USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 972 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 51 CYS SG : rot 155:sc= 1.35 USER MOD Set 1.2: A 53 CYS SG : rot 39:sc= 1.03 USER MOD Set 1.3: A 111 CYS SG : rot 133:sc= -1.42 USER MOD Set 1.4: A 113 HIS : no HD1:sc= -0.559 K(o=0.4,f=-5!) USER MOD Single : A 8 HIS : no HD1:sc= -4.67! K(o=-4.7!,f=-1.3) USER MOD Single : A 9 THR OG1 : rot 144:sc= 0.438 USER MOD Single : A 11 GLN : amide:sc= -0.0824 K(o=-0.082,f=-1.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.935 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 23 ASN : amide:sc= -0.0539 K(o=-0.054,f=0.45) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 32 THR OG1 : rot 73:sc= -0.396 USER MOD Single : A 36 GLN : amide:sc= -4.76! C(o=-4.8!,f=-7.2!) USER MOD Single : A 40 CYS SG : rot 180:sc= -2.13! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -32:sc= 0.999 USER MOD Single : A 58 TYR OH : rot 0:sc= -0.106 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -34:sc= -0.679 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 50:sc= -1.47 USER MOD Single : A 71 CYS SG : rot -4:sc= -3.15! USER MOD Single : A 74 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 92:sc= 0.807 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -4.03! C(o=-4!,f=-5.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.06 X(o=-2.1,f=-2) USER MOD Single : A 100 CYS SG : rot -138:sc= 0.929 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc=-0.00499 (180deg=-0.00499) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-1.5) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot -29:sc= -3.46! USER MOD Single : A 136 ASN : amide:sc= -2.58 X(o=-2.6,f=-2.5) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 12.700 -9.262 -2.082 1.00 50.44 N ATOM 65 CA PHE A 6 14.140 -9.417 -2.251 1.00 60.24 C ATOM 66 C PHE A 6 14.901 -8.459 -1.340 1.00 43.45 C ATOM 67 O PHE A 6 14.337 -7.492 -0.827 1.00 43.05 O ATOM 68 CB PHE A 6 14.533 -9.173 -3.710 1.00 20.01 C ATOM 69 CG PHE A 6 13.646 -9.878 -4.696 1.00 22.32 C ATOM 70 CD1 PHE A 6 13.296 -11.205 -4.506 1.00 75.44 C ATOM 71 CD2 PHE A 6 13.163 -9.214 -5.812 1.00 31.33 C ATOM 72 CE1 PHE A 6 12.480 -11.857 -5.413 1.00 4.24 C ATOM 73 CE2 PHE A 6 12.347 -9.861 -6.721 1.00 51.52 C ATOM 74 CZ PHE A 6 12.004 -11.183 -6.521 1.00 24.34 C ATOM 0 HA PHE A 6 14.405 -10.438 -1.977 1.00 60.24 H new ATOM 0 HB2 PHE A 6 14.507 -8.102 -3.911 1.00 20.01 H new ATOM 0 HB3 PHE A 6 15.562 -9.500 -3.860 1.00 20.01 H new ATOM 0 HD1 PHE A 6 13.664 -11.736 -3.641 1.00 75.44 H new ATOM 0 HD2 PHE A 6 13.427 -8.179 -5.974 1.00 31.33 H new ATOM 0 HE1 PHE A 6 12.215 -12.892 -5.255 1.00 4.24 H new ATOM 0 HE2 PHE A 6 11.978 -9.332 -7.587 1.00 51.52 H new ATOM 0 HZ PHE A 6 11.365 -11.689 -7.229 1.00 24.34 H new ATOM 84 N VAL A 7 16.187 -8.734 -1.143 1.00 73.24 N ATOM 85 CA VAL A 7 17.027 -7.897 -0.295 1.00 73.11 C ATOM 86 C VAL A 7 18.425 -7.748 -0.883 1.00 4.30 C ATOM 87 O VAL A 7 19.070 -8.735 -1.238 1.00 23.14 O ATOM 88 CB VAL A 7 17.139 -8.475 1.128 1.00 10.33 C ATOM 89 CG1 VAL A 7 17.816 -7.478 2.057 1.00 33.32 C ATOM 90 CG2 VAL A 7 15.765 -8.860 1.656 1.00 24.42 C ATOM 0 H VAL A 7 16.669 -9.530 -1.560 1.00 73.24 H new ATOM 0 HA VAL A 7 16.551 -6.918 -0.245 1.00 73.11 H new ATOM 0 HB VAL A 7 17.753 -9.375 1.089 1.00 10.33 H new ATOM 0 HG11 VAL A 7 17.887 -7.903 3.058 1.00 33.32 H new ATOM 0 HG12 VAL A 7 18.816 -7.256 1.686 1.00 33.32 H new ATOM 0 HG13 VAL A 7 17.231 -6.559 2.094 1.00 33.32 H new ATOM 0 HG21 VAL A 7 15.863 -9.267 2.663 1.00 24.42 H new ATOM 0 HG22 VAL A 7 15.125 -7.978 1.682 1.00 24.42 H new ATOM 0 HG23 VAL A 7 15.322 -9.611 1.003 1.00 24.42 H new ATOM 100 N HIS A 8 18.890 -6.506 -0.983 1.00 73.23 N ATOM 101 CA HIS A 8 20.214 -6.227 -1.528 1.00 12.14 C ATOM 102 C HIS A 8 21.034 -5.384 -0.556 1.00 30.04 C ATOM 103 O HIS A 8 21.002 -4.154 -0.603 1.00 51.24 O ATOM 104 CB HIS A 8 20.095 -5.506 -2.871 1.00 34.22 C ATOM 105 CG HIS A 8 19.010 -6.050 -3.748 1.00 74.22 C ATOM 106 ND1 HIS A 8 18.227 -5.255 -4.558 1.00 14.32 N ATOM 107 CD2 HIS A 8 18.580 -7.319 -3.941 1.00 60.24 C ATOM 108 CE1 HIS A 8 17.361 -6.011 -5.210 1.00 2.43 C ATOM 109 NE2 HIS A 8 17.555 -7.268 -4.854 1.00 1.31 N ATOM 0 H HIS A 8 18.370 -5.678 -0.694 1.00 73.23 H new ATOM 0 HA HIS A 8 20.725 -7.178 -1.679 1.00 12.14 H new ATOM 0 HB2 HIS A 8 19.909 -4.447 -2.691 1.00 34.22 H new ATOM 0 HB3 HIS A 8 21.047 -5.577 -3.398 1.00 34.22 H new ATOM 0 HD2 HIS A 8 18.970 -8.207 -3.465 1.00 60.24 H new ATOM 0 HE1 HIS A 8 16.621 -5.661 -5.914 1.00 2.43 H new ATOM 0 HE2 HIS A 8 17.029 -8.070 -5.201 1.00 1.31 H new ATOM 117 N THR A 9 21.769 -6.054 0.327 1.00 14.11 N ATOM 118 CA THR A 9 22.595 -5.367 1.311 1.00 24.24 C ATOM 119 C THR A 9 23.904 -4.889 0.693 1.00 52.34 C ATOM 120 O THR A 9 24.094 -4.972 -0.520 1.00 72.22 O ATOM 121 CB THR A 9 22.912 -6.278 2.513 1.00 54.22 C