATOM 252 C GLU A 35 30.879 -5.479 -8.496 1.00 0.00 C ATOM 253 O GLU A 35 30.107 -5.011 -9.331 1.00 0.00 O ATOM 254 CB GLU A 35 31.307 -7.922 -9.009 1.00 0.00 C ATOM 255 CG GLU A 35 32.795 -7.739 -9.421 1.00 0.00 C ATOM 256 CD GLU A 35 33.785 -7.891 -8.263 1.00 0.00 C ATOM 257 OE1 GLU A 35 33.838 -6.963 -7.412 1.00 0.00 O ATOM 258 OE2 GLU A 35 34.504 -8.923 -8.236 1.00 0.00 O ATOM 0 H GLU A 35 28.967 -7.986 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 35 31.292 -6.973 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.191 -8.925 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.698 -7.876 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.040 -8.468 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.920 -6.751 -9.865 1.00 0.00 H new ATOM 265 N GLY A 36 31.896 -4.747 -7.979 1.00 0.00 N ATOM 266 CA GLY A 36 32.122 -3.340 -8.288 1.00 0.00 C ATOM 267 C GLY A 36 31.587 -2.400 -7.239 1.00 0.00 C ATOM 268 O GLY A 36 31.888 -1.210 -7.268 1.00 0.00 O ATOM 0 H GLY A 36 32.582 -5.134 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 36 33.192 -3.169 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.655 -3.107 -9.245 1.00 0.00 H new ATOM 272 N CYS A 37 30.793 -2.911 -6.277 1.00 0.00 N ATOM 273 CA CYS A 37 30.238 -2.125 -5.190 1.00 0.00 C ATOM 274 C CYS A 37 30.866 -2.581 -3.882 1.00 0.00 C ATOM 275 O CYS A 37 31.314 -3.720 -3.757 1.00 0.00 O ATOM 276 CB CYS A 37 28.694 -2.270 -5.099 1.00 0.00 C ATOM 277 SG CYS A 37 27.856 -1.720 -6.622 1.00 0.00 S ATOM 0 H CYS A 37 30.524 -3.894 -6.245 1.00 0.00 H new ATOM 0 HA CYS A 37 30.461 -1.075 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.440 -3.312 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 37 28.326 -1.688 -4.254 1.00 0.00 H new ATOM 282 N PHE A 38 30.916 -1.697 -2.859 1.00 0.00 N ATOM 283 CA PHE A 38 31.437 -2.038 -1.541 1.00 0.00 C ATOM 284 C PHE A 38 30.358 -1.590 -0.573 1.00 0.00 C ATOM 285 O PHE A 38 29.533 -0.763 -0.940 1.00 0.00 O ATOM 286 CB PHE A 38 32.794 -1.326 -1.193 1.00 0.00 C ATOM 287 CG PHE A 38 32.682 0.163 -0.916 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.530 1.114 -1.938 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.664 0.599 0.424 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.321 2.463 -1.623 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.467 1.948 0.741 1.00 0.00 C ATOM 292 CZ PHE A 38 32.298 2.883 -0.287 1.00 0.00 C ATOM 0 H PHE A 38 30.594 -0.732 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 38 31.660 -3.104 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 38 33.229 -1.812 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 38 33.489 -1.476 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.574 0.804 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.804 -0.119 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.177 3.183 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.445 2.266 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.150 3.926 -0.050 1.00 0.00 H new ATOM 302 N CYS A 39 30.310 -2.088 0.680 1.00 0.00 N ATOM 303 CA CYS A 39 29.301 -1.627 1.623 1.00 0.00 C ATOM 304 C CYS A 39 29.973 -0.894 2.753 1.00 0.00 C ATOM 305 O CYS A 39 30.907 -1.395 3.378 1.00 0.00 O ATOM 306 CB CYS A 39 28.454 -2.810 2.150 1.00 0.00 C ATOM 307 SG CYS A 39 27.083 -2.408 3.263 1.00 0.00 S ATOM 0 H CYS A 39 30.949 -2.794 1.046 1.00 0.00 H new ATOM 0 HA CYS A 39 28.621 -0.944 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.048 -3.345 1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.120 -3.499 2.669 1.00 0.00 H new ATOM 312 N GLY A 40 29.493 0.338 3.048 1.00 0.00 N ATOM 313 CA GLY A 40 30.030 1.179 4.108 1.00 0.00 C ATOM 314 C GLY A 40 29.434 