USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 72 ASN : amide:sc= -0.0847 K(o=-1.1,f=-0.45) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.995 K(o=-1.1,f=0.26) USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 0.307 USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0.512 USER MOD Set 3.1: A 28 HIS : no HE2:sc= -1.4 K(o=-0.81,f=-2.9!) USER MOD Set 3.2: A 53 TYR OH : rot 17:sc= 0.587 USER MOD Single : A 6 MET CE :methyl -168:sc=-0.00584 (180deg=-0.189) USER MOD Single : A 9 TYR OH : rot 11:sc= 0.0511 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 160:sc= -0.168 (180deg=-0.701) USER MOD Single : A 16 GLN : amide:sc= 1.01 K(o=1,f=-6.4!) USER MOD Single : A 17 ASN : amide:sc= -0.0315 X(o=-0.031,f=-0.092) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -89:sc= 0.257 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 1.16 K(o=1.2,f=-0.016) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.052) USER MOD Single : A 57 GLN : amide:sc= -3.46 K(o=-3.5,f=-2.1) USER MOD Single : A 61 THR OG1 : rot 140:sc= 0.837 USER MOD Single : A 62 THR OG1 : rot 114:sc= 0.42 USER MOD Single : A 63 ASN : amide:sc= -0.459 K(o=-0.46,f=-11!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -141:sc= -0.172 (180deg=-0.821) USER MOD Single : A 75 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-1.8!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.048) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 10.499 -7.570 -3.501 1.00 11.22 N ATOM 50 CA PRO A 5 9.293 -7.703 -4.343 1.00 41.13 C ATOM 51 C PRO A 5 8.900 -6.360 -4.991 1.00 62.34 C ATOM 52 O PRO A 5 8.682 -6.280 -6.199 1.00 61.21 O ATOM 53 CB PRO A 5 8.211 -8.176 -3.358 1.00 52.32 C ATOM 54 CG PRO A 5 8.689 -7.721 -2.017 1.00 21.44 C ATOM 55 CD PRO A 5 10.193 -7.781 -2.069 1.00 11.22 C ATOM 0 HA PRO A 5 9.442 -8.391 -5.175 1.00 41.13 H new ATOM 0 HB2 PRO A 5 7.240 -7.743 -3.599 1.00 52.32 H new ATOM 0 HB3 PRO A 5 8.094 -9.259 -3.389 1.00 52.32 H new ATOM 0 HG2 PRO A 5 8.346 -6.709 -1.804 1.00 21.44 H new ATOM 0 HG3 PRO A 5 8.300 -8.362 -1.226 1.00 21.44 H new ATOM 0 HD2 PRO A 5 10.647 -7.012 -1.444 1.00 11.22 H new ATOM 0 HD3 PRO A 5 10.569 -8.741 -1.716 1.00 11.22 H new ATOM 63 N MET A 6 8.793 -5.316 -4.160 1.00 22.14 N ATOM 64 CA MET A 6 8.559 -3.935 -4.621 1.00 44.42 C ATOM 65 C MET A 6 7.278 -3.769 -5.470 1.00 23.14 C ATOM 66 O MET A 6 7.039 -2.696 -6.022 1.00 74.14 O ATOM 67 CB MET A 6 9.781 -3.429 -5.407 1.00 40.54 C ATOM 68 CG MET A 6 11.086 -3.527 -4.625 1.00 62.40 C ATOM 69 SD MET A 6 11.026 -2.633 -3.058 1.00 24.33 S ATOM 70 CE MET A 6 10.927 -0.937 -3.629 1.00 63.53 C ATOM 0 H MET A 6 8.866 -5.402 -3.146 1.00 22.14 H new ATOM 0 HA MET A 6 8.410 -3.334 -3.724 1.00 44.42 H new ATOM 0 HB2 MET A 6 9.874 -4.003 -6.329 1.00 40.54 H new ATOM 0 HB3 MET A 6 9.615 -2.391 -5.694 1.00 40.54 H new ATOM 0 HG2 MET A 6 11.312 -4.576 -4.432 1.00 62.40 H new ATOM 0 HG3 MET A 6 11.900 -3.132 -5.233 1.00 62.40 H new ATOM 0 HE1 MET A 6 11.097 -0.261 -2.791 1.00 63.53 H new ATOM 0 HE2 MET A 6 11.685 -0.766 -4.394 1.00 63.53 H new ATOM 0 HE3 MET A 6 9.939 -0.752 -4.050 1.00 63.53 H new ATOM 80 N THR A 7 6.448 -4.812 -5.547 1.00 51.34 N ATOM 81 CA THR A 7 5.200 -4.761 -6.330 1.00 31.42 C ATOM 82 C THR A 7 4.297 -3.606 -5.874 1.00 5.41 C ATOM 83 O THR A 7 3.893 -2.758 -6.674 1.00 54.03 O ATOM 84 CB THR A 7 4.400 -6.084 -6.219 1.00 1.44 C ATOM 85 OG1 THR A 7 3.957 -6.287 -4.866 1.00 34.11 O ATOM 86 CG2 THR A 7 5.241 -7.281 -6.658 1.00 22.44 C ATOM 0 H THR A 7 6.613 -5.703 -5.079 1.00 51.34 H new ATOM 0 HA THR A 7 5.497 -4.604 -7.367 1.00 31.42 H new ATOM 0 HB THR A 7 3.537 -6.003 -6.880 1.00 1.44 H new ATOM 0 HG1 THR A 7 3.074 -6.713 -4.871 1.00 34.11 H new ATOM 0 HG21 THR A 7 4.651 -8.193 -6.568 1.00 22.44 H new ATOM 0 HG22 THR A 7 5.549 -7.149 -7.695 1.00 22.44 H new ATOM 0 HG23 THR A 7 6.125 -7.357 -6.024 1.00 22.44 H new ATOM 94 N PHE A 8 3.991 -3.586 -4.578 1.00 65.51 N ATOM 95 CA PHE A 8 3.170 -2.526 -3.981 1.00 4.40 C ATOM 96 C PHE A 8 3.712 -1.120 -4.302 1.00 4.21 C ATOM 97 O PHE A 8 2.950 -0.217 -4.653 1.00 44.21 O ATOM 98 CB PHE A 8 3.088 -2.725 -2.460 1.00 44.44 C ATOM 99 CG PHE A 8 2.348 -1.622 -1.746 1.00 32.01 C ATOM 100 CD1 PHE A 8 0.979 -1.468 -1.909 1.00 62.41 C ATOM 101 CD2 PHE A 8 3.023 -0.733 -0.921 1.00 64.54 C ATOM 102 CE1 PHE A 8 0.303 -0.453 -1.265 1.00 0.34 C ATOM 103 CE2 PHE A 8 2.348 0.283 -0.274 1.00 74.32 C ATOM 104 CZ PHE A 8 0.986 0.424 -0.448 1.00 24.21 C ATOM 0 H PHE A 8 4.300 -4.296 -3.914 1.00 65.51 H new ATOM 0 HA PHE A 8 2.173 -2.597 -4.417 1.00 4.40 H new ATOM 0 HB2 PHE A 8 2.596 -3.675 -2.252 1.00 44.44 H new ATOM 0 HB3 PHE A 8 4.098 -2.794 -2.056 1.00 44.44 H new ATOM 0 HD1 PHE A 8 0.437 -2.150 -2.547 1.00 62.41 H new ATOM 0 HD2 PHE A 8 4.089 -0.837 -0.783 1.00 64.54 H new ATOM 0 HE1 PHE A 8 -0.763 -0.345 -1.401 1.00 0.34 H new ATOM 0 HE2 PHE A 8 2.885 0.966 0.367 1.00 74.32 H new ATOM 0 HZ PHE A 8 0.456 1.220 0.055 1.00 24.21 H new ATOM 114 N TYR A 9 5.025 -0.937 -4.188 1.00 44.24 N ATOM 115 CA TYR A 9 5.634 0.366 -4.474 1.00 43.12 C ATOM 116 C TYR A 9 5.509 0.708 -5.964 1.00 72.31 C ATOM 117 O TYR A 9 5.107 1.814 -6.322 1.00 21.23 O ATOM 118 CB TYR A 9 7.106 0.400 -4.035 1.00 35.03 C ATOM 119 CG TYR A 9 7.751 1.772 -4.185 1.00 34.02 C ATOM 120 CD1 TYR A 9 7.136 2.912 -3.672 1.00 51.11 C ATOM 121 CD2 TYR A 9 8.971 1.931 -4.838 1.00 1.01 C ATOM 122 CE1 TYR A 9 7.713 4.160 -3.807 1.00 64.14 C ATOM 123 CE2 TYR A 9 9.554 3.179 -4.973 1.00 11.11 C ATOM 124 CZ TYR A 9 8.919 4.290 -4.457 1.00 31.30 C ATOM 125 OH TYR A 9 9.492 5.536 -4.591 1.00 23.13 O ATOM 0 H TYR A 9 5.683 -1.662 -3.904 1.00 44.24 H new ATOM 0 HA TYR A 9 5.094 1.119 -3.900 1.00 43.12 H new ATOM 0 HB2 TYR A 9 7.174 0.087 -2.993 1.00 35.03 H new ATOM 0 HB3 TYR A 9 7.670 -0.324 -4.623 1.00 35.03 H new ATOM 0 HD1 TYR A 9 6.190 2.818 -3.159 1.00 51.11 H new ATOM 0 HD2 TYR A 9 9.471 1.065 -5.246 1.00 1.01 H new ATOM 0 HE1 TYR A 9 7.219 5.031 -3.403 1.00 64.14 H new ATOM 0 HE2 TYR A 9 10.502 3.283 -5.480 1.00 11.11 H new ATOM 0 HH TYR A 9 9.013 6.179 -4.028 1.00 23.13 H new ATOM 135 N ASN A 10 5.828 -0.253 -6.829 1.00 12.50 N ATOM 136 CA ASN A 10 5.697 -0.066 -8.280 1.00 50.41 C ATOM 137 C ASN A 10 4.262 0.349 -8.655 1.00 75.22 C ATOM 138 O ASN A 10 4.050 1.108 -9.604 1.00 14.10 O ATOM 139 CB ASN A 10 6.100 -1.357 -9.014 1.00 40.04 C ATOM 140 CG ASN A 10 6.007 -1.226 -10.525 1.00 43.51 C ATOM 141 OD1 ASN A 10 6.940 -0.771 -11.184 1.00 35.30 O ATOM 142 ND2 ASN A 10 4.889 -1.640 -11.091 1.00 22.43 N ATOM 0 H ASN A 10 6.179 -1.170 -6.554 1.00 12.50 H new ATOM 0 HA ASN A 10 6.366 0.737 -8.588 1.00 50.41 H new ATOM 0 HB2 ASN A 10 7.121 -1.623 -8.739 1.00 40.04 H new ATOM 0 HB3 ASN A 10 5.458 -2.173 -8.684 1.00 40.04 H new ATOM 0 HD21 ASN A 10 4.780 -1.588 -12.104 1.00 22.43 H new ATOM 0 HD22 ASN A 10 4.134 -2.012 -10.516 1.00 22.43 H new ATOM 149 N PHE A 11 3.288 -0.137 -7.888 1.00 64.43 N ATOM 150 CA PHE A 11 1.877 0.226 -8.079 1.00 52.03 C ATOM 151 C PHE A 11 1.631 1.725 -7.798 1.00 32.02 C ATOM 152 O PHE A 11 0.891 2.390 -8.527 1.00 60.54 O ATOM 153 CB PHE A 11 0.999 -0.646 -7.165 1.00 33.52 C ATOM 154 CG PHE A 11 -0.484 -0.375 -7.271 1.00 64.01 C ATOM 155 CD1 PHE A 11 -1.222 -0.891 -8.328 1.00 32.24 C ATOM 156 CD2 PHE A 11 -1.138 0.386 -6.310 1.00 23.52 C ATOM 157 CE1 PHE A 11 -2.579 -0.651 -8.425 1.00 51.23 C ATOM 158 CE2 PHE A 11 -2.495 0.629 -6.405 1.00 72.21 C ATOM 159 CZ PHE A 11 -3.217 0.110 -7.462 1.00 63.22 C ATOM 0 H PHE A 11 3.448 -0.789 -7.120 1.00 64.43 H new ATOM 0 HA PHE A 11 1.612 0.046 -9.121 1.00 52.03 H new ATOM 0 HB2 PHE A 11 1.181 -1.694 -7.401 1.00 33.52 H new ATOM 0 HB3 PHE A 11 1.310 -0.493 -6.131 1.00 33.52 H new ATOM 0 HD1 PHE A 11 -0.730 -1.487 -9.083 1.00 32.24 H new ATOM 0 HD2 PHE A 11 -0.580 0.792 -5.480 1.00 23.52 H new ATOM 0 HE1 PHE A 11 -3.142 -1.057 -9.252 1.00 51.23 H new ATOM 0 HE2 PHE A 11 -2.991 1.225 -5.653 1.00 72.21 H new ATOM 0 HZ PHE A 11 -4.278 0.298 -7.536 1.00 63.22 H new ATOM 169 N ILE A 12 2.258 2.255 -6.746 1.00 12.22 N ATOM 170 CA ILE A 12 2.092 3.671 -6.377 1.00 60.42 C ATOM 171 C ILE A 12 3.092 4.577 -7.137 1.00 4.11 C ATOM 172 O ILE A 12 2.951 5.805 -7.161 1.00 72.14 O ATOM 173 CB ILE A 12 2.246 3.876 -4.839 1.00 1.13 C ATOM 174 CG1 ILE A 12 1.777 5.279 -4.412 1.00 31.31 C ATOM 175 CG2 ILE A 12 3.687 3.645 -4.395 1.00 43.15 C ATOM 176 CD1 ILE A 12 0.308 5.541 -4.671 1.00 33.14 C ATOM 0 H ILE A 12 2.884 1.731 -6.134 1.00 12.22 H new ATOM 0 HA ILE A 12 