ATOM 122 OG1 THR A 9 23.514 -5.512 3.562 1.00 24.43 O ATOM 123 CG2 THR A 9 23.843 -7.409 2.104 1.00 32.11 C ATOM 0 H THR A 9 21.808 -7.072 0.380 1.00 14.11 H new ATOM 0 HA THR A 9 22.023 -4.506 1.657 1.00 24.24 H new ATOM 0 HB THR A 9 21.977 -6.710 2.870 1.00 54.22 H new ATOM 0 HG1 THR A 9 23.207 -5.848 4.430 1.00 24.43 H new ATOM 0 HG21 THR A 9 24.052 -8.039 2.969 1.00 32.11 H new ATOM 0 HG22 THR A 9 23.369 -8.007 1.326 1.00 32.11 H new ATOM 0 HG23 THR A 9 24.776 -6.993 1.724 1.00 32.11 H new ATOM 131 N GLU A 10 24.803 -4.388 1.534 1.00 31.12 N ATOM 132 CA GLU A 10 26.094 -3.896 1.068 1.00 70.32 C ATOM 133 C GLU A 10 26.529 -4.627 -0.200 1.00 11.45 C ATOM 134 O GLU A 10 26.449 -4.081 -1.300 1.00 30.41 O ATOM 135 CB GLU A 10 27.154 -4.068 2.158 1.00 41.02 C ATOM 136 CG GLU A 10 26.858 -5.205 3.121 1.00 31.12 C ATOM 137 CD GLU A 10 26.103 -4.744 4.353 1.00 71.41 C ATOM 138 OE1 GLU A 10 25.608 -3.598 4.350 1.00 12.21 O ATOM 139 OE2 GLU A 10 26.007 -5.530 5.319 1.00 4.41 O ATOM 0 H GLU A 10 24.661 -4.312 2.541 1.00 31.12 H new ATOM 0 HA GLU A 10 25.989 -2.836 0.838 1.00 70.32 H new ATOM 0 HB2 GLU A 10 28.121 -4.244 1.688 1.00 41.02 H new ATOM 0 HB3 GLU A 10 27.238 -3.139 2.721 1.00 41.02 H new ATOM 0 HG2 GLU A 10 26.275 -5.969 2.607 1.00 31.12 H new ATOM 0 HG3 GLU A 10 27.795 -5.671 3.427 1.00 31.12 H new ATOM 146 N GLN A 11 26.989 -5.862 -0.035 1.00 23.52 N ATOM 147 CA GLN A 11 27.438 -6.667 -1.165 1.00 41.11 C ATOM 148 C GLN A 11 26.866 -8.079 -1.090 1.00 13.51 C ATOM 149 O GLN A 11 27.565 -9.057 -1.351 1.00 11.12 O ATOM 150 CB GLN A 11 28.966 -6.725 -1.202 1.00 42.22 C ATOM 151 CG GLN A 11 29.524 -7.231 -2.523 1.00 10.04 C ATOM 152 CD GLN A 11 30.762 -8.088 -2.343 1.00 51.52 C ATOM 153 OE1 GLN A 11 31.378 -8.092 -1.277 1.00 64.43 O ATOM 154 NE2 GLN A 11 31.133 -8.819 -3.388 1.00 14.23 N ATOM 0 H GLN A 11 27.061 -6.327 0.870 1.00 23.52 H new ATOM 0 HA GLN A 11 27.077 -6.196 -2.079 1.00 41.11 H new ATOM 0 HB2 GLN A 11 29.364 -5.729 -1.007 1.00 42.22 H new ATOM 0 HB3 GLN A 11 29.316 -7.372 -0.398 1.00 42.22 H new ATOM 0 HG2 GLN A 11 28.758 -7.810 -3.039 1.00 10.04 H new ATOM 0 HG3 GLN A 11 29.765 -6.381 -3.161 1.00 10.04 H new ATOM 0 HE21 GLN A 11 30.592 -8.785 -4.252 1.00 14.23 H new ATOM 0 HE22 GLN A 11 31.959 -9.415 -3.326 1.00 14.23 H new ATOM 163 N ALA A 12 25.590 -8.176 -0.731 1.00 53.03 N ATOM 164 CA ALA A 12 24.923 -9.468 -0.623 1.00 40.35 C ATOM 165 C ALA A 12 23.447 -9.356 -0.991 1.00 22.21 C ATOM 166 O ALA A 12 22.680 -8.668 -0.316 1.00 64.23 O ATOM 167 CB ALA A 12 25.078 -10.026 0.784 1.00 51.35 C ATOM 0 H ALA A 12 24.998 -7.376 -0.510 1.00 53.03 H new ATOM 0 HA ALA A 12 25.395 -10.153 -1.327 1.00 40.35 H new ATOM 0 HB1 ALA A 12 24.575 -10.991 0.850 1.00 51.35 H new ATOM 0 HB2 ALA A 12 26.137 -10.152 1.011 1.00 51.35 H new ATOM 0 HB3 ALA A 12 24.633 -9.335 1.500 1.00 51.35 H new ATOM 173 N ILE A 13 23.056 -10.036 -2.064 1.00 4.24 N ATOM 174 CA ILE A 13 21.672 -10.013 -2.520 1.00 2.34 C ATOM 175 C ILE A 13 20.961 -11.319 -2.183 1.00 53.22 C ATOM 176 O ILE A 13 21.175 -12.341 -2.836 1.00 3.33 O ATOM 177 CB ILE A 13 21.583 -9.769 -4.038 1.00 25.03 C ATOM 178 CG1 ILE A 13 21.844 -8.295 -4.356 1.00 31.22 C ATOM 179 CG2 ILE A 13 20.222 -10.198 -4.564 1.00 40.33 C ATOM 180 CD1 ILE A 13 23.256 -7.851 -4.047 1.00 4.21 C ATOM 0 H ILE A 13 23.678 -10.609 -2.633 1.00 4.24 H new ATOM 0 HA ILE A 13 21.182 -9.190 -1.999 1.00 2.34 H new ATOM 0 HB ILE A 13 22.347 -10.368 -4.533 1.00 25.03 H new ATOM 0 HG12 ILE A 13 21.639 -8.118 -5.412 1.00 31.22 H new ATOM 0 HG13 ILE A 13 21.146 -7.680 -3.788 1.00 31.22 H new ATOM 0 HG21 ILE A 13 20.174 -10.019 -5.638 1.00 40.33 H new ATOM 0 HG22 ILE A 13 20.073 -11.259 -4.366 1.00 40.33 H new ATOM 0 HG23 ILE A 13 19.442 -9.623 -4.066 1.00 40.33 H new ATOM 0 HD11 ILE A 13 23.369 -6.796 -4.297 1.00 4.21 H new ATOM 0 HD12 ILE A 13 23.459 -7.996 -2.986 1.00 4.21 H new ATOM 0 HD13 ILE A 13 23.960 -8.440 -4.635 1.00 4.21 H new ATOM 192 N TYR A 14 20.112 -11.278 -1.162 1.00 52.44 N ATOM 193 CA TYR A 14 19.368 -12.458 -0.739 1.00 23.05 C ATOM 194 C TYR A 14 18.089 -12.618 -1.554 1.00 14.43 C ATOM 195 O TYR A 14 17.125 -11.873 -1.372 1.00 42.33 O ATOM 196 CB TYR A 14 19.030 -12.366 0.750 1.00 14.13 C ATOM 197 CG TYR A 14 20.174 -11.865 1.602 1.00 42.33 C ATOM 198 CD1 TYR A 14 21.376 -12.558 1.663 1.00 63.50 C ATOM 199 CD2 TYR A 14 20.054 -10.696 2.344 1.00 35.53 C ATOM 200 CE1 TYR A 14 22.424 -12.105 2.440 1.00 2.52 C ATOM 201 CE2 TYR A 14 21.097 -10.234 3.123 1.00 33.22 C ATOM 202 CZ TYR A 14 22.280 -10.942 3.168 1.00 13.02 C ATOM 203 OH TYR A 14 23.322 -10.486 3.943 1.00 53.35 O ATOM 0 H TYR A 14 19.922 -10.440 -0.612 1.00 52.44 H new ATOM 0 HA TYR A 14 19.996 -13.332 -0.909 1.00 23.05 H new ATOM 0 HB2 TYR A 14 18.175 -11.703 0.879 1.00 14.13 H new ATOM 0 HB3 TYR A 14 18.727 -13.350 1.106 1.00 14.13 H new ATOM 0 HD1 TYR A 14 21.493 -13.468 