0.818 5.437 1.00 0.00 C ATOM 315 O GLY A 40 28.762 1.623 6.074 1.00 0.00 O ATOM 0 H GLY A 40 28.716 0.766 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.114 1.069 4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.824 2.226 3.886 1.00 0.00 H new ATOM 319 N LEU A 41 29.666 -0.436 5.870 1.00 0.00 N ATOM 320 CA LEU A 41 29.093 -1.000 7.071 1.00 0.00 C ATOM 321 C LEU A 41 29.915 -0.555 8.273 1.00 0.00 C ATOM 322 O LEU A 41 31.146 -0.511 8.241 1.00 0.00 O ATOM 323 CB LEU A 41 29.023 -2.547 6.972 1.00 0.00 C ATOM 324 CG LEU A 41 27.823 -3.227 7.684 1.00 0.00 C ATOM 325 CD1 LEU A 41 27.942 -4.755 7.606 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.565 -2.823 9.143 1.00 0.00 C ATOM 0 H LEU A 41 30.273 -1.086 5.371 1.00 0.00 H new ATOM 0 HA LEU A 41 28.071 -0.640 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 41 28.996 -2.822 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.944 -2.958 7.385 1.00 0.00 H new ATOM 0 HG LEU A 41 26.962 -2.855 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.091 -5.212 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 41 27.954 -5.066 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.865 -5.073 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.701 -3.368 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 41 28.440 -3.062 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.370 -1.752 9.195 1.00 0.00 H new ATOM 338 N LEU A 42 29.232 -0.184 9.374 1.00 0.00 N ATOM 339 CA LEU A 42 29.768 0.573 10.482 1.00 0.00 C ATOM 340 C LEU A 42 30.530 -0.372 11.409 1.00 0.00 C ATOM 341 O LEU A 42 30.062 -0.719 12.492 1.00 0.00 O ATOM 342 CB LEU A 42 28.627 1.222 11.317 1.00 0.00 C ATOM 343 CG LEU A 42 27.608 2.114 10.561 1.00 0.00 C ATOM 344 CD1 LEU A 42 28.218 3.044 9.502 1.00 0.00 C ATOM 345 CD2 LEU A 42 26.451 1.275 9.973 1.00 0.00 C ATOM 0 H LEU A 42 28.249 -0.423 9.504 1.00 0.00 H new ATOM 0 HA LEU A 42 30.417 1.350 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 42 28.074 0.423 11.810 1.00 0.00 H new ATOM 0 HB3 LEU A 42 29.085 1.824 12.102 1.00 0.00 H new ATOM 0 HG LEU A 42 27.209 2.784 11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 42 27.427 3.626 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.930 3.719 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.731 2.448 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 25.755 1.931 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 26.852 0.541 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 42 25.928 0.761 10.779 1.00 0.00 H new ATOM 357 N GLY A 43 31.721 -0.855 10.983 1.00 0.00 N ATOM 358 CA GLY A 43 32.572 -1.738 11.780 1.00 0.00 C ATOM 359 C GLY A 43 32.052 -3.150 11.883 1.00 0.00 C ATOM 360 O GLY A 43 32.412 -3.879 12.801 1.00 0.00 O ATOM 0 H GLY A 43 32.112 -0.634 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.570 -1.759 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.673 -1.323 12.783 1.00 0.00 H new ATOM 364 N GLN A 44 31.165 -3.539 10.939 1.00 0.00 N ATOM 365 CA GLN A 44 30.407 -4.784 10.896 1.00 0.00 C ATOM 366 C GLN A 44 29.554 -5.039 12.140 1.00 0.00 C ATOM 367 O GLN A 44 29.422 -6.166 12.608 1.00 0.00 O ATOM 368 CB GLN A 44 31.309 -6.021 10.607 1.00 0.00 C ATOM 369 CG GLN A 44 32.034 -5.957 9.242 1.00 0.00 C ATOM 370 CD GLN A 44 32.916 -7.188 8.997 1.00 0.00 C ATOM 371 OE1 GLN A 44 34.121 -7.067 8.772 1.00 0.00 O ATOM 372 NE2 GLN A 44 32.295 -8.397 9.020 1.00 0.00 N ATOM 0 H GLN A 44 30.955 -2.942 10.139 1.00 0.00 H new ATOM 0 HA GLN A 44 29.720 -4.648 10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 44 32.052 -6.111 11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.697 -6.922 10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.296 -5.876 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.648 -5.058 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 44 31.294 -8.453 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 44 32.830 -9.248 8.847 1.00 0.00 H new ATOM 381 N ASN A 45 28.910 -3.989 12.696 1.00 0.00 N ATOM 382 CA ASN A 45 27.973 -4.146 13.801 1.00 0.00 C ATOM 383 C ASN A 45 26.571 -4.598 13.401 1.00 0.00 C ATOM 384 O ASN A 45 25.997 -5.469 14.050 1.00 0.00 O ATOM 385 CB ASN A 45 27.858 -2.831 14.620 1.00 0.00 C ATOM 386 CG ASN A 45 29.113 -2.642 15.477 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.241 -3.273 16.528 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.058 -1.775 15.038 1.00 0.00 N ATOM 0 H ASN A 45 29.031 -3.025 12.387 1.00 0.00 H new ATOM 0 HA ASN A 45 28.399 -4.949 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.735 -1.982 13.947 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.974 -2.864 15.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.908 -1.628 15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.919 -1.269 14.163 1.00 0.00 H new ATOM 395 N LYS A 46 25.971 -4.005 12.342 1.00 0.00 N ATOM 396 CA LYS A 46 24.562 -4.209 12.025 1.00 0.00 C ATOM 397 C LYS A 46 24.359 -4.557 10.560 1.00 0.00 C ATOM 398 O LYS A 46 24.622 -5.676 10.122 1.00 0.00 O ATOM 399 CB LYS A 46 23.707 -2.963 12.391 1.00 0.00 C ATOM 400 CG LYS A 46 23.701 -2.647 13.894 1.00 0.00 C ATOM 401 CD LYS A 46 22.757 -1.489 14.258 1.00 0.00 C ATOM 402 CE LYS A 46 22.827 -1.076 15.730 1.00 0.00 C ATOM 403 NZ LYS A 46 22.448 -2.213 16.592 1.00 0.00 N ATOM 0 H LYS A 46 26.455 -3.380 11.697 1.00 0.00 H new ATOM 0 HA LYS A 46 24.228 -5.052 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.087 -2.098 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.682 -3.124 12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.404 -3.539 14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.713 -2.397 14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.998 -0.627 13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.733 -1.778 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.836 -0.743 15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.160 -0.233 15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.383 -1.893 17.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.527 -2.587 16.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.167 -2.960 16.517 1.00 0.00 H new ATOM 417 N LYS A 47 23.857 -3.590 9.763 1.00 0.00 N ATOM 418 CA LYS A 47 23.560 -3.749 8.362 1.00 0.00 C ATOM 419 C LYS A 47 23.859 -2.407 7.734 1.00 0.00 C ATOM 420 O LYS A 47 24.024 -1.411 8.442 1.00 0.00 O ATOM 421 CB LYS A 47 22.081 -4.156 8.068 1.00 0.00 C ATOM 422 CG LYS A 47 20.959 -3.111 8.273 1.00 0.00 C ATOM 423 CD LYS A 47 20.783 -2.563 9.699 1.00 0.00 C ATOM 424 CE LYS A 47 19.435 -1.880 9.952 1.00 0.00 C ATOM 425 NZ LYS A 47 19.283 -0.702 9.077 1.00 0.00 N ATOM 0 H LYS A 47 23.648 -2.653 10.109 1.00 0.00 H new ATOM 0 HA LYS A 47 24.159 -4.563 7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.032 -4.492 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.846 -5.017 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.150 -2.270 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.015 -3.558 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.900 -3.383 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 47 21.582 -1.850 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.623 -2.584 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.364 -1.577 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.380 -0.230 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.067 -0.040 