1.081 3.960 -6.666 1.00 60.42 H new ATOM 0 HB ILE A 12 1.611 3.139 -4.348 1.00 1.13 H new ATOM 0 HG12 ILE A 12 1.977 5.410 -3.349 1.00 31.31 H new ATOM 0 HG13 ILE A 12 2.368 6.026 -4.942 1.00 31.31 H new ATOM 0 HG21 ILE A 12 3.764 3.795 -3.318 1.00 43.15 H new ATOM 0 HG22 ILE A 12 3.985 2.626 -4.642 1.00 43.15 H new ATOM 0 HG23 ILE A 12 4.343 4.349 -4.907 1.00 43.15 H new ATOM 0 HD11 ILE A 12 0.055 6.549 -4.343 1.00 33.14 H new ATOM 0 HD12 ILE A 12 0.104 5.444 -5.737 1.00 33.14 H new ATOM 0 HD13 ILE A 12 -0.293 4.819 -4.119 1.00 33.14 H new ATOM 188 N MET A 13 4.085 3.962 -7.790 1.00 31.34 N ATOM 189 CA MET A 13 5.114 4.706 -8.544 1.00 31.21 C ATOM 190 C MET A 13 4.574 5.334 -9.844 1.00 50.13 C ATOM 191 O MET A 13 5.348 5.780 -10.694 1.00 33.42 O ATOM 192 CB MET A 13 6.309 3.797 -8.871 1.00 31.41 C ATOM 193 CG MET A 13 7.202 3.491 -7.679 1.00 2.03 C ATOM 194 SD MET A 13 8.561 2.381 -8.091 1.00 55.41 S ATOM 195 CE MET A 13 9.418 3.339 -9.340 1.00 53.21 C ATOM 0 H MET A 13 4.202 2.949 -7.814 1.00 31.34 H new ATOM 0 HA MET A 13 5.434 5.522 -7.896 1.00 31.21 H new ATOM 0 HB2 MET A 13 5.936 2.859 -9.282 1.00 31.41 H new ATOM 0 HB3 MET A 13 6.909 4.270 -9.649 1.00 31.41 H new ATOM 0 HG2 MET A 13 7.607 4.423 -7.285 1.00 2.03 H new ATOM 0 HG3 MET A 13 6.602 3.044 -6.886 1.00 2.03 H new ATOM 0 HE1 MET A 13 10.441 2.977 -9.438 1.00 53.21 H new ATOM 0 HE2 MET A 13 8.903 3.235 -10.295 1.00 53.21 H new ATOM 0 HE3 MET A 13 9.432 4.389 -9.048 1.00 53.21 H new ATOM 205 N GLY A 14 3.258 5.373 -10.003 1.00 14.31 N ATOM 206 CA GLY A 14 2.664 6.071 -11.140 1.00 1.31 C ATOM 207 C GLY A 14 2.135 7.455 -10.774 1.00 33.34 C ATOM 208 O GLY A 14 1.689 8.206 -11.641 1.00 62.12 O ATOM 0 H GLY A 14 2.588 4.937 -9.370 1.00 14.31 H new ATOM 0 HA2 GLY A 14 3.409 6.169 -11.930 1.00 1.31 H new ATOM 0 HA3 GLY A 14 1.849 5.470 -11.544 1.00 1.31 H new ATOM 212 N PHE A 15 2.198 7.801 -9.488 1.00 71.03 N ATOM 213 CA PHE A 15 1.595 9.048 -8.991 1.00 71.33 C ATOM 214 C PHE A 15 2.630 10.127 -8.618 1.00 73.00 C ATOM 215 O PHE A 15 2.288 11.306 -8.546 1.00 31.05 O ATOM 216 CB PHE A 15 0.707 8.747 -7.777 1.00 55.14 C ATOM 217 CG PHE A 15 -0.457 7.834 -8.088 1.00 10.35 C ATOM 218 CD1 PHE A 15 -0.306 6.455 -8.051 1.00 12.20 C ATOM 219 CD2 PHE A 15 -1.699 8.357 -8.420 1.00 24.23 C ATOM 220 CE1 PHE A 15 -1.368 5.618 -8.336 1.00 41.03 C ATOM 221 CE2 PHE A 15 -2.764 7.523 -8.707 1.00 11.41 C ATOM 222 CZ PHE A 15 -2.596 6.151 -8.665 1.00 72.02 C ATOM 0 H PHE A 15 2.658 7.241 -8.770 1.00 71.03 H new ATOM 0 HA PHE A 15 1.002 9.453 -9.811 1.00 71.33 H new ATOM 0 HB2 PHE A 15 1.316 8.292 -6.996 1.00 55.14 H new ATOM 0 HB3 PHE A 15 0.324 9.686 -7.376 1.00 55.14 H new ATOM 0 HD1 PHE A 15 0.654 6.030 -7.796 1.00 12.20 H new ATOM 0 HD2 PHE A 15 -1.835 9.428 -8.455 1.00 24.23 H new ATOM 0 HE1 PHE A 15 -1.236 4.547 -8.301 1.00 41.03 H new ATOM 0 HE2 PHE A 15 -3.726 7.943 -8.964 1.00 11.41 H new ATOM 0 HZ PHE A 15 -3.426 5.498 -8.890 1.00 72.02 H new ATOM 232 N GLN A 16 3.890 9.742 -8.378 1.00 54.31 N ATOM 233 CA GLN A 16 4.903 10.712 -7.916 1.00 74.02 C ATOM 234 C GLN A 16 5.228 11.761 -8.999 1.00 11.03 C ATOM 235 O GLN A 16 5.565 12.904 -8.687 1.00 60.03 O ATOM 236 CB GLN A 16 6.203 10.014 -7.460 1.00 62.43 C ATOM 237 CG GLN A 16 7.155 9.632 -8.593 1.00 54.21 C ATOM 238 CD GLN A 16 6.644 8.491 -9.450 1.00 74.31 C ATOM 239 OE1 GLN A 16 5.905 8.696 -10.408 1.00 30.35 O ATOM 240 NE2 GLN A 16 7.042 7.281 -9.122 1.00 14.34 N ATOM 0 H GLN A 16 4.232 8.788 -8.492 1.00 54.31 H new ATOM 0 HA GLN A 16 4.466 11.223 -7.058 1.00 74.02 H new ATOM 0 HB2 GLN A 16 6.729 10.672 -6.768 1.00 62.43 H new ATOM 0 HB3 GLN A 16 5.940 9.113 -6.905 1.00 62.43 H new ATOM 0 HG2 GLN A 16 7.324 10.504 -9.225 1.00 54.21 H new ATOM 0 HG3 GLN A 16 8.120 9.354 -8.169 1.00 54.21 H new ATOM 0 HE21 GLN A 16 7.657 7.146 -8.319 1.00 14.34 H new ATOM 0 HE22 GLN A 16 6.736 6.477 -9.671 1.00 14.34 H new ATOM 249 N ASN A 17 5.119 11.365 -10.268 1.00 50.45 N ATOM 250 CA ASN A 17 5.388 12.268 -11.399 1.00 52.12 C ATOM 251 C ASN A 17 4.295 13.350 -11.526 1.00 64.04 C ATOM 252 O ASN A 17 4.437 14.314 -12.280 1.00 53.30 O ATOM 253 CB ASN A 17 5.493 11.448 -12.697 1.00 34.11 C ATOM 254 CG ASN A 17 5.989 12.266 -13.878 1.00 60.02 C ATOM 255 OD1 ASN A 17 5.210 12.847 -14.627 1.00 64.13 O ATOM 256 ND2 ASN A 17 7.294 12.317 -14.057 1.00 13.40 N ATOM 0 H ASN A 17 4.845 10.422 -10.544 1.00 50.45 H new ATOM 0 HA ASN A 17 6.333 12.779 -11.218 1.00 52.12 H new ATOM 0 HB2 ASN A 17 6.168 10.607 -12.535 1.00 34.11 H new ATOM 0 HB3 ASN A 17 4.515 11.030 -12.937 1.00 34.11 H new ATOM 0 HD21 ASN A 17 7.682 12.850 -14.835 1.00 13.40 H new ATOM 0 HD22 ASN A 17 7.916 11.823 -13.417 1.00 13.40 H new ATOM 263 N ASP A 18 3.206 13.179 -10.782 1.00 43.40 N ATOM 264 CA ASP A 18 2.099 14.139 -10.769 1.00 3.14 C ATOM 265 C ASP A 18 1.909 14.743 -9.367 1.00 73.32 C ATOM 266 O ASP A 18 2.089 14.059 -8.357 1.00 55.03 O ATOM 267 CB ASP A 18 0.809 13.448 -11.223 1.00 63.10 C ATOM 268 CG ASP A 18 0.851 13.052 -12.690 1.00 3.44 C ATOM 269 OD1 ASP A 18 1.488 12.034 -13.023 1.00 45.52 O ATOM 270 OD2 ASP A 18 0.258 13.775 -13.521 1.00 62.43 O ATOM 0 H ASP A 18 3.063 12.374 -10.172 1.00 43.40 H new ATOM 0 HA ASP A 18 2.338 14.950 -11.458 1.00 3.14 H new ATOM 0 HB2 ASP A 18 0.642 12.560 -10.614 1.00 63.10 H new ATOM 0 HB3 ASP A 18 -0.037 14.115 -11.053 1.00 63.10 H new ATOM 275 N ASN A 19 1.549 16.024 -9.305 1.00 3.40 N ATOM 276 CA ASN A 19 1.307 16.692 -8.017 1.00 53.30 C ATOM 277 C ASN A 19 0.025 16.165 -7.356 1.00 41.11 C ATOM 278 O ASN A 19 -1.059 16.736 -7.516 1.00 15.41 O ATOM 279 CB ASN A 19 1.230 18.214 -8.192 1.00 14.52 C ATOM 280 CG ASN A 19 2.550 18.812 -8.646 1.00 22.41 C ATOM 281 OD1 ASN A 19 3.409 19.141 -7.836 1.00 0.50 O ATOM 282 ND2 ASN A 19 2.725 18.963 -9.940 1.00 70.02 N ATOM 0 H ASN A 19 1.418 16.620 -10.122 1.00 3.40 H new ATOM 0 HA ASN A 19 2.149 16.464 -7.363 1.00 53.30 H new ATOM 0 HB2 ASN A 19 0.456 18.455 -8.920 1.00 14.52 H new ATOM 0 HB3 ASN A 19 0.933 18.671 -7.248 1.00 14.52 H new ATOM 0 HD21 ASN A 19 3.594 19.363 -10.294 1.00 70.02 H new ATOM 0 HD22 ASN A 19 1.992 18.680 -10.590 1.00 70.02 H new ATOM 289 N THR A 20 0.153 15.054 -6.633 1.00 70.22 N ATOM 290 CA THR A 20 -0.993 14.391 -5.991 1.00 71.14 C ATOM 291 C THR A 20 -0.658 13.960 -4.554 1.00 52.33 C ATOM 292 O THR A 20 0.494 13.644 -4.248 1.00 20.23 O ATOM 293 CB THR A 20 -1.431 13.125 -6.776 1.00 42.12 C ATOM 294 OG1 THR A 20 -0.378 12.144 -6.756 1.00 25.23 O ATOM 295 CG2 THR A 20 -1.794 13.458 -8.222 1.00 61.13 C ATOM 0 H THR A 20 1.045 14.586 -6.473 1.00 70.22 H new ATOM 0 HA THR A 20 -1.802 15.121 -5.983 1.00 71.14 H new ATOM 0 HB THR A 20 -2.319 12.723 -6.288 1.00 42.12 H new ATOM 0 HG1 THR A 20 0.215 12.285 -7.523 1.00 25.23 H new ATOM 0 HG21 THR A 20 -2.096 12.548 -8.740 1.00 61.13 H new ATOM 0 HG22 THR A 20 -2.617 14.173 -8.235 1.00 61.13 H new ATOM 0 HG23 THR A 20 -0.929 13.892 -8.724 1.00 61.13 H new ATOM 303 N PRO A 21 -1.661 13.933 -3.650 1.00 72.21 N ATOM 304 CA PRO A 21 -1.475 13.424 -2.274 1.00 62.14 C ATOM 305 C PRO A 21 -0.867 12.008 -2.247 1.00 71.25 C ATOM 306 O PRO A 21 -0.136 11.645 -1.322 1.00 24.03 O ATOM 307 CB PRO A 21 -2.901 13.415 -1.708 1.00 30.44 C ATOM 308 CG PRO A 21 -3.621 14.466 -2.488 1.00 52.24 C ATOM 309 CD PRO A 21 -3.039 14.415 -3.878 1.00 31.54 C ATOM 0 HA PRO A 21 -0.779 14.036 -1.701 1.00 62.14 H new ATOM 0 HB2 PRO A 21 -3.370 12.439 -1.830 1.00 30.44 H new ATOM 0 HB3 PRO A 21 -2.906 13.639 -0.641 1.00 30.44 H new ATOM 0 HG2 PRO A 21 -4.694 14.274 -2.506 1.00 52.24 H new ATOM 0 HG3 PRO A 21 -3.481 15.450 -2.041 1.00 52.24 H new ATOM 0 HD2 PRO A 21 -3.600 13.740 -4.525 1.00 31.54 H new ATOM 0 HD3 PRO A 21 -3.049 15.395 -4.355 1.00 31.54 H new ATOM 317 N PHE A 22 -1.171 11.218 -3.277 1.00 2.22 N ATOM 318 CA PHE A 22 -0.594 9.876 -3.428 1.00 31.53 C ATOM 319 C PHE A 22 0.911 9.960 -3.722 1.00 24.42 C ATOM 320 O PHE A 22 1.700 9.153 -3.225 1.00 3.45 O ATOM 321 CB PHE A 22 -1.310 9.117 -4.553 1.00 1.25 C ATOM 322 CG PHE A 22 -2.782 8.900 -4.298 1.00 64.52 C ATOM 323 CD1 PHE A 22 -3.717 9.853 -4.680 1.00 21.04 C ATOM 324 CD2 PHE A 22 -3.231 7.743 -3.672 1.00 12.12 C ATOM 325 CE1 PHE A 22 -5.064 9.657 -4.446 1.00 12.33 C ATOM 326 CE2 PHE A 22 -4.579 7.544 -3.434 1.00 63.12 C ATOM 327 CZ PHE A 22 -5.496 8.502 -3.823 1.00 31.13 C ATOM 0 H PHE A 22 -1.815 11.482 -4.023 1.00 2.22 H new ATOM 0 HA PHE A 22 -0.731 9.336 -2.491 1.00 31.53 H new ATOM 0 HB2 PHE A 22 -1.189 9.669 -5.485 1.00 1.25 