1.093 1.00 63.50 H new ATOM 0 HD2 TYR A 14 19.129 -10.139 2.311 1.00 35.53 H new ATOM 0 HE1 TYR A 14 23.351 -12.658 2.478 1.00 2.52 H new ATOM 0 HE2 TYR A 14 20.987 -9.324 3.694 1.00 33.22 H new ATOM 0 HH TYR A 14 23.058 -9.655 4.390 1.00 53.35 H new ATOM 213 N LYS A 15 18.086 -13.596 -2.453 1.00 41.31 N ATOM 214 CA LYS A 15 16.926 -13.857 -3.297 1.00 32.24 C ATOM 215 C LYS A 15 16.585 -15.344 -3.308 1.00 4.01 C ATOM 216 O LYS A 15 17.439 -16.188 -3.038 1.00 0.43 O ATOM 217 CB LYS A 15 17.188 -13.372 -4.724 1.00 73.22 C ATOM 218 CG LYS A 15 16.250 -12.264 -5.172 1.00 31.31 C ATOM 219 CD LYS A 15 16.941 -11.297 -6.118 1.00 3.23 C ATOM 220 CE LYS A 15 16.169 -11.141 -7.419 1.00 32.33 C ATOM 221 NZ LYS A 15 16.811 -10.154 -8.330 1.00 74.03 N ATOM 0 H LYS A 15 18.875 -14.222 -2.616 1.00 41.31 H new ATOM 0 HA LYS A 15 16.078 -13.311 -2.885 1.00 32.24 H new ATOM 0 HB2 LYS A 15 18.216 -13.017 -4.795 1.00 73.22 H new ATOM 0 HB3 LYS A 15 17.094 -14.215 -5.408 1.00 73.22 H new ATOM 0 HG2 LYS A 15 15.381 -12.699 -5.666 1.00 31.31 H new ATOM 0 HG3 LYS A 15 15.883 -11.722 -4.300 1.00 31.31 H new ATOM 0 HD2 LYS A 15 17.043 -10.325 -5.636 1.00 3.23 H new ATOM 0 HD3 LYS A 15 17.948 -11.654 -6.332 1.00 3.23 H new ATOM 0 HE2 LYS A 15 16.102 -12.107 -7.919 1.00 32.33 H new ATOM 0 HE3 LYS A 15 15.149 -10.824 -7.200 1.00 32.33 H new ATOM 0 HZ1 LYS A 15 16.255 -10.076 -9.205 1.00 74.03 H new ATOM 0 HZ2 LYS A 15 16.852 -9.226 -7.863 1.00 74.03 H new ATOM 0 HZ3 LYS A 15 17.775 -10.469 -8.559 1.00 74.03 H new ATOM 235 N ASN A 16 15.333 -15.657 -3.624 1.00 30.32 N ATOM 236 CA ASN A 16 14.881 -17.043 -3.671 1.00 55.12 C ATOM 237 C ASN A 16 15.650 -17.830 -4.728 1.00 33.55 C ATOM 238 O ASN A 16 15.585 -17.521 -5.917 1.00 1.43 O ATOM 239 CB ASN A 16 13.381 -17.102 -3.967 1.00 55.40 C ATOM 240 CG ASN A 16 12.537 -16.898 -2.723 1.00 25.10 C ATOM 241 OD1 ASN A 16 12.266 -15.766 -2.322 1.00 75.32 O ATOM 242 ND2 ASN A 16 12.120 -17.997 -2.105 1.00 53.04 N ATOM 0 H ASN A 16 14.614 -14.970 -3.851 1.00 30.32 H new ATOM 0 HA ASN A 16 15.071 -17.494 -2.697 1.00 55.12 H new ATOM 0 HB2 ASN A 16 13.129 -16.339 -4.703 1.00 55.40 H new ATOM 0 HB3 ASN A 16 13.139 -18.067 -4.413 1.00 55.40 H new ATOM 0 HD21 ASN A 16 11.551 -17.923 -1.262 1.00 53.04 H new ATOM 0 HD22 ASN A 16 12.369 -18.915 -2.473 1.00 53.04 H new ATOM 249 N ALA A 17 16.377 -18.851 -4.284 1.00 53.22 N ATOM 250 CA ALA A 17 17.156 -19.685 -5.191 1.00 0.41 C ATOM 251 C ALA A 17 16.256 -20.380 -6.207 1.00 25.10 C ATOM 252 O ALA A 17 16.643 -20.580 -7.359 1.00 51.01 O ATOM 253 CB ALA A 17 17.960 -20.710 -4.405 1.00 71.24 C ATOM 0 H ALA A 17 16.442 -19.120 -3.302 1.00 53.22 H new ATOM 0 HA ALA A 17 17.845 -19.041 -5.737 1.00 0.41 H new ATOM 0 HB1 ALA A 17 18.537 -21.326 -5.095 1.00 71.24 H new ATOM 0 HB2 ALA A 17 18.638 -20.196 -3.724 1.00 71.24 H new ATOM 0 HB3 ALA A 17 17.282 -21.343 -3.833 1.00 71.24 H new ATOM 259 N HIS A 18 15.055 -20.748 -5.773 1.00 0.21 N ATOM 260 CA HIS A 18 14.100 -21.422 -6.646 1.00 2.24 C ATOM 261 C HIS A 18 13.463 -20.435 -7.619 1.00 45.33 C ATOM 262 O HIS A 18 12.799 -20.832 -8.577 1.00 72.51 O ATOM 263 CB HIS A 18 13.015 -22.109 -5.816 1.00 5.14 C ATOM 264 CG HIS A 18 12.007 -22.846 -6.641 1.00 75.22 C ATOM 265 ND1 HIS A 18 12.281 -24.038 -7.278 1.00 44.23 N ATOM 266 CD2 HIS A 18 10.717 -22.555 -6.931 1.00 33.21 C ATOM 267 CE1 HIS A 18 11.205 -24.447 -7.926 1.00 31.05 C ATOM 268 NE2 HIS A 18 10.241 -23.565 -7.730 1.00 61.24 N ATOM 0 H HIS A 18 14.720 -20.591 -4.823 1.00 0.21 H new ATOM 0 HA HIS A 18 14.639 -22.175 -7.220 1.00 2.24 H new ATOM 0 HB2 HIS A 18 13.486 -22.807 -5.124 1.00 5.14 H new ATOM 0 HB3 HIS A 18 12.501 -21.360 -5.213 1.00 5.14 H new ATOM 0 HD2 HIS A 18 10.165 -21.689 -6.596 1.00 33.21 H new ATOM 0 HE1 HIS A 18 11.127 -25.349 -8.515 1.00 31.05 H new ATOM 0 HE2 HIS A 18 9.297 -23.625 -8.110 1.00 61.24 H new ATOM 276 N LEU A 19 13.670 -19.147 -7.368 1.00 41.30 N ATOM 277 CA LEU A 19 13.116 -18.102 -8.222 1.00 73.11 C ATOM 278 C LEU A 19 14.226 -17.328 -8.927 1.00 34.55 C ATOM 279 O LEU A 19 13.962 -16.407 -9.700 1.00 14.14 O ATOM 280 CB LEU A 19 12.255 -17.144 -7.396 1.00 45.13 C ATOM 281 CG LEU A 19 10.831 -16.915 -7.903 1.00 11.13 C ATOM 282 CD1 LEU A 19 9.876 -16.713 -6.736 1.00 72.45 C ATOM 283 CD2 LEU A 19 10.785 -15.720 -8.844 1.00 62.44 C ATOM 0 H LEU A 19 14.217 -18.801 -6.580 1.00 41.30 H new ATOM 0 HA LEU A 19 12.494 -18.578 -8.980 1.00 73.11 H new ATOM 0 HB2 LEU A 19 12.199 -17.525 -6.376 1.00 45.13 H new ATOM 0 HB3 LEU A 19 12.762 -16.180 -7.349 1.00 45.13 H new ATOM 0 HG LEU A 19 10.516 -17.800 -8.456 1.00 11.13 H new ATOM 0 HD11 LEU A 19 8.867 -16.551 -7.115 1.00 72.45 H new ATOM 0 HD12 LEU A 19 9.887 -17.598 -6.100 1.00 72.45 H new ATOM 0 HD13 LEU A 19 10.189 -15.845 -6.156 1.00 72.45 H new ATOM 0 HD21 LEU A 19 9.764 -15.572 -9.195 1.00 62.44 H new ATOM 0 HD22 LEU A 19 11.120 -14.828 -8.315 1.00 62.44 H new ATOM 0 HD23 LEU A 19 11.439 -15.903 -9.697 1.00 62.44 H new ATOM 295 N THR A 20 15.470 -17.711 -8.656 1.00 10.50 N ATOM 296 CA THR A 20 16.620 -17.054 -9.264 1.00 63.11 C ATOM 297 C THR A 20 17.758 -18.042 -9.497 1.00 34.10 C ATOM 298 O THR A 20 18.929 -17.663 -9.522 1.00 51.45 O ATOM 299 CB THR A 20 17.134 -15.895 -8.389 1.00 35.23 C ATOM 300 OG1 THR A 20 17.812 -16.413 -7.239 1.00 15.04 O ATOM 301 CG2 THR A 20 15.985 -15.001 -7.947 1.00 32.23 C ATOM 0 H THR A 20 15.706 -18.472 -8.020 1.00 10.50 H new ATOM 0 HA THR A 20 16.285 -16.655 -10.222 1.00 63.11 H new ATOM 0 HB THR A 20 17.829 -15.301 -8.982 1.00 35.23 H new ATOM 0 HG1 THR A 20 17.165 -16.848 -6.646 1.00 15.04 H new ATOM 0 HG21 THR A 20 16.372 -14.190 -7.330 1.00 32.23 H new ATOM 0 HG22 THR A 20 15.489 -14.585 -8.824 1.00 32.23 H new ATOM 0 HG23 THR A 20 15.270 -15.587 -7.369 1.00 32.23 H new ATOM 309 N THR A 21 17.406 -19.313 -9.667 1.00 51.15 N ATOM 310 CA THR A 21 18.397 -20.356 -9.898 1.00 43.00 C ATOM 311 C THR A 21 19.293 -20.011 -11.083 1.00 34.43 C ATOM 312 O THR A 21 20.509 -19.876 -10.953 1.00 44.34 O ATOM 313 CB THR A 21 17.729 -21.720 -10.154 1.00 13.21 C ATOM 314 OG1 THR A 21 16.308 -21.561 -10.240 1.00 42.41 O ATOM 315 CG2 THR A 21 18.067 -22.705 -9.045 1.00 63.04 C ATOM 0 H THR A 21 16.441 -19.644 -9.649 1.00 51.15 H new ATOM 0 HA THR A 21 19.003 -20.421 -8.994 1.00 43.00 H new ATOM 0 HB THR A 21 18.108 -22.114 -11.097 1.00 13.21 H new ATOM 0 HG1 THR A 21 15.891 -22.432 -10.404 1.00 42.41 H new ATOM 0 HG21 THR A 21 17.584 -23.661 -9.248 1.00 63.04 H new ATOM 0 HG22 THR A 21 19.147 -22.846 -9.000 1.00 63.04 H new ATOM 0 HG23 THR A 21 17.713 -22.315 -8.091 1.00 63.04 H new ATOM 323 N PRO A 22 18.679 -19.865 -12.266 1.00 71.34 N ATOM 324 CA PRO A 22 19.402 -19.533 -13.497 1.00 62.14 C ATOM 325 C PRO A 22 19.937 -18.105 -13.488 1.00 63.30 C ATOM 326 O PRO A 22 19.175 -17.146 -13.600 1.00 62.25 O ATOM 327 CB PRO A 22 18.341 -19.699 -14.588 1.00 61.31 C ATOM 328 CG PRO A 22 17.043 -19.485 -13.889 1.00 51.15 C ATOM 329 CD PRO A 22 17.231 -20.013 -12.494 1.00 45.51 C ATOM 0 HA PRO A 22 20.279 -20.165 -13.637 1.00 62.14 H new ATOM 0 HB2 PRO A 22 18.482 -18.976 -15.391 1.00 61.31 H new ATOM 0 HB3 PRO A 22 18.389 -20.690 -15.040 1.00 61.31 H new ATOM 0 HG2 PRO A 22 16.778 -18.428 -13.874 1.00 51.15 H new ATOM 0 HG3 PRO A 22 16.234 -20.009 -14.399 1.00 51.15 H new ATOM 0 HD2 PRO A 22 16.650 -19.445 -11.768 1.00 45.51 H new ATOM 0 HD3 PRO A 22 16.915 -21.053 -12.412 1.00 45.51 H new ATOM 337 N ASN A 23 21.253 -17.972 -13.354 1.00 31.25 N ATOM 338 CA ASN A 23 21.890 -16.660 -13.329 1.00 71.45 C ATOM 339 C ASN A 23 23.403 -16.793 -13.184 1.00 12.12 C ATOM 340 O ASN A 23 23.892 -17.588 -12.381 1.00 1.41 O ATOM 341 CB ASN A 23 21.328 -15.818 -12.182 1.00 74.34 C ATOM 342 CG ASN A 23 20.699 -14.526 -12.668 1.00 31.52 C ATOM 343 OD1 ASN A 23 19.948 -14.517 -13.643 1.00 52.22 O ATOM 344 ND2 ASN A 23 21.004 -13.428 -11.987 1.00 43.22 N ATOM 0 H ASN A 23 21.899 -18.756 -13.261 1.00 31.25 H new ATOM 0 HA ASN A 23 21.676 -16.162 -14.274 1.00 71.45 H new ATOM 0 HB2 ASN A 23 20.583 -16.400 -11.639 1.00 74.34 H new ATOM 0 HB3 ASN A 23 22.128 -15.587 -11.478 1.00 74.34 H new ATOM 0 HD21 ASN A 23 20.611 -12.529 -12.266 1.00 43.22 H new ATOM 0 HD22 ASN A 23 21.631 -13.483 -11.185 1.00 43.22 H new ATOM 351 N ASP A 24 24.138 -16.009 -13.965 1.00 34.01 N ATOM 352 CA ASP A 24 25.595 -16.037 -13.922 1.00 50.12 C ATOM 353 C ASP A 24 26.131 -14.976 -12.966 1.00 20.45 C ATOM 354 O ASP A 24 27.234 -14.462 -13.150 1.00 33.12 O ATOM 355 CB ASP A 24 26.172 -15.817 -15.322 1.00 32.43 C ATOM 356 CG ASP A 24 25.318 -16.446 -16.405 1.00 74.00 C ATOM 357 OD1 ASP A 24 25.314 -17.690 -16.510 1.00 63.21 O ATOM 358 OD2 ASP A 24 24.653 -15.694 -17.148 1.00 41.34 O ATOM 0 H ASP A 24 23.749 -15.346 -14.635 1.00 34.01 H new ATOM 0 HA ASP A 24 25.904 -17.017 -13.559 1.00 50.12 H new ATOM 0 HB2 ASP A 24 26.263 -14.747 -15.510 1.00 32.43 H new ATOM 0 HB3 ASP A 24 27.178 -16.235 -15.367 1.00 32.43 H new ATOM 363 N GLN A 25 25.343 -14.654 -11.945 1.00 75.42 N ATOM 364 CA GLN A 25 25.738 -13.654 -10.961 1.00 52.31 C ATOM 365 C GLN A 25 25.815 -14.264 -9.565 1.00 42.44 C ATOM 366 O GLN A 25 26.586 -13.809 -8.719 1.00 71.50 O ATOM 367 CB GLN A 25 24.751 -12.485 -10.966 1.00 33.20 C ATOM 368 CG GLN A 25 24.379 -12.008 -12.361 1.00 25.22 C ATOM 369 CD GLN A 25 23.998 -10.541 -12.394 1.00 33.44 C ATOM 370 OE1 GLN A 25 23.185 -10.081 -11.591 1.00 23.43 O ATOM 371 NE2 GLN A 25 24.583 -9.798 -13.325 1.00 2.32 N ATOM 0 H GLN A 25 24.427 -15.071 -11.778 1.00 75.42 H new ATOM 0 HA GLN A 25 26.728 -13.286 -11.232 1.00 52.31 H new ATOM 0 HB2 GLN A 25 23.845 -12.784 -10.440 1.00 33.20 H new ATOM 0 HB3 GLN A 25 25.183 -11.653 -10.410 1.00 33.20 H new ATOM 0 HG2 GLN A 25 25.219 -12.176 -13.035 1.00 25.22 H new ATOM 0 HG3 GLN A 25 