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.296 -1.005 8.082 1.00 0.00 H new ATOM 439 N GLY A 48 23.975 -2.347 6.395 1.00 0.00 N ATOM 440 CA GLY A 48 24.228 -1.094 5.708 1.00 0.00 C ATOM 441 C GLY A 48 23.967 -1.298 4.252 1.00 0.00 C ATOM 442 O GLY A 48 23.622 -2.396 3.834 1.00 0.00 O ATOM 0 H GLY A 48 23.896 -3.157 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.585 -0.308 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.258 -0.774 5.868 1.00 0.00 H new ATOM 446 N HIS A 49 24.134 -0.254 3.422 1.00 0.00 N ATOM 447 CA HIS A 49 23.975 -0.347 1.980 1.00 0.00 C ATOM 448 C HIS A 49 25.257 -0.327 1.176 1.00 0.00 C ATOM 449 O HIS A 49 26.281 0.230 1.569 1.00 0.00 O ATOM 450 CB HIS A 49 22.995 0.724 1.439 1.00 0.00 C ATOM 451 CG HIS A 49 21.546 0.334 1.525 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.904 -0.005 2.703 1.00 0.00 N ATOM 453 CD2 HIS A 49 20.709 0.177 0.464 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.693 -0.375 2.324 1.00 0.00 C ATOM 455 NE2 HIS A 49 19.520 -0.281 0.981 1.00 0.00 N ATOM 0 H HIS A 49 24.385 0.680 3.746 1.00 0.00 H new ATOM 0 HA HIS A 49 23.555 -1.343 1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 49 23.144 1.650 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.242 0.933 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 49 20.933 0.373 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 49 18.927 -0.714 3.006 1.00 0.00 H new ATOM 0 HE2 HIS A 49 18.674 -0.506 0.458 1.00 0.00 H new ATOM 463 N CYS A 50 25.202 -0.997 0.002 1.00 0.00 N ATOM 464 CA CYS A 50 26.293 -1.121 -0.945 1.00 0.00 C ATOM 465 C CYS A 50 26.374 0.125 -1.813 1.00 0.00 C ATOM 466 O CYS A 50 25.355 0.614 -2.304 1.00 0.00 O ATOM 467 CB CYS A 50 26.121 -2.357 -1.866 1.00 0.00 C ATOM 468 SG CYS A 50 26.069 -3.926 -0.944 1.00 0.00 S ATOM 0 H CYS A 50 24.357 -1.478 -0.307 1.00 0.00 H new ATOM 0 HA CYS A 50 27.209 -1.243 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 50 25.202 -2.249 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.943 -2.388 -2.581 1.00 0.00 H new ATOM 473 N TYR A 51 27.592 0.674 -2.014 1.00 0.00 N ATOM 474 CA TYR A 51 27.822 1.941 -2.682 1.00 0.00 C ATOM 475 C TYR A 51 28.848 1.695 -3.778 1.00 0.00 C ATOM 476 O TYR A 51 29.620 0.737 -3.710 1.00 0.00 O ATOM 477 CB TYR A 51 28.459 3.061 -1.801 1.00 0.00 C ATOM 478 CG TYR A 51 27.796 3.359 -0.480 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.623 3.820 0.561 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.442 3.108 -0.199 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.127 3.986 1.860 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.956 3.230 1.109 1.00 0.00 C ATOM 483 CZ TYR A 51 26.793 3.668 2.140 1.00 0.00 C ATOM 484 OH TYR A 51 26.292 3.748 3.456 1.00 0.00 O ATOM 0 H TYR A 51 28.453 0.225 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 51 26.838 2.279 -3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.496 2.788 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.477 3.981 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.658 4.050 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.773 2.819 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.771 4.358 2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.926 2.984 1.323 1.00 0.00 H new ATOM 0 HH TYR A 51 25.346 3.492 3.462 1.00 0.00 H new ATOM 494 N LYS A 52 28.910 2.581 -4.798 1.00 0.00 N ATOM 495 CA LYS A 52 30.010 2.583 -5.750 1.00 0.00 C ATOM 496 C LYS A 52 30.672 3.944 -5.833 1.00 0.00 C ATOM 497 O LYS A 52 30.078 4.979 -5.524 1.00 0.00 O ATOM 498 CB LYS A 52 29.583 2.119 -7.169 1.00 0.00 C ATOM 499 CG LYS A 52 28.504 2.973 -7.855 1.00 0.00 C ATOM 500 CD LYS A 52 28.195 2.466 -9.276 1.00 0.00 C ATOM 