H new ATOM 0 HB3 PHE A 22 -0.828 8.149 -4.691 1.00 1.25 H new ATOM 0 HD1 PHE A 22 -3.387 10.759 -5.166 1.00 21.04 H new ATOM 0 HD2 PHE A 22 -2.519 6.990 -3.368 1.00 12.12 H new ATOM 0 HE1 PHE A 22 -5.780 10.407 -4.750 1.00 12.33 H new ATOM 0 HE2 PHE A 22 -4.914 6.641 -2.945 1.00 63.12 H new ATOM 0 HZ PHE A 22 -6.549 8.348 -3.640 1.00 31.13 H new ATOM 337 N GLY A 23 1.303 10.947 -4.532 1.00 33.40 N ATOM 338 CA GLY A 23 2.716 11.186 -4.804 1.00 71.20 C ATOM 339 C GLY A 23 3.502 11.532 -3.543 1.00 41.43 C ATOM 340 O GLY A 23 4.651 11.116 -3.381 1.00 33.51 O ATOM 0 H GLY A 23 0.665 11.587 -5.006 1.00 33.40 H new ATOM 0 HA2 GLY A 23 3.149 10.299 -5.266 1.00 71.20 H new ATOM 0 HA3 GLY A 23 2.812 12.000 -5.523 1.00 71.20 H new ATOM 344 N ILE A 24 2.874 12.295 -2.645 1.00 51.12 N ATOM 345 CA ILE A 24 3.474 12.628 -1.345 1.00 54.15 C ATOM 346 C ILE A 24 3.880 11.354 -0.581 1.00 51.41 C ATOM 347 O ILE A 24 4.993 11.255 -0.053 1.00 53.43 O ATOM 348 CB ILE A 24 2.493 13.455 -0.469 1.00 25.23 C ATOM 349 CG1 ILE A 24 2.048 14.731 -1.209 1.00 32.01 C ATOM 350 CG2 ILE A 24 3.126 13.804 0.880 1.00 70.11 C ATOM 351 CD1 ILE A 24 3.185 15.670 -1.566 1.00 35.15 C ATOM 0 H ILE A 24 1.948 12.696 -2.792 1.00 51.12 H new ATOM 0 HA ILE A 24 4.363 13.226 -1.546 1.00 54.15 H new ATOM 0 HB ILE A 24 1.611 12.844 -0.279 1.00 25.23 H new ATOM 0 HG12 ILE A 24 1.527 14.445 -2.123 1.00 32.01 H new ATOM 0 HG13 ILE A 24 1.330 15.267 -0.587 1.00 32.01 H new ATOM 0 HG21 ILE A 24 2.419 14.383 1.475 1.00 70.11 H new ATOM 0 HG22 ILE A 24 3.381 12.887 1.411 1.00 70.11 H new ATOM 0 HG23 ILE A 24 4.030 14.391 0.717 1.00 70.11 H new ATOM 0 HD11 ILE A 24 2.787 16.543 -2.084 1.00 35.15 H new ATOM 0 HD12 ILE A 24 3.693 15.989 -0.656 1.00 35.15 H new ATOM 0 HD13 ILE A 24 3.893 15.154 -2.215 1.00 35.15 H new ATOM 363 N LEU A 25 2.970 10.384 -0.536 1.00 3.34 N ATOM 364 CA LEU A 25 3.232 9.092 0.108 1.00 22.52 C ATOM 365 C LEU A 25 4.339 8.325 -0.637 1.00 44.01 C ATOM 366 O LEU A 25 5.317 7.879 -0.030 1.00 23.43 O ATOM 367 CB LEU A 25 1.923 8.270 0.169 1.00 40.55 C ATOM 368 CG LEU A 25 1.965 6.932 0.951 1.00 51.22 C ATOM 369 CD1 LEU A 25 2.591 5.810 0.122 1.00 22.10 C ATOM 370 CD2 LEU A 25 2.706 7.100 2.279 1.00 12.22 C ATOM 0 H LEU A 25 2.037 10.466 -0.940 1.00 3.34 H new ATOM 0 HA LEU A 25 3.584 9.264 1.125 1.00 22.52 H new ATOM 0 HB2 LEU A 25 1.150 8.897 0.613 1.00 40.55 H new ATOM 0 HB3 LEU A 25 1.611 8.055 -0.853 1.00 40.55 H new ATOM 0 HG LEU A 25 0.934 6.648 1.163 1.00 51.22 H new ATOM 0 HD11 LEU A 25 2.602 4.889 0.705 1.00 22.10 H new ATOM 0 HD12 LEU A 25 2.006 5.658 -0.785 1.00 22.10 H new ATOM 0 HD13 LEU A 25 3.612 6.082 -0.146 1.00 22.10 H new ATOM 0 HD21 LEU A 25 2.722 6.148 2.810 1.00 12.22 H new ATOM 0 HD22 LEU A 25 3.728 7.426 2.087 1.00 12.22 H new ATOM 0 HD23 LEU A 25 2.196 7.846 2.888 1.00 12.22 H new ATOM 382 N ALA A 26 4.185 8.194 -1.957 1.00 31.40 N ATOM 383 CA ALA A 26 5.169 7.495 -2.799 1.00 72.34 C ATOM 384 C ALA A 26 6.586 8.066 -2.621 1.00 70.43 C ATOM 385 O ALA A 26 7.578 7.335 -2.688 1.00 42.41 O ATOM 386 CB ALA A 26 4.749 7.578 -4.263 1.00 55.21 C ATOM 0 H ALA A 26 3.385 8.564 -2.471 1.00 31.40 H new ATOM 0 HA ALA A 26 5.195 6.452 -2.484 1.00 72.34 H new ATOM 0 HB1 ALA A 26 5.481 7.059 -4.882 1.00 55.21 H new ATOM 0 HB2 ALA A 26 3.772 7.111 -4.388 1.00 55.21 H new ATOM 0 HB3 ALA A 26 4.693 8.623 -4.567 1.00 55.21 H new ATOM 392 N GLU A 27 6.672 9.374 -2.396 1.00 33.44 N ATOM 393 CA GLU A 27 7.957 10.037 -2.165 1.00 51.43 C ATOM 394 C GLU A 27 8.496 9.742 -0.754 1.00 42.12 C ATOM 395 O GLU A 27 9.674 9.424 -0.582 1.00 70.44 O ATOM 396 CB GLU A 27 7.809 11.551 -2.369 1.00 74.24 C ATOM 397 CG GLU A 27 9.121 12.321 -2.266 1.00 60.12 C ATOM 398 CD GLU A 27 8.931 13.819 -2.435 1.00 53.13 C ATOM 399 OE1 GLU A 27 8.807 14.284 -3.590 1.00 32.53 O ATOM 400 OE2 GLU A 27 8.894 14.538 -1.415 1.00 63.44 O ATOM 0 H GLU A 27 5.867 9.999 -2.368 1.00 33.44 H new ATOM 0 HA GLU A 27 8.674 9.644 -2.885 1.00 51.43 H new ATOM 0 HB2 GLU A 27 7.368 11.734 -3.349 1.00 74.24 H new ATOM 0 HB3 GLU A 27 7.111 11.941 -1.628 1.00 74.24 H new ATOM 0 HG2 GLU A 27 9.580 12.123 -1.297 1.00 60.12 H new ATOM 0 HG3 GLU A 27 9.813 11.958 -3.026 1.00 60.12 H new ATOM 407 N HIS A 28 7.629 9.827 0.255 1.00 33.22 N ATOM 408 CA HIS A 28 8.050 9.610 1.643 1.00 24.32 C ATOM 409 C HIS A 28 8.545 8.173 1.878 1.00 34.24 C ATOM 410 O HIS A 28 9.561 7.961 2.540 1.00 52.23 O ATOM 411 CB HIS A 28 6.916 9.936 2.622 1.00 64.11 C ATOM 412 CG HIS A 28 7.314 9.743 4.056 1.00 11.04 C ATOM 413 ND1 HIS A 28 7.927 10.718 4.805 1.00 21.04 N ATOM 414 CD2 HIS A 28 7.213 8.665 4.868 1.00 43.52 C ATOM 415 CE1 HIS A 28 8.191 10.253 6.006 1.00 12.24 C ATOM 416 NE2 HIS A 28 7.770 9.006 6.075 1.00 2.52 N ATOM 0 H HIS A 28 6.639 10.043 0.141 1.00 33.22 H new ATOM 0 HA HIS A 28 8.883 10.288 1.826 1.00 24.32 H new ATOM 0 HB2 HIS A 28 6.599 10.968 2.473 1.00 64.11 H new ATOM 0 HB3 HIS A 28 6.057 9.303 2.400 1.00 64.11 H new ATOM 0 HD1 HIS A 28 8.144 11.660 4.479 1.00 21.04 H new ATOM 0 HD2 HIS A 28 6.775 7.712 4.613 1.00 43.52 H new ATOM 0 HE1 HIS A 28 8.672 10.801 6.803 1.00 12.24 H new ATOM 425 N VAL A 29 7.823 7.186 1.351 1.00 30.44 N ATOM 426 CA VAL A 29 8.233 5.783 1.502 1.00 65.45 C ATOM 427 C VAL A 29 9.600 5.524 0.841 1.00 4.45 C ATOM 428 O VAL A 29 10.320 4.599 1.216 1.00 41.40 O ATOM 429 CB VAL A 29 7.177 4.805 0.928 1.00 64.33 C ATOM 430 CG1 VAL A 29 5.861 4.916 1.696 1.00 74.40 C ATOM 431 CG2 VAL A 29 6.953 5.047 -0.561 1.00 44.12 C ATOM 0 H VAL A 29 6.962 7.324 0.822 1.00 30.44 H new ATOM 0 HA VAL A 29 8.320 5.598 2.573 1.00 65.45 H new ATOM 0 HB VAL A 29 7.561 3.792 1.049 1.00 64.33 H new ATOM 0 HG11 VAL A 29 5.135 4.220 1.276 1.00 74.40 H new ATOM 0 HG12 VAL A 29 6.030 4.674 2.745 1.00 74.40 H new ATOM 0 HG13 VAL A 29 5.478 5.933 1.616 1.00 74.40 H new ATOM 0 HG21 VAL A 29 6.207 4.346 -0.935 1.00 44.12 H new ATOM 0 HG22 VAL A 29 6.602 6.067 -0.715 1.00 44.12 H new ATOM 0 HG23 VAL A 29 7.890 4.901 -1.098 1.00 44.12 H new ATOM 441 N SER A 30 9.955 6.361 -0.135 1.00 11.44 N ATOM 442 CA SER A 30 11.286 6.308 -0.756 1.00 31.45 C ATOM 443 C SER A 30 12.374 6.688 0.261 1.00 15.11 C ATOM 444 O SER A 30 13.506 6.207 0.191 1.00 12.15 O ATOM 445 CB SER A 30 11.357 7.247 -1.971 1.00 2.03 C ATOM 446 OG SER A 30 12.639 7.217 -2.577 1.00 5.30 O ATOM 0 H SER A 30 9.343 7.084 -0.514 1.00 11.44 H new ATOM 0 HA SER A 30 11.459 5.286 -1.092 1.00 31.45 H new ATOM 0 HB2 SER A 30 10.601 6.957 -2.701 1.00 2.03 H new ATOM 0 HB3 SER A 30 11.124 8.265 -1.659 1.00 2.03 H new ATOM 0 HG SER A 30 12.651 7.823 -3.347 1.00 5.30 H new ATOM 452 N GLU A 31 12.010 7.543 1.219 1.00 73.33 N ATOM 453 CA GLU A 31 12.924 7.962 2.288 1.00 15.55 C ATOM 454 C GLU A 31 13.108 6.843 3.329 1.00 41.45 C ATOM 455 O GLU A 31 14.232 6.510 3.708 1.00 55.31 O ATOM 456 CB GLU A 31 12.384 9.230 2.969 1.00 3.25 C ATOM 457 CG GLU A 31 12.107 10.375 2.001 1.00 41.22 C ATOM 458 CD GLU A 31 11.533 11.605 2.687 1.00 71.01 C ATOM 459 OE1 GLU A 31 12.313 12.372 3.290 1.00 2.42 O ATOM 460 OE2 GLU A 31 10.304 11.820 2.623 1.00 5.42 O ATOM 0 H GLU A 31 11.082 7.962 1.278 1.00 73.33 H new ATOM 0 HA GLU A 31 13.896 8.175 1.843 1.00 15.55 H new ATOM 0 HB2 GLU A 31 11.464 8.983 3.499 1.00 3.25 H new ATOM 0 HB3 GLU A 31 13.103 9.564 3.717 1.00 3.25 H new ATOM 0 HG2 GLU A 31 13.033 10.647 1.494 1.00 41.22 H new ATOM 0 HG3 GLU A 31 11.411 10.035 1.234 1.00 41.22 H new ATOM 467 N ASP A 32 11.996 6.265 3.790 1.00 60.40 N ATOM 468 CA ASP A 32 12.046 5.144 4.742 1.00 5.10 C ATOM 469 C ASP A 32 12.555 3.851 4.074 1.00 64.55 C ATOM 470 O ASP A 32 12.910 2.884 4.754 1.00 71.13 O ATOM 471 CB ASP A 32 10.671 4.917 5.383 1.00 61.45 C ATOM 472 CG ASP A 32 10.269 6.060 6.303 1.00 1.30 C ATOM 473 OD1 ASP A 32 11.048 6.391 7.222 1.00 34.21 O ATOM 474 OD2 ASP A 32 9.170 6.624 6.128 1.00 4.34 O ATOM 0 H ASP A 32 11.054 6.550 3.524 1.00 60.40 H new ATOM 0 HA ASP A 32 12.756 5.410 5.525 1.00 5.10 H new ATOM 0 HB2 ASP A 32 9.922 4.803 4.600 1.00 61.45 H new ATOM 0 HB3 ASP A 32 10.685 3.985 5.949 1.00 61.45 H new ATOM 479 N LYS A 33 12.598 3.850 2.742 1.00 4.44 N ATOM 480 CA LYS A 33 13.176 2.738 1.968 1.00 21.45 C ATOM 481 C LYS A 33 14.644 2.473 2.364 1.00 62.44 C ATOM 482 O LYS A 33 15.193 1.405 2.089 1.00 14.20 O ATOM 483 CB LYS A 33 13.090 3.057 0.467 1.00 72.03 C ATOM 484 CG LYS A 33 13.626 1.955 -0.443 1.00 12.14 C ATOM 485 CD LYS A 33 13.687 2.408 -1.898 1.00 3.34 C ATOM 486 CE LYS A 33 14.295 1.337 -2.795 1.00 3.42 C ATOM 487 