23.547 -12.604 -12.735 1.00 25.22 H new ATOM 0 HE21 GLN A 25 25.251 -10.221 -13.970 1.00 2.32 H new ATOM 0 HE22 GLN A 25 24.365 -8.804 -13.396 1.00 2.32 H new ATOM 380 N THR A 26 25.011 -15.296 -9.331 1.00 0.15 N ATOM 381 CA THR A 26 24.987 -15.967 -8.037 1.00 61.32 C ATOM 382 C THR A 26 26.393 -16.349 -7.590 1.00 5.45 C ATOM 383 O THR A 26 27.230 -16.739 -8.405 1.00 11.33 O ATOM 384 CB THR A 26 24.112 -17.235 -8.078 1.00 45.33 C ATOM 385 OG1 THR A 26 24.322 -17.935 -9.310 1.00 13.42 O ATOM 386 CG2 THR A 26 22.640 -16.881 -7.934 1.00 50.10 C ATOM 0 H THR A 26 24.368 -15.685 -10.020 1.00 0.15 H new ATOM 0 HA THR A 26 24.560 -15.262 -7.323 1.00 61.32 H new ATOM 0 HB THR A 26 24.398 -17.875 -7.244 1.00 45.33 H new ATOM 0 HG1 THR A 26 23.764 -18.740 -9.328 1.00 13.42 H new ATOM 0 HG21 THR A 26 22.042 -17.792 -7.966 1.00 50.10 H new ATOM 0 HG22 THR A 26 22.479 -16.374 -6.982 1.00 50.10 H new ATOM 0 HG23 THR A 26 22.342 -16.223 -8.750 1.00 50.10 H new ATOM 394 N ILE A 27 26.647 -16.234 -6.290 1.00 42.13 N ATOM 395 CA ILE A 27 27.953 -16.569 -5.735 1.00 14.30 C ATOM 396 C ILE A 27 27.885 -17.843 -4.901 1.00 34.42 C ATOM 397 O ILE A 27 28.692 -18.757 -5.076 1.00 74.35 O ATOM 398 CB ILE A 27 28.503 -15.426 -4.861 1.00 53.35 C ATOM 399 CG1 ILE A 27 28.726 -14.170 -5.707 1.00 60.43 C ATOM 400 CG2 ILE A 27 29.797 -15.852 -4.185 1.00 32.13 C ATOM 401 CD1 ILE A 27 27.787 -13.035 -5.363 1.00 61.35 C ATOM 0 H ILE A 27 25.966 -15.912 -5.602 1.00 42.13 H new ATOM 0 HA ILE A 27 28.624 -16.725 -6.579 1.00 14.30 H new ATOM 0 HB ILE A 27 27.771 -15.195 -4.087 1.00 53.35 H new ATOM 0 HG12 ILE A 27 29.754 -13.832 -5.577 1.00 60.43 H new ATOM 0 HG13 ILE A 27 28.605 -14.425 -6.760 1.00 60.43 H new ATOM 0 HG21 ILE A 27 30.173 -15.034 -3.571 1.00 32.13 H new ATOM 0 HG22 ILE A 27 29.609 -16.722 -3.555 1.00 32.13 H new ATOM 0 HG23 ILE A 27 30.537 -16.106 -4.944 1.00 32.13 H new ATOM 0 HD11 ILE A 27 28.002 -12.178 -6.002 1.00 61.35 H new ATOM 0 HD12 ILE A 27 26.757 -13.355 -5.520 1.00 61.35 H new ATOM 0 HD13 ILE A 27 27.924 -12.753 -4.319 1.00 61.35 H new ATOM 413 N LEU A 28 26.916 -17.899 -3.994 1.00 32.13 N ATOM 414 CA LEU A 28 26.740 -19.063 -3.132 1.00 61.34 C ATOM 415 C LEU A 28 25.273 -19.245 -2.755 1.00 64.32 C ATOM 416 O LEU A 28 24.477 -18.310 -2.846 1.00 2.21 O ATOM 417 CB LEU A 28 27.590 -18.920 -1.868 1.00 75.13 C ATOM 418 CG LEU A 28 27.667 -20.154 -0.969 1.00 5.14 C ATOM 419 CD1 LEU A 28 29.073 -20.321 -0.413 1.00 21.32 C ATOM 420 CD2 LEU A 28 26.653 -20.055 0.162 1.00 44.24 C ATOM 0 H LEU A 28 26.240 -17.152 -3.836 1.00 32.13 H new ATOM 0 HA LEU A 28 27.066 -19.945 -3.683 1.00 61.34 H new ATOM 0 HB2 LEU A 28 28.603 -18.647 -2.164 1.00 75.13 H new ATOM 0 HB3 LEU A 28 27.195 -18.091 -1.281 1.00 75.13 H new ATOM 0 HG LEU A 28 27.428 -21.032 -1.568 1.00 5.14 H new ATOM 0 HD11 LEU A 28 29.110 -21.204 0.225 1.00 21.32 H new ATOM 0 HD12 LEU A 28 29.778 -20.438 -1.236 1.00 21.32 H new ATOM 0 HD13 LEU A 28 29.340 -19.440 0.171 1.00 21.32 H new ATOM 0 HD21 LEU A 28 26.722 -20.942 0.792 1.00 44.24 H new ATOM 0 HD22 LEU A 28 26.861 -19.168 0.761 1.00 44.24 H new ATOM 0 HD23 LEU A 28 25.648 -19.984 -0.255 1.00 44.24 H new ATOM 432 N LEU A 29 24.923 -20.454 -2.330 1.00 71.10 N ATOM 433 CA LEU A 29 23.552 -20.759 -1.936 1.00 53.21 C ATOM 434 C LEU A 29 23.524 -21.807 -0.829 1.00 35.33 C ATOM 435 O LEU A 29 24.383 -22.686 -0.770 1.00 71.24 O ATOM 436 CB LEU A 29 22.752 -21.253 -3.143 1.00 34.15 C ATOM 437 CG LEU A 29 23.366 -22.414 -3.926 1.00 1.15 C ATOM 438 CD1 LEU A 29 22.280 -23.232 -4.607 1.00 44.02 C ATOM 439 CD2 LEU A 29 24.368 -21.897 -4.948 1.00 12.33 C ATOM 0 H LEU A 29 25.569 -21.239 -2.249 1.00 71.10 H new ATOM 0 HA LEU A 29 23.097 -19.844 -1.556 1.00 53.21 H new ATOM 0 HB2 LEU A 29 21.763 -21.556 -2.799 1.00 34.15 H new ATOM 0 HB3 LEU A 29 22.609 -20.416 -3.826 1.00 34.15 H new ATOM 0 HG LEU A 29 23.894 -23.061 -3.225 1.00 1.15 H new ATOM 0 HD11 LEU A 29 22.736 -24.054 -5.159 1.00 44.02 H new ATOM 0 HD12 LEU A 29 21.601 -23.633 -3.855 1.00 44.02 H new ATOM 0 HD13 LEU A 29 21.724 -22.596 -5.296 1.00 44.02 H new ATOM 0 HD21 LEU A 29 24.795 -22.737 -5.496 1.00 12.33 H new ATOM 0 HD22 LEU A 29 23.864 -21.227 -5.645 1.00 12.33 H new ATOM 0 HD23 LEU A 29 25.164 -21.356 -4.436 1.00 12.33 H new ATOM 451 N ALA A 30 22.529 -21.709 0.047 1.00 54.01 N ATOM 452 CA ALA A 30 22.386 -22.651 1.150 1.00 72.21 C ATOM 453 C ALA A 30 21.138 -23.511 0.980 1.00 52.24 C ATOM 454 O ALA A 30 20.019 -23.054 1.221 1.00 64.45 O ATOM 455 CB ALA A 30 22.340 -21.908 2.477 1.00 52.44 C ATOM 0 H ALA A 30 21.810 -20.986 0.014 1.00 54.01 H new ATOM 0 HA ALA A 30 23.254 -23.311 1.145 1.00 72.21 H new ATOM 0 HB1 ALA A 30 22.233 -22.624 3.292 1.00 52.44 H new ATOM 0 HB2 ALA A 30 23.263 -21.343 2.610 1.00 52.44 H new ATOM 0 HB3 ALA A 30 21.491 -21.224 2.482 1.00 52.44 H new ATOM 461 N LEU A 31 21.336 -24.756 0.562 1.00 