501 CE LYS A 52 26.952 3.087 -9.915 1.00 0.00 C ATOM 502 NZ LYS A 52 25.736 2.533 -9.290 1.00 0.00 N ATOM 0 H LYS A 52 28.205 3.297 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 52 30.730 1.859 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 52 30.467 2.103 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 52 29.220 1.094 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.593 2.958 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 52 28.836 4.010 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.055 2.667 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.069 1.384 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.973 4.170 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.944 2.886 -10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.896 2.881 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.763 1.494 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.690 2.832 -8.295 1.00 0.00 H new ATOM 516 N ILE A 53 31.962 3.946 -6.240 1.00 0.00 N ATOM 517 CA ILE A 53 32.824 5.114 -6.299 1.00 0.00 C ATOM 518 C ILE A 53 32.935 5.531 -7.752 1.00 0.00 C ATOM 519 O ILE A 53 33.385 4.752 -8.592 1.00 0.00 O ATOM 520 CB ILE A 53 34.221 4.823 -5.734 1.00 0.00 C ATOM 521 CG1 ILE A 53 34.187 4.370 -4.249 1.00 0.00 C ATOM 522 CG2 ILE A 53 35.176 6.026 -5.925 1.00 0.00 C ATOM 523 CD1 ILE A 53 33.649 5.411 -3.261 1.00 0.00 C ATOM 0 H ILE A 53 32.434 3.095 -6.544 1.00 0.00 H new ATOM 0 HA ILE A 53 32.392 5.909 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 53 34.612 3.985 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.575 3.471 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 53 35.197 4.094 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 53 36.155 5.782 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.275 6.247 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.772 6.897 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.666 4.998 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.272 6.304 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 53 32.625 5.672 -3.529 1.00 0.00 H new ATOM 535 N ILE A 54 32.537 6.780 -8.087 1.00 0.00 N ATOM 536 CA ILE A 54 32.678 7.324 -9.426 1.00 0.00 C ATOM 537 C ILE A 54 33.353 8.681 -9.378 1.00 0.00 C ATOM 538 O ILE A 54 33.193 9.454 -8.434 1.00 0.00 O ATOM 539 CB ILE A 54 31.371 7.420 -10.228 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.259 8.281 -9.564 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.895 5.997 -10.597 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.396 7.563 -8.514 1.00 0.00 C ATOM 0 H ILE A 54 32.110 7.427 -7.424 1.00 0.00 H new ATOM 0 HA ILE A 54 33.299 6.604 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 54 31.593 7.973 -11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.727 9.145 -9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.603 8.661 -10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 29.968 6.060 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.658 5.503 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.724 5.423 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.654 8.256 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.890 6.716 -8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.031 7.207 -7.703 1.00 0.00 H new ATOM 554 N GLY A 55 34.152 9.005 -10.423 1.00 0.00 N ATOM 555 CA GLY A 55 34.873 10.271 -10.524 1.00 0.00 C ATOM 556 C GLY A 55 36.291 10.208 -10.017 1.00 0.00 C ATOM 557 O GLY A 55 37.055 11.151 -10.185 1.00 0.00 O ATOM 0 H GLY A 55 34.307 8.384 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.884 10.590 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.331 11.033 -9.964 1.00 0.00 H new