NZ LYS A 33 14.496 1.819 -4.186 1.00 34.44 N ATOM 0 H LYS A 33 12.237 4.611 2.167 1.00 4.44 H new ATOM 0 HA LYS A 33 12.603 1.837 2.190 1.00 21.45 H new ATOM 0 HB2 LYS A 33 12.049 3.251 0.208 1.00 72.03 H new ATOM 0 HB3 LYS A 33 13.644 3.975 0.271 1.00 72.03 H new ATOM 0 HG2 LYS A 33 14.622 1.661 -0.111 1.00 12.14 H new ATOM 0 HG3 LYS A 33 12.989 1.074 -0.362 1.00 12.14 H new ATOM 0 HD2 LYS A 33 12.683 2.648 -2.247 1.00 3.34 H new ATOM 0 HD3 LYS A 33 14.277 3.322 -1.971 1.00 3.34 H new ATOM 0 HE2 LYS A 33 15.252 1.018 -2.381 1.00 3.42 H new ATOM 0 HE3 LYS A 33 13.645 0.462 -2.806 1.00 3.42 H new ATOM 0 HZ1 LYS A 33 14.911 1.058 -4.760 1.00 34.44 H new ATOM 0 HZ2 LYS A 33 13.580 2.099 -4.592 1.00 34.44 H new ATOM 0 HZ3 LYS A 33 15.137 2.638 -4.180 1.00 34.44 H new ATOM 501 N ALA A 34 15.274 3.458 3.010 1.00 60.45 N ATOM 502 CA ALA A 34 16.667 3.343 3.466 1.00 54.40 C ATOM 503 C ALA A 34 16.892 2.114 4.370 1.00 54.13 C ATOM 504 O ALA A 34 18.010 1.600 4.470 1.00 21.05 O ATOM 505 CB ALA A 34 17.077 4.619 4.197 1.00 54.44 C ATOM 0 H ALA A 34 14.838 4.353 3.232 1.00 60.45 H new ATOM 0 HA ALA A 34 17.291 3.206 2.583 1.00 54.40 H new ATOM 0 HB1 ALA A 34 18.110 4.530 4.533 1.00 54.44 H new ATOM 0 HB2 ALA A 34 16.988 5.470 3.522 1.00 54.44 H new ATOM 0 HB3 ALA A 34 16.427 4.770 5.059 1.00 54.44 H new ATOM 511 N PHE A 35 15.830 1.649 5.027 1.00 3.04 N ATOM 512 CA PHE A 35 15.908 0.483 5.918 1.00 44.35 C ATOM 513 C PHE A 35 15.151 -0.723 5.336 1.00 34.15 C ATOM 514 O PHE A 35 13.925 -0.803 5.441 1.00 72.42 O ATOM 515 CB PHE A 35 15.340 0.833 7.300 1.00 60.25 C ATOM 516 CG PHE A 35 16.111 1.912 8.018 1.00 65.41 C ATOM 517 CD1 PHE A 35 15.780 3.252 7.858 1.00 21.20 C ATOM 518 CD2 PHE A 35 17.170 1.583 8.851 1.00 21.41 C ATOM 519 CE1 PHE A 35 16.492 4.238 8.515 1.00 62.45 C ATOM 520 CE2 PHE A 35 17.881 2.565 9.509 1.00 22.15 C ATOM 521 CZ PHE A 35 17.544 3.893 9.341 1.00 64.35 C ATOM 0 H PHE A 35 14.900 2.062 4.961 1.00 3.04 H new ATOM 0 HA PHE A 35 16.959 0.210 6.015 1.00 44.35 H new ATOM 0 HB2 PHE A 35 14.304 1.153 7.187 1.00 60.25 H new ATOM 0 HB3 PHE A 35 15.330 -0.066 7.917 1.00 60.25 H new ATOM 0 HD1 PHE A 35 14.958 3.526 7.214 1.00 21.20 H new ATOM 0 HD2 PHE A 35 17.441 0.546 8.986 1.00 21.41 H new ATOM 0 HE1 PHE A 35 16.226 5.276 8.383 1.00 62.45 H new ATOM 0 HE2 PHE A 35 18.702 2.295 10.156 1.00 22.15 H new ATOM 0 HZ PHE A 35 18.102 4.662 9.855 1.00 64.35 H new ATOM 531 N PRO A 36 15.865 -1.674 4.698 1.00 43.55 N ATOM 532 CA PRO A 36 15.253 -2.908 4.174 1.00 4.32 C ATOM 533 C PRO A 36 14.633 -3.772 5.289 1.00 35.23 C ATOM 534 O PRO A 36 15.346 -4.369 6.101 1.00 5.12 O ATOM 535 CB PRO A 36 16.430 -3.643 3.501 1.00 64.13 C ATOM 536 CG PRO A 36 17.467 -2.589 3.281 1.00 3.41 C ATOM 537 CD PRO A 36 17.310 -1.619 4.418 1.00 42.45 C ATOM 0 HA PRO A 36 14.430 -2.696 3.492 1.00 4.32 H new ATOM 0 HB2 PRO A 36 16.810 -4.444 4.135 1.00 64.13 H new ATOM 0 HB3 PRO A 36 16.124 -4.099 2.559 1.00 64.13 H new ATOM 0 HG2 PRO A 36 18.468 -3.021 3.270 1.00 3.41 H new ATOM 0 HG3 PRO A 36 17.324 -2.093 2.321 1.00 3.41 H new ATOM 0 HD2 PRO A 36 17.901 -1.913 5.285 1.00 42.45 H new ATOM 0 HD3 PRO A 36 17.630 -0.615 4.140 1.00 42.45 H new ATOM 545 N ARG A 37 13.303 -3.828 5.329 1.00 2.51 N ATOM 546 CA ARG A 37 12.590 -4.555 6.387 1.00 50.02 C ATOM 547 C ARG A 37 12.422 -6.051 6.068 1.00 5.23 C ATOM 548 O ARG A 37 12.456 -6.883 6.974 1.00 61.53 O ATOM 549 CB ARG A 37 11.222 -3.906 6.641 1.00 52.41 C ATOM 550 CG ARG A 37 11.314 -2.525 7.287 1.00 11.21 C ATOM 551 CD ARG A 37 9.937 -1.940 7.587 1.00 53.52 C ATOM 552 NE ARG A 37 9.094 -2.873 8.334 1.00 11.03 N ATOM 553 CZ ARG A 37 8.593 -2.644 9.516 1.00 25.21 C ATOM 554 NH1 ARG A 37 8.915 -1.579 10.177 1.00 63.40 N ATOM 555 NH2 ARG A 37 7.788 -3.505 10.046 1.00 11.22 N ATOM 0 H ARG A 37 12.695 -3.380 4.644 1.00 2.51 H new ATOM 0 HA ARG A 37 13.199 -4.491 7.289 1.00 50.02 H new ATOM 0 HB2 ARG A 37 10.688 -3.821 5.695 1.00 52.41 H new ATOM 0 HB3 ARG A 37 10.632 -4.560 7.283 1.00 52.41 H new ATOM 0 HG2 ARG A 37 11.887 -2.595 8.211 1.00 11.21 H new ATOM 0 HG3 ARG A 37 11.858 -1.851 6.625 1.00 11.21 H new ATOM 0 HD2 ARG A 37 10.052 -1.019 8.158 1.00 53.52 H new ATOM 0 HD3 ARG A 37 9.444 -1.676 6.651 1.00 53.52 H new ATOM 0 HE ARG A 37 8.882 -3.770 7.898 1.00 11.03 H new ATOM 0 HH11 ARG A 37 9.568 -0.907 9.774 1.00 63.40 H new ATOM 0 HH12 ARG A 37 8.516 -1.412 11.101 1.00 63.40 H new ATOM 0 HH21 ARG A 37 7.548 -4.358 9.540 1.00 11.22 H new ATOM 0 HH22 ARG A 37 7.393 -3.332 10.970 1.00 11.22 H new ATOM 569 N LEU A 38 12.258 -6.387 4.785 1.00 41.52 N ATOM 570 CA LEU A 38 12.081 -7.793 4.358 1.00 53.22 C ATOM 571 C LEU A 38 10.810 -8.421 4.970 1.00 24.14 C ATOM 572 O LEU A 38 10.788 -9.611 5.288 1.00 43.45 O ATOM 573 CB LEU A 38 13.319 -8.642 4.727 1.00 5.11 C ATOM 574 CG LEU A 38 14.575 -8.436 3.857 1.00 33.12 C ATOM 575 CD1 LEU A 38 15.087 -7.001 3.936 1.00 22.33 C ATOM 576 CD2 LEU A 38 15.673 -9.419 4.263 1.00 45.21 C ATOM 0 H LEU A 38 12.243 -5.712 4.020 1.00 41.52 H new ATOM 0 HA LEU A 38 11.967 -7.786 3.274 1.00 53.22 H new ATOM 0 HB2 LEU A 38 13.582 -8.430 5.763 1.00 5.11 H new ATOM 0 HB3 LEU A 38 13.039 -9.694 4.679 1.00 5.11 H new ATOM 0 HG LEU A 38 14.294 -8.628 2.822 1.00 33.12 H new ATOM 0 HD11 LEU A 38 15.973 -6.896 3.310 1.00 22.33 H new ATOM 0 HD12 LEU A 38 14.312 -6.319 3.587 1.00 22.33 H new ATOM 0 HD13 LEU A 38 15.342 -6.762 4.968 1.00 22.33 H new ATOM 0 HD21 LEU A 38 16.553 -9.260 3.639 1.00 45.21 H new ATOM 0 HD22 LEU A 38 15.936 -9.259 5.309 1.00 45.21 H new ATOM 0 HD23 LEU A 38 15.314 -10.440 4.131 1.00 45.21 H new ATOM 588 N GLU A 39 9.747 -7.620 5.086 1.00 13.33 N ATOM 589 CA GLU A 39 8.475 -8.060 5.695 1.00 22.13 C ATOM 590 C GLU A 39 7.979 -9.413 5.151 1.00 51.23 C ATOM 591 O GLU A 39 7.350 -10.186 5.881 1.00 35.23 O ATOM 592 CB GLU A 39 7.385 -7.002 5.460 1.00 43.13 C ATOM 593 CG GLU A 39 7.700 -5.631 6.055 1.00 43.12 C ATOM 594 CD GLU A 39 7.836 -5.659 7.571 1.00 63.12 C ATOM 595 OE1 GLU A 39 6.823 -5.479 8.274 1.00 43.12 O ATOM 596 OE2 GLU A 39 8.964 -5.840 8.068 1.00 32.22 O ATOM 0 H GLU A 39 9.737 -6.652 4.764 1.00 13.33 H new ATOM 0 HA GLU A 39 8.672 -8.185 6.760 1.00 22.13 H new ATOM 0 HB2 GLU A 39 7.228 -6.892 4.387 1.00 43.13 H new ATOM 0 HB3 GLU A 39 6.448 -7.362 5.884 1.00 43.13 H new ATOM 0 HG2 GLU A 39 8.626 -5.256 5.619 1.00 43.12 H new ATOM 0 HG3 GLU A 39 6.911 -4.931 5.779 1.00 43.12 H new ATOM 603 N GLU A 40 8.248 -9.676 3.866 1.00 14.14 N ATOM 604 CA GLU A 40 7.785 -10.897 3.171 1.00 15.44 C ATOM 605 C GLU A 40 6.273 -10.855 2.877 1.00 61.23 C ATOM 606 O GLU A 40 5.833 -11.172 1.767 1.00 14.40 O ATOM 607 CB GLU A 40 8.119 -12.172 3.971 1.00 71.32 C ATOM 608 CG GLU A 40 7.763 -13.468 3.241 1.00 74.01 C ATOM 609 CD GLU A 40 7.735 -14.680 4.160 1.00 74.04 C ATOM 610 OE1 GLU A 40 8.813 -15.219 4.483 1.00 72.42 O ATOM 611 OE2 GLU A 40 6.628 -15.093 4.569 1.00 53.21 O ATOM 0 H GLU A 40 8.793 -9.051 3.273 1.00 14.14 H new ATOM 0 HA GLU A 40 8.322 -10.928 2.223 1.00 15.44 H new ATOM 0 HB2 GLU A 40 9.184 -12.177 4.202 1.00 71.32 H new ATOM 0 HB3 GLU A 40 7.587 -12.143 4.922 1.00 71.32 H new ATOM 0 HG2 GLU A 40 6.788 -13.356 2.767 1.00 74.01 H new ATOM 0 HG3 GLU A 40 8.486 -13.640 2.444 1.00 74.01 H new ATOM 618 N ARG A 41 5.478 -10.476 3.878 1.00 65.12 N ATOM 619 CA ARG A 41 4.020 -10.423 3.736 1.00 53.02 C ATOM 620 C ARG A 41 3.572 -9.110 3.063 1.00 3.34 C ATOM 621 O ARG A 41 4.385 -8.222 2.811 1.00 4.52 O ATOM 622 CB ARG A 41 3.343 -10.567 5.111 1.00 41.11 C ATOM 623 CG ARG A 41 3.955 -11.638 6.021 1.00 73.31 C ATOM 624 CD ARG A 41 4.222 -12.952 5.290 1.00 14.13 C ATOM 625 NE ARG A 41 3.073 -13.404 4.509 1.00 33.35 N ATOM 626 CZ ARG A 41 3.160 -14.168 3.458 1.00 70.53 C ATOM 627 NH1 ARG A 41 4.307 -14.652 3.088 1.00 21.50 N ATOM 628 NH2 ARG A 41 2.097 -14.465 2.791 1.00 63.51 N ATOM 0 H ARG A 41 5.819 -10.200 4.799 1.00 65.12 H new ATOM 0 HA ARG A 41 3.716 -11.254 3.099 1.00 53.02 H new ATOM 0 HB2 ARG A 41 3.387 -9.606 5.624 1.00 41.11 H new ATOM 0 HB3 ARG A 41 2.289 -10.799 4.959 1.00 41.11 H new ATOM 0 HG2 ARG A 41 4.890 -11.263 6.438 1.00 73.31 H new ATOM 0 HG3 ARG A 41 3.283 -11.824 6.859 1.00 73.31 H new ATOM 0 HD2 ARG A 41 5.080 -12.828 4.629 1.00 14.13 H new ATOM 0 HD3 ARG A 41 4.488 -13.720 6.016 1.00 14.13 H new ATOM 0 HE ARG A 41 2.145 -13.102 4.805 1.00 33.35 H new ATOM 0 HH11 ARG A 41 5.148 -14.435 3.622 1.00 21.50 H new ATOM 0 HH12 ARG A 41 4.366 -15.250 2.264 1.00 21.50 H new ATOM 0 HH21 ARG A 41 1.191 -14.102 3.087 1.00 63.51 H new ATOM 0 HH22 ARG A 41 2.162 -15.063 1.967 1.00 63.51 H new ATOM 642 N HIS A 42 2.274 -8.988 2.780 1.00 43.41 N ATOM 643 CA HIS A 42 1.740 -7.803 2.087 1.00 2.12 C ATOM 644 C HIS A 42 0.948 -6.877 3.029 1.00 53.21 C ATOM 645 O HIS A 42 1.249 -5.690 3.150 1.00 15.34 O ATOM 646 CB HIS A 42 0.842 -8.235 0.919 1.00 74.44 C ATOM 647 CG HIS A 42 1.570 -8.979 -0.160 1.00 24.24 C ATOM 648 ND1 HIS A 42 1.771 -10.342 -0.133 1.00 43.11 N ATOM 649 CD2 HIS A 42 2.138 -8.546 -1.312 1.00 24.52 C ATOM 650 CE1 HIS A 42 2.425 -10.712 -1.213 1.00 41.25 C ATOM 651 NE2 HIS A 42 2.660 -9.645 -1.948 1.00 41.13 N ATOM 0 H HIS A 42 1.572 -9.689 3.017 1.00 43.41 H new ATOM 0 HA HIS A 42 2.596 -7.240 1.714 1.00 2.12 H new ATOM 0 HB2 HIS A 42 0.039 -8.864 1.303 1.00 74.44 H new ATOM 0 HB3 HIS A 42 0.374 -7.351 0.486 1.00 74.44 H new ATOM 0 HD2 HIS A 42 2.173 -7.526 -1.664 1.00 24.52 H new ATOM 0 HE1 HIS A 42 2.720 -11.722 -1.456 1.00 41.25 H new ATOM 0 HE2 HIS A 42 3.149 -9.636 -2.843 1.00 41.13 H new ATOM 660 N GLN A 43 -0.060 -7.429 3.703 1.00 30.30 N ATOM 661 CA GLN A 43 -1.011 -6.616 4.476 1.00 11.14 C ATOM 662 C GLN A 43 -0.407 -6.101 5.796 1.00 30.35 C ATOM 663 O GLN A 43 -0.954 -5.190 6.419 1.00 4.21 O ATOM 664 CB GLN A 43 -2.287 -7.423 4.753 1.00 22.50 C ATOM 665 CG GLN A 43 -3.456 -6.584 5.256 1.00 30.30 C ATOM 666 CD GLN A 43 -4.725 -7.396 5.442 1.00 53.01 C ATOM 667 OE1 GLN A 43 -5.519 -7.552 4.519 1.00 51.11 O ATOM 668 NE2 GLN A 43 -4.929 -7.917 6.634 1.00 61.11 N ATOM 0 H GLN A 43 -0.243 -8.432 3.732 1.00 30.30 H new ATOM 0 HA GLN A 43 -1.255 -5.741 3.874 1.00 11.14 H new ATOM 0 HB2 GLN A 43 -2.587 -7.934 3.838 1.00 22.50 H new ATOM 0 HB3 GLN A 43 -2.064 -8.194 5.490 1.00 22.50 H new ATOM 0 HG2 GLN A 43 -3.184 -6.121 6.205 1.00 30.30 H new ATOM 0 HG3 GLN A 43 -3.647 -5.776 4.550 1.00 30.30 H new ATOM 0 HE21 GLN A 43 -4.249 -7.768 7.379 1.00 61.11 H new ATOM 0 HE22 GLN A 43 -5.767 -8.470 6.812 1.00 61.11 H new ATOM 677 N VAL A 44 0.718 -6.678 6.217 1.00 2.11 N ATOM 678 CA VAL A 44 1.408 -6.232 7.439 1.00 51.43 C ATOM 679 C VAL A 44 1.659 -4.711 7.434 1.00 53.50 C ATOM 680 O VAL A 44 1.555 -4.050 8.469 1.00 5.21 O ATOM 681 CB VAL A 44 2.752 -6.980 7.643 1.00 24.14 C ATOM 682 CG1 VAL A 44 2.509 -8.467 7.892 1.00 40.41 C ATOM 683 CG2 VAL A 44 3.683 -6.771 6.448 1.00 3.15 C ATOM 0 H VAL A 44 1.174 -7.453 5.736 1.00 2.11 H new ATOM 0 HA VAL A 44 0.744 -6.471 8.270 1.00 51.43 H new ATOM 0 HB VAL A 44 3.241 -6.563 8.523 1.00 24.14 H new ATOM 0 HG11 VAL A 44 3.464 -8.973 8.032 1.00 40.41 H new ATOM 0 HG12 VAL A 44 1.898 -8.591 8.786 1.00 40.41 H new ATOM 0 HG13 VAL A 44 1.992 -8.900 7.036 1.00 40.41 H new ATOM 0 HG21 VAL A 44 4.618 -7.306 6.617 1.00 3.15 H new ATOM 0 HG22 VAL A 44 3.206 -7.150 5.544 1.00 3.15 H new ATOM 0 HG23 VAL A 44 3.890 -5.707 6.330 1.00 3.15 H new ATOM 693 N ILE A 45 1.960 -4.161 6.255 1.00 44.23 N ATOM 694 CA ILE A 45 2.173 -2.716 6.096 1.00 44.45 C ATOM 695 C ILE A 45 0.972 -1.915 6.628 1.00 24.33 C ATOM 696 O ILE A 45 1.134 -0.900 7.308 1.00 33.30 O ATOM 697 CB ILE A 45 2.414 -2.357 4.607 1.00 51.01 C ATOM 698 CG1 ILE A 45 3.599 -3.163 4.048 1.00 32.55 C ATOM 699 CG2 ILE A 45 2.655 -0.856 4.438 1.00 23.43 C ATOM 700 CD1 ILE A 45 3.871 -2.917 2.577 1.00 12.02 C ATOM 0 H ILE A 45 2.063 -4.695 5.392 1.00 44.23 H new ATOM 0 HA ILE A 45 3.056 -2.451 6.677 1.00 44.45 H new ATOM 0 HB ILE A 45 1.519 -2.619 4.043 1.00 51.01 H new ATOM 0 HG12 ILE A 45 4.494 -2.917 4.619 1.00 32.55 H new ATOM 0 HG13 ILE A 45 3.407 -4.225 4.199 1.00 32.55 H new ATOM 0 HG21 ILE A 45 2.821 -0.631 3.385 1.00 23.43 H new ATOM 0 HG22 ILE A 45 1.784 -0.305 4.794 1.00 23.43 H new ATOM 0 HG23 ILE A 45 3.531 -0.561 5.015 1.00 23.43 H new ATOM 0 HD11 ILE A 45 4.720 -3.521 2.258 1.00 12.02 H new ATOM 0 HD12 ILE A 45 2.992 -3.191 1.994 1.00 12.02 H new ATOM 0 HD13 ILE A 45 4.097 -1.862 2.420 1.00 12.02 H new ATOM 712 N ARG A 46 -0.230 -2.410 6.334 1.00 30.03 N ATOM 713 CA ARG A 46 -1.485 -1.797 6.799 1.00 21.14 C ATOM 714 C ARG A 46 -1.532 -1.662 8.337 1.00 52.51 C ATOM 715 O ARG A 46 -2.226 -0.796 8.875 1.00 44.31 O ATOM 716 CB ARG A 46 -2.671 -2.635 6.285 1.00 62.40 C ATOM 717 CG ARG A 46 -4.017 -2.358 6.957 1.00 1.21 C ATOM 718 CD ARG A 46 -5.134 -3.171 6.306 1.00 63.11 C ATOM 719 NE ARG A 46 -6.354 -3.205 7.112 1.00 24.32 N ATOM 720 CZ ARG A 46 -7.542 -2.898 6.665 1.00 52.10 C ATOM 721 NH1 ARG A 46 -7.687 -2.341 5.506 1.00 11.03 N ATOM 722 NH2 ARG A 46 -8.582 -3.104 7.404 1.00 31.21 N ATOM 0 H ARG A 46 -0.367 -3.247 5.767 1.00 30.03 H new ATOM 0 HA ARG A 46 -1.546 -0.785 6.398 1.00 21.14 H new ATOM 0 HB2 ARG A 46 -2.778 -2.462 5.214 1.00 62.40 H new ATOM 0 HB3 ARG A 46 -2.431 -3.690 6.415 1.00 62.40 H new ATOM 0 HG2 ARG A 46 -3.955 -2.603 8.017 1.00 1.21 H new ATOM 0 HG3 ARG A 46 -4.249 -1.295 6.889 1.00 1.21 H new ATOM 0 HD2 ARG A 46 -5.362 -2.748 5.328 1.00 63.11 H new ATOM 0 HD3 ARG A 46 -4.786 -4.190 6.139 1.00 63.11 H new ATOM 0 HE ARG A 46 -6.271 -3.487 8.089 1.00 24.32 H new ATOM 0 HH11 ARG A 46 -6.869 -2.138 4.932 1.00 11.03 H new ATOM 0 HH12 ARG A 46 -8.620 -2.105 5.166 1.00 11.03 H new ATOM 0 HH21 ARG A 46 -8.474 -3.506 8.335 1.00 31.21 H new ATOM 0 HH22 ARG A 46 -9.510 -2.865 7.056 1.00 31.21 H new ATOM 736 N ALA A 47 -0.784 -2.513 9.036 1.00 51.04 N ATOM 737 CA ALA A 47 -0.694 -2.449 10.497 1.00 15.42 C ATOM 738 C ALA A 47 0.380 -1.446 10.952 1.00 72.33 C ATOM 739 O ALA A 47 0.126 -0.582 11.797 1.00 25.45 O ATOM 740 CB ALA A 47 -0.403 -3.835 11.064 1.00 13.24 C ATOM 0 H ALA A 47 -0.229 -3.258 8.615 1.00 51.04 H new ATOM 0 HA ALA A 47 -1.654 -2.101 10.879 1.00 15.42 H new ATOM 0 HB1 ALA A 47 -0.338 -3.777 12.151 1.00 13.24 H new ATOM 0 HB2 ALA A 47 -1.205 -4.518 10.784 1.00 13.24 H new ATOM 0 HB3 ALA A 47 0.542 -4.201 10.663 1.00 13.24 H new ATOM 746 N TYR A 48 1.573 -1.551 10.368 1.00 34.44 N ATOM 747 CA TYR A 48 2.717 -0.723 10.781 1.00 0.32 C ATOM 748 C TYR A 48 2.531 0.768 10.448 1.00 53.24 C ATOM 749 O TYR A 48 2.936 1.631 11.230 1.00 1.10 O ATOM 750 CB TYR A 48 4.014 -1.254 10.159 1.00 40.41 C ATOM 751 CG TYR A 48 4.402 -2.629 10.676 1.00 11.20 C ATOM 752 CD1 TYR A 48 5.022 -2.778 11.914 1.00 54.22 C ATOM 753 CD2 TYR A 48 4.131 -3.776 9.939 1.00 11.41 C ATOM 754 CE1 TYR A 48 5.361 -4.029 12.396 1.00 44.13 C ATOM 755 CE2 TYR A 48 4.462 -5.030 10.418 1.00 41.10 C ATOM 756 CZ TYR A 48 5.078 -5.151 11.645 1.00 42.53 C ATOM 757 OH TYR A 48 5.400 -6.400 12.131 1.00 20.11 O ATOM 0 H TYR A 48 1.777 -2.199 9.608 1.00 34.44 H new ATOM 0 HA TYR A 48 2.780 -0.795 11.867 1.00 0.32 H new ATOM 0 HB2 TYR A 48 3.899 -1.298 9.076 1.00 40.41 H new ATOM 0 HB3 TYR A 48 4.823 -0.553 10.365 1.00 40.41 H new ATOM 0 HD1 TYR A 48 5.242 -1.903 12.507 1.00 54.22 H new ATOM 0 HD2 TYR A 48 3.653 -3.686 8.975 1.00 11.41 H new ATOM 0 HE1 TYR A 48 5.845 -4.127 13.356 1.00 44.13 H new ATOM 0 HE2 TYR A 48 4.239 -5.910 9.834 1.00 41.10 H new ATOM 0 HH TYR A 48 5.133 -7.083 11.481 1.00 20.11 H new ATOM 767 N VAL A 49 1.918 1.082 9.304 1.00 2.20 N ATOM 768 CA VAL A 49 1.689 2.488 8.926 1.00 51.43 C ATOM 769 C VAL A 49 0.907 3.251 10.012 1.00 35.45 C ATOM 770 O VAL A 49 1.226 4.397 10.332 1.00 45.31 O ATOM 771 CB VAL A 49 0.951 2.619 7.566 1.00 71.40 C ATOM 772 CG1 VAL A 49 1.827 2.106 6.426 1.00 51.13 C ATOM 773 CG2 VAL A 49 -0.394 1.892 7.587 1.00 42.15 C ATOM 0 H VAL A 49 1.574 0.398 8.630 1.00 2.20 H new ATOM 0 HA VAL A 49 2.678 2.935 8.824 1.00 51.43 H new ATOM 0 HB VAL A 49 0.751 3.677 7.397 1.00 71.40 H new ATOM 0 HG11 VAL A 49 1.291 2.207 5.482 1.00 51.13 H new ATOM 0 HG12 VAL A 49 2.748 2.688 6.385 1.00 51.13 H new ATOM 0 HG13 VAL A 49 2.068 1.057 6.596 1.00 51.13 H new ATOM 0 HG21 VAL A 49 -0.883 2.004 6.620 1.00 42.15 H new ATOM 0 HG22 VAL A 49 -0.232 0.834 7.791 1.00 42.15 H new ATOM 0 HG23 VAL A 49 -1.026 2.319 8.365 1.00 42.15 H new ATOM 783 N MET A 50 -0.096 2.594 10.595 1.00 5.11 N ATOM 784 CA MET A 50 -0.903 3.193 11.668 1.00 3.33 C ATOM 785 C MET A 50 -0.098 3.324 12.972 1.00 54.35 C ATOM 786 O MET A 50 -0.350 4.215 13.785 1.00 14.22 O ATOM 787 CB MET A 50 -2.159 2.347 11.920 1.00 35.30 C ATOM 788 CG MET A 50 -3.089 2.250 10.719 1.00 74.12 C ATOM 789 SD MET A 50 -4.532 1.215 11.036 1.00 32.44 S ATOM 790 CE MET A 50 -5.408 1.364 9.480 1.00 13.14 C ATOM 0 H MET A 50 -0.372 1.645 10.344 1.00 5.11 H new ATOM 0 HA MET A 50 -1.194 4.193 11.345 1.00 3.33 H new ATOM 0 HB2 MET A 50 -1.855 1.342 12.214 1.00 35.30 H new ATOM 0 HB3 MET A 50 -2.709 2.772 12.760 1.00 35.30 H new