33.34 N ATOM 462 CA LEU A 31 20.225 -25.681 0.359 1.00 44.51 C ATOM 463 C LEU A 31 19.413 -25.846 1.639 1.00 12.22 C ATOM 464 O LEU A 31 18.237 -26.209 1.599 1.00 32.21 O ATOM 465 CB LEU A 31 20.747 -27.041 -0.107 1.00 3.04 C ATOM 466 CG LEU A 31 20.856 -27.236 -1.619 1.00 63.23 C ATOM 467 CD1 LEU A 31 21.912 -26.310 -2.202 1.00 51.33 C ATOM 468 CD2 LEU A 31 21.177 -28.687 -1.948 1.00 42.00 C ATOM 0 H LEU A 31 22.255 -25.149 0.357 1.00 33.34 H new ATOM 0 HA LEU A 31 19.574 -25.266 -0.410 1.00 44.51 H new ATOM 0 HB2 LEU A 31 21.732 -27.199 0.331 1.00 3.04 H new ATOM 0 HB3 LEU A 31 20.092 -27.815 0.293 1.00 3.04 H new ATOM 0 HG LEU A 31 19.895 -26.986 -2.068 1.00 63.23 H new ATOM 0 HD11 LEU A 31 21.975 -26.463 -3.279 1.00 51.33 H new ATOM 0 HD12 LEU A 31 21.640 -25.274 -1.998 1.00 51.33 H new ATOM 0 HD13 LEU A 31 22.878 -26.528 -1.747 1.00 51.33 H new ATOM 0 HD21 LEU A 31 21.251 -28.807 -3.029 1.00 42.00 H new ATOM 0 HD22 LEU A 31 22.125 -28.964 -1.486 1.00 42.00 H new ATOM 0 HD23 LEU A 31 20.385 -29.331 -1.565 1.00 42.00 H new ATOM 480 N THR A 32 20.047 -25.574 2.776 1.00 71.32 N ATOM 481 CA THR A 32 19.383 -25.692 4.068 1.00 43.30 C ATOM 482 C THR A 32 18.064 -24.928 4.080 1.00 3.31 C ATOM 483 O THR A 32 17.119 -25.314 4.766 1.00 34.31 O ATOM 484 CB THR A 32 20.277 -25.168 5.208 1.00 21.21 C ATOM 485 OG1 THR A 32 21.149 -24.144 4.716 1.00 21.43 O ATOM 486 CG2 THR A 32 21.101 -26.296 5.811 1.00 34.15 C ATOM 0 H THR A 32 21.019 -25.271 2.828 1.00 71.32 H new ATOM 0 HA THR A 32 19.187 -26.752 4.227 1.00 43.30 H new ATOM 0 HB THR A 32 19.633 -24.754 5.984 1.00 21.21 H new ATOM 0 HG1 THR A 32 20.634 -23.327 4.551 1.00 21.43 H new ATOM 0 HG21 THR A 32 21.724 -25.902 6.614 1.00 34.15 H new ATOM 0 HG22 THR A 32 20.434 -27.060 6.211 1.00 34.15 H new ATOM 0 HG23 THR A 32 21.735 -26.735 5.041 1.00 34.15 H new ATOM 494 N ALA A 33 18.008 -23.842 3.316 1.00 13.31 N ATOM 495 CA ALA A 33 16.803 -23.025 3.237 1.00 31.12 C ATOM 496 C ALA A 33 16.493 -22.641 1.794 1.00 25.22 C ATOM 497 O ALA A 33 15.611 -21.823 1.535 1.00 0.32 O ATOM 498 CB ALA A 33 16.953 -21.778 4.096 1.00 21.55 C ATOM 0 H ALA A 33 18.783 -23.508 2.743 1.00 13.31 H new ATOM 0 HA ALA A 33 15.969 -23.616 3.616 1.00 31.12 H new ATOM 0 HB1 ALA A 33 16.046 -21.178 4.027 1.00 21.55 H new ATOM 0 HB2 ALA A 33 17.118 -22.069 5.133 1.00 21.55 H new ATOM 0 HB3 ALA A 33 17.803 -21.193 3.743 1.00 21.55 H new ATOM 504 N ASP A 34 17.225 -23.236 0.859 1.00 62.42 N ATOM 505 CA ASP A 34 17.028 -22.957 -0.559 1.00 4.21 C ATOM 506 C ASP A 34 17.060 -21.455 -0.826 1.00 62.21 C ATOM 507 O ASP A 34 16.016 -20.814 -0.952 1.00 41.04 O ATOM 508 CB ASP A 34 15.700 -23.544 -1.037 1.00 33.42 C ATOM 509 CG ASP A 34 15.380 -24.869 -0.372 1.00 51.11 C ATOM 510 OD1 ASP A 34 15.989 -25.888 -0.758 1.00 24.12 O ATOM 511 OD2 ASP A 34 14.520 -24.886 0.533 1.00 34.42 O ATOM 0 H ASP A 34 17.960 -23.915 1.057 1.00 62.42 H new ATOM 0 HA ASP A 34 17.842 -23.424 -1.113 1.00 4.21 H new ATOM 0 HB2 ASP A 34 14.898 -22.835 -0.832 1.00 33.42 H new ATOM 0 HB3 ASP A 34 15.735 -23.682 -2.118 1.00 33.42 H new ATOM 516 N LEU A 35 18.264 -20.900 -0.910 1.00 40.10 N ATOM 517 CA LEU A 35 18.432 -19.473 -1.161 1.00 45.33 C ATOM 518 C LEU A 35 19.799 -19.185 -1.775 1.00 21.43 C ATOM 519 O LEU A 35 20.790 -19.831 -1.435 1.00 21.12 O ATOM 520 CB LEU A 35 18.268 -18.683 0.138 1.00 31.15 C ATOM 521 CG LEU A 35 17.878 -17.213 -0.014 1.00 51.53 C ATOM 522 CD1 LEU A 35 17.240 -16.694 1.265 1.00 0.20 C ATOM 523 CD2 LEU A 35 19.093 -16.374 -0.385 1.00 33.33 C ATOM 0 H LEU A 35 19.138 -21.416 -0.808 1.00 40.10 H new ATOM 0 HA LEU A 35 17.663 -19.161 -1.868 1.00 45.33 H new ATOM 0 HB2 LEU A 35 17.511 -19.178 0.747 1.00 31.15 H new ATOM 0 HB3 LEU A 35 19.206 -18.734 0.691 1.00 31.15 H new ATOM 0 HG LEU A 35 17.147 -17.133 -0.818 1.00 51.53 H new ATOM 0 HD11 LEU A 35 16.969 -15.646 1.137 1.00 0.20 H new ATOM 0 HD12 LEU A 35 16.345 -17.275 1.487 1.00 0.20 H new ATOM 0 HD13 LEU A 35 17.948 -16.788 2.089 1.00 0.20 H new ATOM 0 HD21 LEU A 35 18.796 -15.330 -0.489 1.00 33.33 H new ATOM 0 HD22 LEU A 35 19.847 -16.461 0.397 1.00 33.33 H new ATOM 0 HD23 LEU A 35 19.506 -16.730 -1.329 1.00 33.33 H new ATOM 535 N GLN A 36 19.844 -18.211 -2.678 1.00 34.40 N ATOM 536 CA GLN A 36 21.089 -17.838 -3.337 1.00 45.11 C ATOM 537 C GLN A 36 21.483 -16.407 -2.987 1.00 11.33 C ATOM 538 O GLN A 36 20.623 -15.553 -2.766 1.00 24.15 O ATOM 539 CB GLN A 36 20.953 -17.985 -4.854 1.00 33.15 C ATOM 540 CG GLN A 36 20.746 -19.421 -5.309 1.00 43.43 C ATOM 541 CD GLN A 36 21.819 -19.886 -6.274 1.00 74.45 C ATOM 542 OE1 GLN A 36 23.003 -19.607 -6.087 1.00 10.32 O ATOM 543 NE2 GLN A 36 21.408 -20.602 -7.315 1.00 43.33 N ATOM 0 H GLN A 36 19.033 -17.666 -2.970 1.00 34.40 H new ATOM 0 HA GLN A 36 21.872 -18.508 -2.983 1.00 45.11 H new ATOM 0 HB2 GLN A 36 20.113 -17.380 -5.196 1.00 33.15 H new ATOM 0 HB3 GLN A 36 21.848 -17.587 -5.331 1.00 33.15 H new ATOM 0 HG2 GLN A 36 20.737 -20.077 -4.438 1.00 43.43 H new ATOM 0 HG3 GLN A 36 19.770 -19.510 -5.786 1.00 43.43 H new ATOM 0 HE21 GLN A 36 20.416 -20.810 -7.431 1.00 43.33 H new ATOM 0 HE22 GLN A 36 22.084 -20.944 -7.998 1.00 43.33 H new ATOM 552 N ILE A 37 22.786 -16.152 -2.938 1.00 0.23 N ATOM 553 CA ILE A 37 23.292 -14.824 -2.615 1.00 5.32 C ATOM 554 C ILE A 37 24.094 -14.244 -3.775 1.00 40.13 C ATOM 555 O ILE A 37 24.948 -14.918 -4.352 1.00 34.32 O ATOM 556 CB ILE A 37 24.179 -14.850 -1.356 1.00 20.02 C ATOM 557 CG1 ILE A 37 23.394 -15.402 -0.164 1.00 60.21 C ATOM 558 CG2 ILE A 37 24.706 -13.456 -1.050 1.00 11.02 C ATOM 559 CD1 ILE A 37 23.574 -16.890 0.041 1.00 61.01 C ATOM 0 H ILE A 37 23.510 -16.847 -3.118 1.00 0.23 H new ATOM 0 HA ILE A 37 22.423 -14.194 -2.425 1.00 5.32 H new ATOM 0 HB ILE A 37 25.030 -15.506 -1.542 1.00 20.02 H new ATOM 0 HG12 ILE A 37 23.706 -14.879 0.740 1.00 60.21 H new ATOM 0 HG13 ILE A 37 22.335 -15.189 -0.307 1.00 60.21 H new ATOM 0 HG21 ILE A 37 25.331 -13.491 -0.158 1.00 11.02 H new ATOM 0 HG22 ILE A 37 25.297 -13.097 -1.893 1.00 11.02 H new ATOM 0 HG23 ILE A 37 23.868 -12.780 -0.880 1.00 11.02 H new ATOM 0 HD11 ILE A 37 22.989 -17.212 0.903 1.00 61.01 H new ATOM 0 HD12 ILE A 37 23.235 -17.423 -0.847 1.00 61.01 H new ATOM 0 HD13 ILE A 37 24.628 -17.108 0.216 1.00 61.01 H new ATOM 571 N ASP A 38 23.815 -12.990 -4.112 1.00 13.55 N ATOM 572 CA ASP A 38 24.512 -12.317 -5.202 1.00 13.24 C ATOM 573 C ASP A 38 25.293 -11.112 -4.686 1.00 35.11 C ATOM 574 O ASP A 38 25.260 -10.802 -3.496 1.00 2.31 O ATOM 575 CB ASP A 38 23.516 -11.874 -6.275 1.00 44.41 C ATOM 576 CG ASP A 38 23.937 -12.303 -7.667 1.00 33.20 C ATOM 577 OD1 ASP A 38 24.981 -11.816 -8.148 1.00 53.40 O ATOM 578 OD2 ASP A 38 23.221 -13.126 -8.276 1.00 21.44 O ATOM 0 H ASP A 38 23.111 -12.418 -3.646 1.00 13.55 H new ATOM 0 HA ASP A 38 25.217 -13.023 -5.641 1.00 13.24 H new ATOM 0 HB2 ASP A 38 22.535 -12.292 -6.050 1.00 44.41 H new ATOM 0 HB3 ASP A 38 23.415 -10.789 -6.247 1.00 44.41 H new ATOM 583 N GLY A 39 25.995 -10.437 -5.591 1.00 2.04 N ATOM 584 CA GLY A 39 26.776 -9.275 -5.208 1.00 14.14 C ATOM 585 C GLY A 39 26.399 -8.038 -5.998 1.00 45.35 C ATOM 586 O GLY A 39 25.658 -8.121 -6.979 1.00 4.23 O ATOM 0 H GLY A 39 26.037 -10.674 -6.582 1.00 2.04 H new ATOM 0 HA2 GLY A 39 26.635 -9.080 -4.145 1.00 14.14 H new ATOM 0 HA3 GLY A 39 27.835 -9.488 -5.355 1.00 14.14 H new ATOM 590 N CYS A 40 26.909 -6.888 -5.572 1.00 41.51 N ATOM 591 CA CYS A 40 26.620 -5.627 -6.246 1.00 42.41 C ATOM 592 C CYS A 40 27.495 -4.504 -5.698 1.00 23.11 C ATOM 593 O CYS A 40 28.257 -4.703 -4.752 1.00 22.24 O ATOM 594 CB CYS A 40 25.143 -5.264 -6.083 1.00 64.15 C ATOM 595 SG CYS A 40 24.700 -4.699 -4.424 1.00 23.20 S ATOM 0 H CYS A 40 27.525 -6.802 -4.763 1.00 41.51 H new ATOM 0 HA CYS A 40 26.841 -5.752 -7.306 1.00 42.41 H new ATOM 0 HB2 CYS A 40 24.891 -4.483 -6.800 1.00 64.15 H new ATOM 0 HB3 CYS A 40 24.536 -6.134 -6.333 1.00 64.15 H new ATOM 0 HG CYS A 40 23.432 -4.414 -4.387 1.00 23.20 H new ATOM 601 N ASP A 41 27.382 -3.325 -6.300 1.00 32.24 N ATOM 602 CA ASP A 41 28.163 -2.170 -5.872 1.00 60.33 C ATOM 603 C ASP A 41 27.256 -1.076 -5.317 1.00 65.31 C ATOM 604 O ASP A 41 27.703 0.042 -5.063 1.00 14.13 O ATOM 605 CB ASP A 41 28.986 -1.624 -7.040 1.00 60.20 C ATOM 606 CG ASP A 41 30.133 -0.746 -6.579 1.00 53.14 C ATOM 607 OD1 ASP A 41 31.155 -1.297 -6.120 1.00 75.34 O ATOM 608 OD2 ASP A 41 30.008 0.493 -6.677 1.00 52.11 O ATOM 0 H ASP A 41 26.757 -3.144 -7.086 1.00 32.24 H new ATOM 0 HA ASP A 41 28.839 -2.492 -5.080 1.00 60.33 H new ATOM 0 HB2 ASP A 41 29.381 -2.456 -7.623 1.00 60.20 H new ATOM 0 HB3 ASP A 41 28.337 -1.051 -7.702 1.00 60.20 H new ATOM 613 N GLN A 42 25.982 -1.407 -5.133 1.00 65.30 N ATOM 614 CA GLN A 42 25.013 -0.452 -4.610 1.00 3.32 C ATOM 615 C GLN A 42 24.927 -0.541 -3.090 1.00 2.32 C ATOM 616 O GLN A 42 25.224 -1.572 -2.486 1.00 52.01 O ATOM 617 CB GLN A 42 23.636 -0.701 -5.226 1.00 73.21 C ATOM 618 CG GLN A 42 23.676 -0.950 -6.725 1.00 72.22 C ATOM 619 CD GLN A 42 22.323 -1.337 -7.289 1.00 31.41 C ATOM 620 OE1 GLN A 42 22.060 -2.511 -7.552 1.00 61.32 O ATOM 621 NE2 GLN A 42 21.455 -0.350 -7.477 1.00 61.12 N ATOM 0 H GLN A 42 25.597 -2.329 -5.338 1.00 65.30 H new ATOM 0 HA GLN A 42 25.347 0.550 -4.879 1.00 3.32 H new ATOM 0 HB2 GLN A 42 23.178 -1.560 -4.736 1.00 73.21 H new ATOM 0 HB3 GLN A 42 22.997 0.159 -5.026 1.00 73.21 H new ATOM 0 HG2 GLN A 42 24.032 -0.052 -7.229 1.00 72.22 H new ATOM 0 HG3 GLN A 42 24.394 -1.741 -6.939 1.00 72.22 H new ATOM 0 HE21 GLN A 42 21.715 0.609 -7.245 1.00 61.12 H new ATOM 0 HE22 GLN A 42 20.528 -0.551 -7.853 1.00 61.12 H new ATOM 630 N PRO A 43 24.512 0.565 -2.454 1.00 52.14 N ATOM 631 CA PRO A 43 24.377 0.637 -0.996 1.00 71.24 C ATOM 632 C PRO A 43 23.221 -0.213 -0.479 1.00 25.03 C ATOM 633 O PRO A 43 