ATOM 0 HG2 MET A 50 -3.419 3.250 10.439 1.00 74.12 H new ATOM 0 HG3 MET A 50 -2.538 1.847 9.870 1.00 74.12 H new ATOM 0 HE1 MET A 50 -6.326 0.777 9.521 1.00 13.14 H new ATOM 0 HE2 MET A 50 -5.654 2.410 9.300 1.00 13.14 H new ATOM 0 HE3 MET A 50 -4.778 0.995 8.671 1.00 13.14 H new ATOM 800 N SER A 51 0.869 2.430 13.161 1.00 32.13 N ATOM 801 CA SER A 51 1.707 2.426 14.370 1.00 45.25 C ATOM 802 C SER A 51 2.784 3.519 14.331 1.00 72.35 C ATOM 803 O SER A 51 3.179 4.046 15.370 1.00 52.31 O ATOM 804 CB SER A 51 2.378 1.056 14.548 1.00 21.24 C ATOM 805 OG SER A 51 3.281 1.052 15.646 1.00 53.21 O ATOM 0 H SER A 51 1.097 1.694 12.493 1.00 32.13 H new ATOM 0 HA SER A 51 1.050 2.631 15.215 1.00 45.25 H new ATOM 0 HB2 SER A 51 1.614 0.294 14.702 1.00 21.24 H new ATOM 0 HB3 SER A 51 2.913 0.791 13.636 1.00 21.24 H new ATOM 0 HG SER A 51 3.689 0.165 15.731 1.00 53.21 H new ATOM 811 N ASN A 52 3.263 3.848 13.132 1.00 4.55 N ATOM 812 CA ASN A 52 4.333 4.844 12.975 1.00 53.42 C ATOM 813 C ASN A 52 3.783 6.253 12.681 1.00 51.10 C ATOM 814 O ASN A 52 4.015 7.191 13.444 1.00 4.21 O ATOM 815 CB ASN A 52 5.297 4.427 11.856 1.00 44.40 C ATOM 816 CG ASN A 52 6.101 3.189 12.207 1.00 41.45 C ATOM 817 OD1 ASN A 52 7.173 3.279 12.789 1.00 22.10 O ATOM 818 ND2 ASN A 52 5.599 2.027 11.848 1.00 64.12 N ATOM 0 H ASN A 52 2.932 3.444 12.256 1.00 4.55 H new ATOM 0 HA ASN A 52 4.866 4.885 13.925 1.00 53.42 H new ATOM 0 HB2 ASN A 52 4.730 4.240 10.944 1.00 44.40 H new ATOM 0 HB3 ASN A 52 5.979 5.250 11.644 1.00 44.40 H new ATOM 0 HD21 ASN A 52 6.107 1.167 12.054 1.00 64.12 H new ATOM 0 HD22 ASN A 52 4.702 1.987 11.364 1.00 64.12 H new ATOM 825 N TYR A 53 3.049 6.390 11.580 1.00 71.13 N ATOM 826 CA TYR A 53 2.615 7.708 11.101 1.00 55.31 C ATOM 827 C TYR A 53 1.411 8.256 11.885 1.00 34.11 C ATOM 828 O TYR A 53 0.633 7.504 12.480 1.00 24.31 O ATOM 829 CB TYR A 53 2.265 7.636 9.610 1.00 32.33 C ATOM 830 CG TYR A 53 3.388 7.106 8.731 1.00 54.51 C ATOM 831 CD1 TYR A 53 4.516 7.875 8.470 1.00 12.41 C ATOM 832 CD2 TYR A 53 3.315 5.839 8.162 1.00 60.55 C ATOM 833 CE1 TYR A 53 5.537 7.400 7.668 1.00 4.10 C ATOM 834 CE2 TYR A 53 4.331 5.358 7.357 1.00 52.13 C ATOM 835 CZ TYR A 53 5.442 6.142 7.113 1.00 15.41 C ATOM 836 OH TYR A 53 6.453 5.667 6.304 1.00 53.12 O ATOM 0 H TYR A 53 2.741 5.609 11.001 1.00 71.13 H new ATOM 0 HA TYR A 53 3.448 8.393 11.260 1.00 55.31 H new ATOM 0 HB2 TYR A 53 1.389 7.000 9.484 1.00 32.33 H new ATOM 0 HB3 TYR A 53 1.988 8.632 9.265 1.00 32.33 H new ATOM 0 HD1 TYR A 53 4.596 8.862 8.902 1.00 12.41 H new ATOM 0 HD2 TYR A 53 2.450 5.221 8.352 1.00 60.55 H new ATOM 0 HE1 TYR A 53 6.406 8.012 7.477 1.00 4.10 H new ATOM 0 HE2 TYR A 53 4.256 4.373 6.921 1.00 52.13 H new ATOM 0 HH TYR A 53 7.259 6.208 6.436 1.00 53.12 H new ATOM 846 N THR A 54 1.270 9.578 11.876 1.00 62.33 N ATOM 847 CA THR A 54 0.126 10.256 12.504 1.00 63.40 C ATOM 848 C THR A 54 -0.857 10.784 11.449 1.00 52.44 C ATOM 849 O THR A 54 -2.076 10.717 11.623 1.00 31.34 O ATOM 850 CB THR A 54 0.585 11.443 13.385 1.00 50.04 C ATOM 851 OG1 THR A 54 1.338 12.382 12.593 1.00 15.01 O ATOM 852 CG2 THR A 54 1.435 10.965 14.560 1.00 22.53 C ATOM 0 H THR A 54 1.938 10.212 11.438 1.00 62.33 H new ATOM 0 HA THR A 54 -0.371 9.513 13.127 1.00 63.40 H new ATOM 0 HB THR A 54 -0.305 11.930 13.782 1.00 50.04 H new ATOM 0 HG1 THR A 54 1.623 13.131 13.157 1.00 15.01 H new ATOM 0 HG21 THR A 54 1.742 11.822 15.160 1.00 22.53 H new ATOM 0 HG22 THR A 54 0.852 10.281 15.176 1.00 22.53 H new ATOM 0 HG23 THR A 54 2.319 10.450 14.184 1.00 22.53 H new ATOM 860 N ASP A 55 -0.313 11.307 10.351 1.00 21.23 N ATOM 861 CA ASP A 55 -1.122 11.879 9.269 1.00 10.44 C ATOM 862 C ASP A 55 -1.796 10.787 8.422 1.00 42.24 C ATOM 863 O ASP A 55 -1.133 9.880 7.913 1.00 31.32 O ATOM 864 CB ASP A 55 -0.249 12.764 8.372 1.00 24.24 C ATOM 865 CG ASP A 55 0.359 13.934 9.123 1.00 43.25 C ATOM 866 OD1 ASP A 55 1.464 13.780 9.687 1.00 0.22 O ATOM 867 OD2 ASP A 55 -0.262 15.015 9.149 1.00 72.54 O ATOM 0 H ASP A 55 0.692 11.348 10.184 1.00 21.23 H new ATOM 0 HA ASP A 55 -1.907 12.480 9.727 1.00 10.44 H new ATOM 0 HB2 ASP A 55 0.549 12.161 7.938 1.00 24.24 H new ATOM 0 HB3 ASP A 55 -0.850 13.141 7.544 1.00 24.24 H new ATOM 872 N HIS A 56 -3.114 10.897 8.253 1.00 54.23 N ATOM 873 CA HIS A 56 -3.879 9.938 7.440 1.00 3.42 C ATOM 874 C HIS A 56 -3.306 9.835 6.017 1.00 30.32 C ATOM 875 O HIS A 56 -3.328 8.767 5.405 1.00 12.32 O ATOM 876 CB HIS A 56 -5.357 10.349 7.373 1.00 23.41 C ATOM 877 CG HIS A 56 -6.003 10.515 8.715 1.00 1.34 C ATOM 878 ND1 HIS A 56 -6.611 11.683 9.112 1.00 12.33 N ATOM 879 CD2 HIS A 56 -6.150 9.652 9.748 1.00 14.13 C ATOM 880 CE1 HIS A 56 -7.105 11.535 10.321 1.00 52.14 C ATOM 881 NE2 HIS A 56 -6.842 10.312 10.736 1.00 11.35 N ATOM 0 H HIS A 56 -3.678 11.639 8.666 1.00 54.23 H new ATOM 0 HA HIS A 56 -3.799 8.961 7.918 1.00 3.42 H new ATOM 0 HB2 HIS A 56 -5.439 11.287 6.823 1.00 23.41 H new ATOM 0 HB3 HIS A 56 -5.907 9.598 6.806 1.00 23.41 H new ATOM 0 HD2 HIS A 56 -5.791 8.634 9.788 1.00 14.13 H new ATOM 0 HE1 HIS A 56 -7.638 12.290 10.881 1.00 52.14 H new ATOM 0 HE2 HIS A 56 -7.108 9.920 11.640 1.00 11.35 H new ATOM 890 N GLN A 57 -2.769 10.952 5.519 1.00 21.45 N ATOM 891 CA GLN A 57 -2.194 11.021 4.168 1.00 63.45 C ATOM 892 C GLN A 57 -1.035 10.026 3.981 1.00 42.41 C ATOM 893 O GLN A 57 -0.739 9.612 2.862 1.00 63.25 O ATOM 894 CB GLN A 57 -1.704 12.447 3.858 1.00 70.01 C ATOM 895 CG GLN A 57 -2.809 13.505 3.792 1.00 52.35 C ATOM 896 CD GLN A 57 -3.452 13.797 5.140 1.00 64.24 C ATOM 897 OE1 GLN A 57 -2.997 14.654 5.887 1.00 21.21 O ATOM 898 NE2 GLN A 57 -4.515 13.090 5.463 1.00 34.35 N ATOM 0 H GLN A 57 -2.719 11.830 6.035 1.00 21.45 H new ATOM 0 HA GLN A 57 -2.988 10.749 3.472 1.00 63.45 H new ATOM 0 HB2 GLN A 57 -0.983 12.742 4.620 1.00 70.01 H new ATOM 0 HB3 GLN A 57 -1.174 12.435 2.905 1.00 70.01 H new ATOM 0 HG2 GLN A 57 -2.393 14.429 3.389 1.00 52.35 H new ATOM 0 HG3 GLN A 57 -3.579 13.172 3.096 1.00 52.35 H new ATOM 0 HE21 GLN A 57 -4.872 12.383 4.820 1.00 34.35 H new ATOM 0 HE22 GLN A 57 -4.982 13.250 6.356 1.00 34.35 H new ATOM 907 N LEU A 58 -0.373 9.656 5.077 1.00 65.11 N ATOM 908 CA LEU A 58 0.712 8.664 5.030 1.00 1.11 C ATOM 909 C LEU A 58 0.221 7.279 5.490 1.00 72.51 C ATOM 910 O LEU A 58 0.905 6.271 5.305 1.00 62.54 O ATOM 911 CB LEU A 58 1.889 9.128 5.905 1.00 55.32 C ATOM 912 CG LEU A 58 2.513 10.481 5.510 1.00 43.15 C ATOM 913 CD1 LEU A 58 3.645 10.859 6.464 1.00 4.35 C ATOM 914 CD2 LEU A 58 3.015 10.452 4.066 1.00 10.53 C ATOM 0 H LEU A 58 -0.565 10.025 6.008 1.00 65.11 H new ATOM 0 HA LEU A 58 1.047 8.576 3.996 1.00 1.11 H new ATOM 0 HB2 LEU A 58 1.548 9.192 6.938 1.00 55.32 H new ATOM 0 HB3 LEU A 58 2.667 8.365 5.873 1.00 55.32 H new ATOM 0 HG LEU A 58 1.735 11.241 5.585 1.00 43.15 H new ATOM 0 HD11 LEU A 58 4.069 11.817 6.164 1.00 4.35 H new ATOM 0 HD12 LEU A 58 3.255 10.936 7.479 1.00 4.35 H new ATOM 0 HD13 LEU A 58 4.420 10.093 6.431 1.00 4.35 H new ATOM 0 HD21 LEU A 58 3.451 11.419 3.813 1.00 10.53 H new ATOM 0 HD22 LEU A 58 3.771 9.674 3.959 1.00 10.53 H new ATOM 0 HD23 LEU A 58 2.182 10.243 3.395 1.00 10.53 H new ATOM 926 N ILE A 59 -0.971 7.240 6.085 1.00 11.43 N ATOM 927 CA ILE A 59 -1.548 5.996 6.613 1.00 62.30 C ATOM 928 C ILE A 59 -2.618 5.408 5.674 1.00 31.53 C ATOM 929 O ILE A 59 -2.410 4.372 5.035 1.00 72.12 O ATOM 930 CB ILE A 59 -2.196 6.232 8.002 1.00 52.34 C ATOM 931 CG1 ILE A 59 -1.165 6.787 8.999 1.00 42.13 C ATOM 932 CG2 ILE A 59 -2.817 4.940 8.534 1.00 35.42 C ATOM 933 CD1 ILE A 59 -1.752 7.143 10.349 1.00 23.52 C ATOM 0 H ILE A 59 -1.563 8.061 6.216 1.00 11.43 H new ATOM 0 HA ILE A 59 -0.723 5.289 6.697 1.00 62.30 H new ATOM 0 HB ILE A 59 -2.988 6.971 7.885 1.00 52.34 H new ATOM 0 HG12 ILE A 59 -0.375 6.049 9.140 1.00 42.13 H new ATOM 0 HG13 ILE A 59 -0.699 7.674 8.570 1.00 42.13 H new ATOM 0 HG21 ILE A 59 -3.266 5.127 9.509 1.00 35.42 H new ATOM 0 HG22 ILE A 59 -3.584 4.593 7.842 1.00 35.42 H new ATOM 0 HG23 ILE A 59 -2.044 4.178 8.631 1.00 35.42 H new ATOM 0 HD11 ILE A 59 -0.965 7.527 10.998 1.00 23.52 H new ATOM 0 HD12 ILE A 59 -2.522 7.904 10.222 1.00 23.52 H new ATOM 0 HD13 ILE A 59 -2.192 6.254 10.800 1.00 23.52 H new ATOM 945 N GLU A 60 -3.765 6.085 5.598 1.00 71.25 N ATOM 946 CA GLU A 60 -4.925 5.574 4.858 1.00 44.12 C ATOM 947 C GLU A 60 -4.698 5.598 3.341 1.00 42.22 C ATOM 948 O GLU A 60 -5.299 4.810 2.613 1.00 50.32 O ATOM 949 CB GLU A 60 -6.189 6.358 5.247 1.00 4.41 C ATOM 950 CG GLU A 60 -6.605 6.143 6.706 1.00 34.52 C ATOM 951 CD GLU A 60 -7.888 6.867 7.090 1.00 62.03 C ATOM 952 OE1 GLU A 60 -8.940 6.589 6.479 1.00 5.11 O ATOM 953 OE2 GLU A 60 -7.856 7.693 8.030 1.00 70.22 O ATOM 0 H GLU A 60 -3.918 6.991 6.040 1.00 71.25 H new ATOM 0 HA GLU A 60 -5.064 4.529 5.135 1.00 44.12 H new ATOM 0 HB2 GLU A 60 -6.016 7.421 5.078 1.00 4.41 H new ATOM 0 HB3 GLU A 60 -7.009 6.060 4.594 1.00 4.41 H new ATOM 0 HG2 GLU A 60 -6.734 5.075 6.884 1.00 34.52 H new ATOM 0 HG3 GLU A 60 -5.799 6.480 7.358 1.00 34.52 H new ATOM 960 N THR A 61 -3.830 6.493 2.867 1.00 34.41 N ATOM 961 CA THR A 61 -3.403 6.479 1.458 1.00 53.42 C ATOM 962 C THR A 61 -2.733 5.143 1.115 1.00 13.45 C ATOM 963 O THR A 61 -3.093 4.478 0.140 1.00 65.35 O ATOM 964 CB THR A 61 -2.408 7.625 1.143 1.00 30.10 C ATOM 965 OG1 THR A 61 -3.001 8.892 1.454 1.00 25.20 O ATOM 966 CG2 THR A 61 -1.986 7.614 -0.323 1.00 73.42 C ATOM 0 H THR A 61 -3.409 7.233 3.429 1.00 34.41 H new ATOM 0 HA THR A 61 -4.300 6.618 0.855 1.00 53.42 H new ATOM 0 HB THR A 61 -1.522 7.469 1.758 1.00 30.10 H new ATOM 0 HG1 THR A 61 -2.331 9.473 1.871 1.00 25.20 H new ATOM 0 HG21 THR A 61 -1.288 8.431 -0.507 1.00 73.42 H new ATOM 0 HG22 THR A 61 -1.503 6.665 -0.555 1.00 73.42 H new ATOM 0 HG23 THR A 61 -2.865 7.738 -0.956 1.00 73.42 H new ATOM 974 N THR A 62 -1.758 4.760 1.941 1.00 11.11 N ATOM 975 CA THR A 62 -1.069 3.470 1.811 1.00 23.11 C ATOM 976 C THR A 62 -2.070 2.307 1.875 1.00 54.44 C ATOM 977 O THR A 62 -2.076 1.425 1.015 1.00 53.51 O ATOM 978 CB THR A 62 -0.018 3.288 2.937 1.00 5.03 C ATOM 979 OG1 THR A 62 0.879 4.409 2.957 1.00 64.03 O ATOM 980 CG2 THR A 62 0.783 2.001 2.751 1.00 0.53 C ATOM 0 H THR A 62 -1.423 5.331 2.717 1.00 11.11 H new ATOM 0 HA THR A 62 -0.568 3.465 0.843 1.00 23.11 H new ATOM 0 HB THR A 62 -0.554 3.225 3.884 1.00 5.03 H new ATOM 0 HG1 THR A 62 0.757 4.911 3.790 1.00 64.03 H new ATOM 0 HG21 THR A 62 1.510 1.905 3.557 1.00 0.53 H new ATOM 0 HG22 THR A 62 0.107 1.146 2.768 1.00 0.53 H new ATOM 0 HG23 THR A 62 1.304 2.032 1.794 1.00 0.53 H new ATOM 988 N ASN A 63 -2.926 2.324 2.899 1.00 74.32 N ATOM 989 CA ASN A 63 -3.963 1.298 3.068 1.00 62.13 C ATOM 990 C ASN A 63 -4.874 1.199 1.831 1.00 31.15 C ATOM 991 O ASN A 63 -5.201 0.102 1.375 1.00 34.23 O ATOM 992 CB ASN A 63 -4.802 1.603 4.315 1.00 14.33 C ATOM 993 CG ASN A 63 -5.946 0.622 4.500 1.00 23.23 C ATOM 994 OD1 ASN A 63 -5.787 -0.426 5.107 1.00 23.55 O ATOM 995 ND2 ASN A 63 -7.106 0.953 3.969 1.00 20.11 N ATOM 0 H ASN A 63 -2.923 3.038 3.627 1.00 74.32 H new ATOM 0 HA ASN A 63 -3.464 0.337 3.190 1.00 62.13 H new ATOM 0 HB2 ASN A 63 -4.160 1.578 5.196 1.00 14.33 H new ATOM 0 HB3 ASN A 63 -5.203 2.614 4.241 1.00 14.33 H new ATOM 0 HD21 ASN A 63 -7.905 0.326 4.059 1.00 20.11 H new ATOM 0 HD22 ASN A 63 -7.204 1.836 3.468 1.00 20.11 H new ATOM 1002 N ARG A 64 -5.280 2.350 1.302 1.00 23.01 N ATOM 1003 CA ARG A 64 -6.131 2.398 0.110 1.00 45.24 C ATOM 1004 C ARG A 64 -5.444 1.712 -1.081 1.00 74.51 C ATOM 1005 O ARG A 64 -6.061 0.922 -1.797 1.00 20.41 O ATOM 1006 CB ARG A 64 -6.468 3.858 -0.237 1.00 72.41 C ATOM 1007 CG ARG A 64 -7.405 4.025 -1.432 1.00 1.41 C ATOM 1008 CD ARG A 64 -7.768 5.491 -1.663 1.00 55.41 C ATOM 1009 NE ARG A 64 -8.673 5.670 -2.797 1.00 51.31 N ATOM 1010 CZ ARG A 64 -9.236 6.808 -3.109 1.00 64.41 C ATOM 1011 NH1 ARG A 64 -9.083 7.853 -2.359 1.00 21.42 N ATOM 1012 NH2 ARG A 64 -9.980 6.887 -4.162 1.00 64.01 N ATOM 0 H ARG A 64 -5.034 3.265 1.679 1.00 23.01 H new ATOM 0 HA ARG A 64 -7.055 1.861 0.324 1.00 45.24 H new ATOM 0 HB2 ARG A 64 -6.923 4.329 0.634 1.00 72.41 H new ATOM 0 HB3 ARG A 64 -5.541 4.393 -0.441 1.00 72.41 H new ATOM 0 HG2 ARG A 64 -6.930 3.622 -2.326 1.00 1.41 H new ATOM 0 HG3 ARG A 64 -8.314 3.447 -1.266 1.00 1.41 H new ATOM 0 HD2 ARG A 64 -8.234 5.893 -0.763 1.00 55.41 H new ATOM 0 HD3 ARG A 64 -6.857 6.065 -1.834 1.00 55.41 H new ATOM 0 HE ARG A 64 -8.878 4.858 -3.380 1.00 51.31 H new ATOM 0 HH11 ARG A 64 -8.517 7.795 -1.512 1.00 21.42 H new ATOM 0 HH12 ARG A 64 -9.528 8.734 -2.615 1.00 21.42 H new ATOM 0 HH21 ARG A 64 -10.126 6.064 -4.746 1.00 64.01 H new ATOM 0 HH22 ARG A 64 -10.421 7.773 -4.409 1.00 64.01 H new ATOM 1026 N ALA A 65 -4.160 2.012 -1.280 1.00 3.45 N ATOM 1027 CA ALA A 65 -3.371 1.370 -2.337 1.00 51.33 C ATOM 1028 C ALA A 65 -3.320 -0.157 -2.151 1.00 3.51 C ATOM 1029 O ALA A 65 -3.428 -0.913 -3.116 1.00 44.03 O ATOM 1030 CB ALA A 65 -1.965 1.958 -2.371 1.00 20.33 C ATOM 0 H ALA A 65 -3.643 2.694 -0.725 1.00 3.45 H new ATOM 0 HA ALA A 65 -3.858 1.567 -3.292 1.00 51.33 H new ATOM 0 HB1 ALA A 65 -1.387 1.475 -3.159 1.00 20.33 H new ATOM 0 HB2 ALA A 65 -2.023 3.028 -2.568 1.00 20.33 H new ATOM 0 HB3 ALA A 65 -1.478 1.792 -1.410 1.00 20.33 H new ATOM 1036 N ILE A 66 -3.164 -0.602 -0.900 1.00 2.15 N ATOM 1037 CA ILE A 66 -3.187 -2.037 -0.575 1.00 14.52 C ATOM 1038 C ILE A 66 -4.554 -2.659 -0.913 1.00 22.54 C ATOM 1039 O ILE A 66 -4.635 -3.730 -1.522 1.00 23.54 O ATOM 1040 CB ILE A 66 -2.883 -2.289 0.931 1.00 25.44 C ATOM 1041 CG1 ILE A 66 -1.500 -1.731 1.306 1.00 12.12 C ATOM 1042 CG2 ILE A 66 -2.963 -3.782 1.265 1.00 4.14 C ATOM 1043 CD1 ILE A 66 -1.145 -1.895 2.770 1.00 54.33 C ATOM 0 H ILE A 66 -3.020 0.008 -0.095 1.00 2.15 H new ATOM 0 HA ILE A 66 -2.411 -2.506 -1.179 1.00 14.52 H new ATOM 0 HB ILE A 66 -3.639 -1.767 1.517 1.00 25.44 H new ATOM 0 HG12 ILE A 66 -0.742 -2.229 0.701 1.00 12.12 H new ATOM 0 HG13 ILE A 66 -1.466 -0.672 1.051 1.00 12.12 H new ATOM 0 HG21 ILE A 66 -2.746 -3.930 2.323 1.00 4.14 H new ATOM 0 HG22 ILE A 66 -3.965 -4.151 1.044 1.00 4.14 H new ATOM 0 HG23 ILE A 66 -2.235 -4.328 0.666 1.00 4.14 H new ATOM 0 HD11 ILE A 66 -0.155 -1.477 2.953 1.00 54.33 H new ATOM 0 HD12 ILE A 66 -1.879 -1.372 3.383 1.00 54.33 H new ATOM 0 HD13 ILE A 66 -1.145 -2.954 3.028 1.00 54.33 H new ATOM 1055 N SER A 67 -5.622 -1.971 -0.517 1.00 3.21 N ATOM 1056 CA SER A 67 -6.993 -2.442 -0.761 1.00 41.15 C ATOM 1057 C SER A 67 -7.287 -2.569 -2.263 1.00 31.41 C ATOM 1058 O SER A 67 -7.943 -3.514 -2.701 1.00 11.25 O ATOM 1059 CB SER A 67 -8.010 -1.493 -0.110 1.00 23.30 C ATOM 1060 OG SER A 67 -9.342 -1.962 -0.284 1.00 41.03 O ATOM 0 H SER A 67 -5.569 -1.080 -0.023 1.00 3.21 H new ATOM 0 HA SER A 67 -7.084 -3.431 -0.312 1.00 41.15 H new ATOM 0 HB2 SER A 67 -7.792 -1.398 0.954 1.00 23.30 H new ATOM 0 HB3 SER A 67 -7.913 -0.499 -0.546 1.00 23.30 H new ATOM 0 HG SER A 67 -9.967 -1.339 0.142 1.00 41.03 H new ATOM 1066 N LEU A 68 -6.801 -1.609 -3.048 1.00 13.32 N ATOM 1067 CA LEU A 68 -6.951 -1.652 -4.508 1.00 21.22 C ATOM 1068 C LEU A 68 -6.052 -2.739 -5.128 1.00 22.13 C ATOM 1069 O LEU A 68 -6.466 -3.459 -6.039 1.00 45.52 O ATOM 1070 CB LEU A 68 -6.615 -0.280 -5.118 1.00 63.04 C ATOM 1071 CG LEU A 68 -7.519 0.883 -4.663 1.00 20.42 C ATOM 1072 CD1 LEU A 68 -7.055 2.203 -5.276 1.00 63.30 C ATOM 1073 CD2 LEU A 68 -8.980 0.606 -5.020 1.00 0.45 C ATOM 0 H LEU A 68 -6.300 -0.791 -2.701 1.00 13.32 H new ATOM 0 HA LEU A 68 -7.989 -1.899 -4.732 1.00 21.22 H new ATOM 0 HB2 LEU A 68 -5.582 -0.034 -4.871 1.00 63.04 H new ATOM 0 HB3 LEU A 68 -6.672 -0.360 -6.204 1.00 63.04 H new ATOM 0 HG LEU A 68 -7.443 0.966 -3.579 1.00 20.42 H new ATOM 0 HD11 LEU A 68 -7.708 3.009 -4.941 1.00 63.30 H new ATOM 0 HD12 LEU A 68 -6.032 2.410 -4.962 1.00 63.30 H new ATOM 0 HD13 LEU A 68 -7.094 2.133 -6.363 1.00 63.30 H new ATOM 0 HD21 LEU A 68 -9.600 1.440 -4.690 1.00 0.45 H new ATOM 0 HD22 LEU A 68 -9.075 0.489 -6.100 1.00 0.45 H new ATOM 0 HD23 LEU A 68 -9.308 -0.308 -4.526 1.00 0.45 H new ATOM 1085 N TYR A 69 -4.828 -2.859 -4.612 1.00 2.13 N ATOM 1086 CA TYR A 69 -3.863 -3.862 -5.084 1.00 31.13 C ATOM 1087 C TYR A 69 -4.439 -5.285 -5.001 1.00 11.54 C ATOM 1088 O TYR A 69 -4.487 -6.006 -6.000 1.00 62.23 O ATOM 1089 CB TYR A 69 -2.572 -3.770 -4.255 1.00 40.21 C ATOM 1090 CG TYR A 69 -1.497 -4.771 -4.649 1.00 35.15 C ATOM 1091 CD1 TYR A 69 -0.626 -4.511 -5.702 1.00 24.13 C ATOM 1092 CD2 TYR A 69 -1.350 -5.974 -3.962 1.00 0.24 C ATOM 1093 CE1 TYR A 69 0.357 -5.418 -6.058 1.00 12.01 C ATOM 1094 CE2 TYR A 69 -0.370 -6.885 -4.313 1.00 43.32 C ATOM 1095 CZ TYR A 69 0.481 -6.602 -5.361 1.00 14.53 C ATOM 1096 OH TYR A 69 1.461 -7.505 -5.714 1.00 34.22 O ATOM 0 H TYR A 69 -4.476 -2.268 -3.859 1.00 2.13 H new ATOM 0 HA TYR A 69 -3.644 -3.652 -6.131 1.00 31.13 H new ATOM 0 HB2 TYR A 69 -2.165 -2.763 -4.350 1.00 40.21 H new ATOM 0 HB3 TYR A 69 -2.819 -3.916 -3.204 1.00 40.21 H new ATOM 0 HD1 TYR A 69 -0.718 -3.586 -6.251 1.00 24.13 H new ATOM 0 HD2 TYR A 69 -2.013 -6.200 -3.140 1.00 0.24 H new ATOM 0 HE1 TYR A 69 1.025 -5.200 -6.878 1.00 12.01 H new ATOM 0 HE2 TYR A 69 -0.272 -7.813 -3.769 1.00 43.32 H new ATOM 0 HH TYR A 69 1.414 -8.286 -5.124 1.00 34.22 H new ATOM 1106 N MET A 70 -4.873 -5.683 -3.805 1.00 54.54 N ATOM 1107 CA MET A 70 -5.442 -7.022 -3.608 1.00 53.41 C ATOM 1108 C MET A 70 -6.716 -7.222 -4.446 1.00 2.24 C ATOM 1109 O MET A 70 -6.930 -8.292 -5.013 1.00 4.01 O ATOM 1110 CB MET A 70 -5.738 -7.281 -2.122 1.00 41.01 C ATOM 1111 CG MET A 70 -6.772 -6.342 -1.514 1.00 33.23 C ATOM 1112 SD MET A 70 -7.135 -6.728 0.213 1.00 25.21 S ATOM 1113 CE MET A 70 -7.760 -8.405 0.067 1.00 70.34 C ATOM 0 H MET A 70 -4.844 -5.106 -2.964 1.00 54.54 H new ATOM 0 HA MET A 70 -4.698 -7.743 -3.946 1.00 53.41 H new ATOM 0 HB2 MET A 70 -6.085 -8.308 -2.007 1.00 41.01 H new ATOM 0 HB3 MET A 70 -4.809 -7.193 -1.558 1.00 41.01 H new ATOM 0 HG2 MET A 70 -6.411 -5.316 -1.584 1.00 33.23 H new ATOM 0 HG3 MET A 70 -7.692 -6.396 -2.095 1.00 33.23 H new ATOM 0 HE1 MET A 70 -8.596 -8.543 0.753 1.00 70.34 H new ATOM 0 HE2 MET A 70 -8.097 -8.580 -0.955 1.00 70.34 H new ATOM 0 HE3 MET A 70 -6.967 -9.111 0.314 1.00 70.34 H new ATOM 1123 N ALA A 71 -7.544 -6.177 -4.538 1.00 2.31 N ATOM 1124 CA ALA A 71 -8.792 -6.235 -5.308 1.00 32.11 C ATOM 1125 C ALA A 71 -8.530 -6.560 -6.788 1.00 44.10 C ATOM 1126 O ALA A 71 -9.208 -7.402 -7.383 1.00 5.12 O ATOM 1127 CB ALA A 71 -9.549 -4.917 -5.179 1.00 65.04 C ATOM 0 H ALA A 71 -7.373 -5.278 -4.088 1.00 2.31 H new ATOM 0 HA ALA A 71 -9.402 -7.040 -4.897 1.00 32.11 H new ATOM 0 HB1 ALA A 71 -10.473 -4.971 -5.754 1.00 65.04 H new ATOM 0 HB2 ALA A 71 -9.784 -4.733 -4.131 1.00 65.04 H new ATOM 0 HB3 ALA A 71 -8.931 -4.104 -5.560 1.00 65.04 H new ATOM 1133 N ASN A 72 -7.541 -5.885 -7.370 1.00 62.34 N ATOM 1134 CA ASN A 72 -7.135 -6.129 -8.760 1.00 41.34 C ATOM 1135 C ASN A 72 -6.754 -7.606 -8.970 1.00 61.35 C ATOM 1136 O ASN A 72 -7.203 -8.250 -9.921 1.00 33.32 O ATOM 1137 CB ASN A 72 -5.951 -5.212 -9.119 1.00 32.23 C ATOM 1138 CG ASN A 72 -5.488 -5.365 -10.559 1.00 43.54 C ATOM 1139 OD1 ASN A 72 -6.274 -5.649 -11.458 1.00 71.04 O ATOM 1140 ND2 ASN A 72 -4.204 -5.178 -10.790 1.00 12.54 N ATOM 0 H ASN A 72 -7.000 -5.159 -6.900 1.00 62.34 H new ATOM 0 HA ASN A 72 -7.976 -5.904 -9.416 1.00 41.34 H new ATOM 0 HB2 ASN A 72 -6.238 -4.175 -8.945 1.00 32.23 H new ATOM 0 HB3 ASN A 72 -5.117 -5.429 -8.451 1.00 32.23 H new ATOM 0 HD21 ASN A 72 -3.838 -5.268 -11.738 1.00 12.54 H new ATOM 0 HD22 ASN A 72 -3.576 -4.943 -10.021 1.00 12.54 H new ATOM 1147 N LEU A 73 -5.951 -8.140 -8.055 1.00 72.53 N ATOM 1148 CA LEU A 73 -5.489 -9.529 -8.139 1.00 33.52 C ATOM 1149 C LEU A 73 -6.661 -10.521 -8.037 1.00 50.24 C ATOM 1150 O LEU A 73 -6.944 -11.262 -8.982 1.00 11.34 O ATOM 1151 CB LEU A 73 -4.444 -9.795 -7.033 1.00 51.35 C ATOM 1152 CG LEU A 73 -3.634 -11.108 -7.141 1.00 2.41 C ATOM 1153 CD1 LEU A 73 -4.453 -12.328 -6.709 1.00 32.54 C ATOM 1154 CD2 LEU A 73 -3.097 -11.293 -8.560 1.00 62.12 C ATOM 0 H LEU A 73 -5.603 -7.632 -7.242 1.00 72.53 H new ATOM 0 HA LEU A 73 -5.025 -9.680 -9.113 1.00 33.52 H new ATOM 0 HB2 LEU A 73 -3.741 -8.962 -7.022 1.00 51.35 H new ATOM 0 HB3 LEU A 73 -4.958 -9.791 -6.072 1.00 51.35 H new ATOM 0 HG LEU A 73 -2.792 -11.026 -6.454 1.00 2.41 H new ATOM 0 HD11 LEU A 73 -3.843 -13.227 -6.802 1.00 32.54 H new ATOM 0 HD12 LEU A 73 -4.766 -12.207 -5.672 1.00 32.54 H new ATOM 0 HD13 LEU A 73 -5.333 -12.419 -7.346 1.00 32.54 H new ATOM 0 HD21 LEU A 73 -2.530 -12.222 -8.616 1.00 62.12 H new ATOM 0 HD22 LEU A 73 -3.930 -11.333 -9.262 1.00 62.12 H new ATOM 0 HD23 LEU A 73 -2.448 -10.456 -8.815 1.00 62.12 H new ATOM 1166 N GLU A 74 -7.348 -10.518 -6.893 1.00 51.25 N ATOM 1167 CA GLU A 74 -8.418 -11.492 -6.623 1.00 12.51 C ATOM 1168 C GLU A 74 -9.488 -11.524 -7.730 1.00 62.43 C ATOM 1169 O GLU A 74 -9.875 -12.598 -8.193 1.00 51.54 O ATOM 1170 CB GLU A 74 -9.076 -11.199 -5.267 1.00 34.04 C ATOM 1171 CG GLU A 74 -9.624 -9.780 -5.139 1.00 52.32 C ATOM 1172 CD GLU A 74 -10.267 -9.504 -3.788 1.00 25.42 C ATOM 1173 OE1 GLU A 74 -9.569 -9.605 -2.756 1.00 71.32 O ATOM 1174 OE2 GLU A 74 -11.472 -9.179 -3.754 1.00 1.11 O ATOM 0 H GLU A 74 -7.186 -9.854 -6.136 1.00 51.25 H new ATOM 0 HA GLU A 74 -7.949 -12.476 -6.600 1.00 12.51 H new ATOM 0 HB2 GLU A 74 -9.889 -11.908 -5.108 1.00 34.04 H new ATOM 0 HB3 GLU A 74 -8.346 -11.369 -4.476 1.00 34.04 H new ATOM 0 HG2 GLU A 74 -8.814 -9.069 -5.300 1.00 52.32 H new ATOM 0 HG3 GLU A 74 -10.359 -9.609 -5.925 1.00 52.32 H new ATOM 1181 N HIS A 75 -9.947 -10.353 -8.170 1.00 41.34 N ATOM 1182 CA HIS A 75 -11.011 -10.280 -9.180 1.00 3.13 C ATOM 1183 C HIS A 75 -10.535 -10.812 -10.542 1.00 31.25 C ATOM 1184 O HIS A 75 -11.262 -11.531 -11.224 1.00 40.54 O ATOM 1185 CB HIS A 75 -11.532 -8.843 -9.309 1.00 13.00 C ATOM 1186 CG HIS A 75 -12.094 -8.304 -8.026 1.00 24.01 C ATOM 1187 ND1 HIS A 75 -11.858 -7.025 -7.576 1.00 73.51 N ATOM 1188 CD2 HIS A 75 -12.876 -8.888 -7.088 1.00 33.45 C ATOM 1189 CE1 HIS A 75 -12.464 -6.847 -6.420 1.00 0.01 C ATOM 1190 NE2 HIS A 75 -13.088 -7.961 -6.097 1.00 23.02 N ATOM 0 H HIS A 75 -9.605 -9.447 -7.849 1.00 41.34 H new ATOM 0 HA HIS A 75 -11.830 -10.918 -8.847 1.00 3.13 H new ATOM 0 HB2 HIS A 75 -10.720 -8.197 -9.643 1.00 13.00 H new ATOM 0 HB3 HIS A 75 -12.303 -8.810 -10.079 1.00 13.00 H new ATOM 0 HD2 HIS A 75 -13.262 -9.896 -7.114 1.00 33.45 H new ATOM 0 HE1 HIS A 75 -12.451 -5.939 -5.835 1.00 0.01 H new ATOM 0 HE2 HIS A 75 -13.638 -8.111 -5.251 1.00 23.02 H new ATOM 1199 N HIS A 76 -9.300 -10.477 -10.924 1.00 33.14 N ATOM 1200 CA HIS A 76 -8.715 -10.998 -12.171 1.00 21.33 C ATOM 1201 C HIS A 76 -8.136 -12.410 -11.975 1.00 42.41 C ATOM 1202 O HIS A 76 -7.551 -12.996 -12.887 1.00 51.23 O ATOM 1203 CB HIS A 76 -7.653 -10.037 -12.716 1.00 24.24 C ATOM 1204 CG HIS A 76 -8.232 -8.737 -13.189 1.00 61.43 C ATOM 1205 ND1 HIS A 76 -8.808 -8.575 -14.432 1.00 44.42 N ATOM 1206 CD2 HIS A 76 -8.341 -7.534 -12.575 1.00 1.11 C ATOM 1207 CE1 HIS A 76 -9.241 -7.338 -14.559 1.00 73.50 C ATOM 1208 NE2 HIS A 76 -8.971 -6.685 -13.447 1.00 13.32 N ATOM 0 H HIS A 76 -8.688 -9.854 -10.397 1.00 33.14 H new ATOM 0 HA HIS A 76 -9.515 -11.073 -12.907 1.00 21.33 H new ATOM 0 HB2 HIS A 76 -6.915 -9.839 -11.938 1.00 24.24 H new ATOM 0 HB3 HIS A 76 -7.126 -10.516 -13.541 1.00 24.24 H new ATOM 0 HD2 HIS A 76 -7.995 -7.289 -11.582 1.00 1.11 H new ATOM 0 HE1 HIS A 76 -9.734 -6.928 -15.428 1.00 73.50 H new ATOM 0 HE2 HIS A 76 -9.195 -5.707 -13.265 1.00 13.32 H new ATOM 1217 N HIS A 77 -8.279 -12.939 -10.761 1.00 22.12 N ATOM 1218 CA HIS A 77 -8.030 -14.358 -10.494 1.00 50.31 C ATOM 1219 C HIS A 77 -9.366 -15.119 -10.421 1.00 2.41 C ATOM 1220 O HIS A 77 -9.405 -16.348 -10.469 1.00 41.42 O ATOM 1221 CB HIS A 77 -7.244 -14.530 -9.188 1.00 73.14 C ATOM 1222 CG HIS A 77 -6.919 -15.959 -8.866 1.00 1.01 C ATOM 1223 ND1 HIS A 77 -7.623 -16.702 -7.946 1.00 32.31 N ATOM 1224 CD2 HIS A 77 -5.962 -16.785 -9.352 1.00 43.52 C ATOM 1225 CE1 HIS A 77 -7.118 -17.914 -7.881 1.00 73.44 C ATOM 1226 NE2 HIS A 77 -6.111 -17.994 -8.724 1.00 53.22 N ATOM 0 H HIS A 77 -8.567 -12.404 -9.942 1.00 22.12 H new ATOM 0 HA HIS A 77 -7.433 -14.769 -11.308 1.00 50.31 H new ATOM 0 HB2 HIS A 77 -6.316 -13.961 -9.254 1.00 73.14 H new ATOM 0 HB3 HIS A 77 -7.821 -14.104 -8.368 1.00 73.14 H new ATOM 0 HD2 HIS A 77 -5.220 -16.537 -10.096 1.00 43.52 H new ATOM 0 HE1 HIS A 77 -7.471 -18.711 -7.243 1.00 73.44 H new ATOM 0 HE2 HIS A 77 -5.535 -18.821 -8.884 1.00 53.22 H new ATOM 1235 N HIS A 78 -10.459 -14.371 -10.290 1.00 3.40 N ATOM 1236 CA HIS A 78 -11.809 -14.943 -10.314 1.00 73.30 C ATOM 1237 C HIS A 78 -12.402 -14.881 -11.733 1.00 74.43 C ATOM 1238 O HIS A 78 -13.248 -15.699 -12.101 1.00 11.02 O ATOM 1239 CB HIS A 78 -12.714 -14.191 -9.326 1.00 3.04 C ATOM 1240 CG HIS A 78 -14.070 -14.809 -9.146 1.00 22.12 C ATOM 1241 ND1 HIS A 78 -15.250 -14.145 -9.406 1.00 64.43 N ATOM 1242 CD2 HIS A 78 -14.429 -16.039 -8.708 1.00 14.02 C ATOM 1243 CE1 HIS A 78 -16.270 -14.938 -9.140 1.00 32.41 C ATOM 1244 NE2 HIS A 78 -15.800 -16.091 -8.716 1.00 40.32 N ATOM 0 H HIS A 78 -10.438 -13.359 -10.165 1.00 3.40 H new ATOM 0 HA HIS A 78 -11.748 -15.990 -10.015 1.00 73.30 H new ATOM 0 HB2 HIS A 78 -12.216 -14.144 -8.357 1.00 3.04 H new ATOM 0 HB3 HIS A 78 -12.837 -13.165 -9.671 1.00 3.04 H new ATOM 0 HD2 HIS A 78 -13.760 -16.832 -8.408 1.00 14.02 H new ATOM 0 HE1 HIS A 78 -17.314 -14.684 -9.251 1.00 32.41 H new ATOM 0 HE2 HIS A 78 -16.364 -16.894 -8.438 1.00 40.32 H new