22.130 -0.207 -1.047 1.00 2.33 O ATOM 634 CB PRO A 43 24.107 2.121 -0.738 1.00 13.22 C ATOM 635 CG PRO A 43 23.502 2.622 -2.004 1.00 15.24 C ATOM 636 CD PRO A 43 24.141 1.830 -3.110 1.00 44.43 C ATOM 0 HA PRO A 43 25.261 0.256 -0.485 1.00 71.24 H new ATOM 0 HB2 PRO A 43 23.431 2.259 0.106 1.00 13.22 H new ATOM 0 HB3 PRO A 43 25.027 2.655 -0.500 1.00 13.22 H new ATOM 0 HG2 PRO A 43 22.421 2.485 -2.001 1.00 15.24 H new ATOM 0 HG3 PRO A 43 23.688 3.689 -2.130 1.00 15.24 H new ATOM 0 HD2 PRO A 43 23.451 1.666 -3.937 1.00 44.43 H new ATOM 0 HD3 PRO A 43 25.013 2.341 -3.519 1.00 44.43 H new ATOM 644 N GLY A 44 23.469 -0.944 0.604 1.00 1.01 N ATOM 645 CA GLY A 44 22.439 -1.789 1.180 1.00 3.33 C ATOM 646 C GLY A 44 22.460 -1.777 2.696 1.00 44.31 C ATOM 647 O GLY A 44 23.269 -2.453 3.332 1.00 32.02 O ATOM 0 H GLY A 44 24.364 -0.966 1.092 1.00 1.01 H new ATOM 0 HA2 GLY A 44 21.462 -1.455 0.831 1.00 3.33 H new ATOM 0 HA3 GLY A 44 22.572 -2.811 0.826 1.00 3.33 H new ATOM 651 N PRO A 45 21.555 -0.991 3.298 1.00 61.20 N ATOM 652 CA PRO A 45 21.453 -0.874 4.756 1.00 45.14 C ATOM 653 C PRO A 45 20.924 -2.148 5.404 1.00 34.22 C ATOM 654 O PRO A 45 20.827 -2.239 6.628 1.00 30.22 O ATOM 655 CB PRO A 45 20.463 0.277 4.951 1.00 63.03 C ATOM 656 CG PRO A 45 19.642 0.285 3.707 1.00 4.35 C ATOM 657 CD PRO A 45 20.561 -0.157 2.602 1.00 33.40 C ATOM 0 HA PRO A 45 22.424 -0.702 5.220 1.00 45.14 H new ATOM 0 HB2 PRO A 45 19.843 0.121 5.834 1.00 63.03 H new ATOM 0 HB3 PRO A 45 20.981 1.226 5.090 1.00 63.03 H new ATOM 0 HG2 PRO A 45 18.789 -0.388 3.798 1.00 4.35 H new ATOM 0 HG3 PRO A 45 19.243 1.280 3.509 1.00 4.35 H new ATOM 0 HD2 PRO A 45 20.027 -0.722 1.837 1.00 33.40 H new ATOM 0 HD3 PRO A 45 21.028 0.693 2.103 1.00 33.40 H new ATOM 665 N ASP A 46 20.582 -3.130 4.577 1.00 43.33 N ATOM 666 CA ASP A 46 20.064 -4.400 5.070 1.00 35.21 C ATOM 667 C ASP A 46 21.169 -5.220 5.728 1.00 42.11 C ATOM 668 O ASP A 46 21.643 -6.206 5.165 1.00 41.44 O ATOM 669 CB ASP A 46 19.433 -5.196 3.927 1.00 75.42 C ATOM 670 CG ASP A 46 17.956 -4.898 3.759 1.00 13.34 C ATOM 671 OD1 ASP A 46 17.169 -5.279 4.651 1.00 51.21 O ATOM 672 OD2 ASP A 46 17.586 -4.283 2.736 1.00 24.54 O ATOM 0 H ASP A 46 20.654 -3.070 3.561 1.00 43.33 H new ATOM 0 HA ASP A 46 19.301 -4.186 5.818 1.00 35.21 H new ATOM 0 HB2 ASP A 46 19.955 -4.967 2.998 1.00 75.42 H new ATOM 0 HB3 ASP A 46 19.567 -6.262 4.113 1.00 75.42 H new ATOM 677 N ASN A 47 21.576 -4.804 6.923 1.00 71.30 N ATOM 678 CA ASN A 47 22.627 -5.499 7.657 1.00 63.31 C ATOM 679 C ASN A 47 22.034 -6.397 8.738 1.00 74.41 C ATOM 680 O ASN A 47 21.907 -5.993 9.894 1.00 32.11 O ATOM 681 CB ASN A 47 23.590 -4.491 8.288 1.00 52.14 C ATOM 682 CG ASN A 47 24.814 -5.157 8.887 1.00 53.54 C ATOM 683 OD1 ASN A 47 25.433 -6.019 8.263 1.00 12.30 O ATOM 684 ND2 ASN A 47 25.168 -4.758 10.103 1.00 71.21 N ATOM 0 H ASN A 47 21.194 -3.989 7.403 1.00 71.30 H new ATOM 0 HA ASN A 47 23.175 -6.123 6.952 1.00 63.31 H new ATOM 0 HB2 ASN A 47 23.905 -3.771 7.532 1.00 52.14 H new ATOM 0 HB3 ASN A 47 23.068 -3.931 9.064 1.00 52.14 H new ATOM 0 HD21 ASN A 47 25.983 -5.169 10.558 1.00 71.21 H new ATOM 0 HD22 ASN A 47 24.625 -4.040 10.582 1.00 71.21 H new ATOM 691 N ILE A 48 21.672 -7.617 8.354 1.00 44.14 N ATOM 692 CA ILE A 48 21.094 -8.572 9.290 1.00 21.51 C ATOM 693 C ILE A 48 21.915 -8.651 10.573 1.00 64.35 C ATOM 694 O ILE A 48 23.141 -8.767 10.548 1.00 31.12 O ATOM 695 CB ILE A 48 20.995 -9.979 8.670 1.00 11.21 C ATOM 696 CG1 ILE A 48 20.143 -9.941 7.400 1.00 52.02 C ATOM 697 CG2 ILE A 48 20.413 -10.961 9.676 1.00 60.13 C ATOM 698 CD1 ILE A 48 20.717 -10.757 6.263 1.00 74.21 C ATOM 0 H ILE A 48 21.769 -7.967 7.401 1.00 44.14 H new ATOM 0 HA ILE A 48 20.091 -8.216 9.525 1.00 21.51 H new ATOM 0 HB ILE A 48 21.997 -10.314 8.403 1.00 11.21 H new ATOM 0 HG12 ILE A 48 19.143 -10.308 7.632 1.00 52.02 H new ATOM 0 HG13 ILE A 48 20.035 -8.906 7.075 1.00 52.02 H new ATOM 0 HG21 ILE A 48 20.349 -11.951 9.223 1.00 60.13 H new ATOM 0 HG22 ILE A 48 21.056 -11.005 10.555 1.00 60.13 H new ATOM 0 HG23 ILE A 48 19.417 -10.632 9.971 1.00 60.13 H new ATOM 0 HD11 ILE A 48 20.061 -10.684 5.395 1.00 74.21 H new ATOM 0 HD12 ILE A 48 21.705 -10.376 6.004 1.00 74.21 H new ATOM 0 HD13 ILE A 48 20.799 -11.800 6.569 1.00 74.21 H new ATOM 710 N PRO A 49 21.226 -8.589 11.721 1.00 10.14 N ATOM 711 CA PRO A 49 21.871 -8.654 13.036 1.00 10.22 C ATOM 712 C PRO A 49 22.437 -10.038 13.337 1.00 54.43 C ATOM 713 O PRO A 49 22.543 -10.882 12.447 1.00 52.10 O ATOM 714 CB PRO A 49 20.735 -8.318 14.006 1.00 72.44 C ATOM 715 CG PRO A 49 19.492 -8.708 13.282 1.00 42.51 C ATOM 716 CD PRO A 49 19.764 -8.451 11.825 1.00 14.14 C ATOM 0 HA PRO A 49 22.723 -7.978 13.105 1.00 10.22 H new ATOM 0 HB2 PRO A 49 20.837 -8.868 14.942 1.00 72.44 H new ATOM 0 HB3 PRO A 49 20.730 -7.258 14.258 1.00 72.44 H new ATOM 0 HG2 PRO A 49 19.252 -9.757 13.455 1.00 42.51 H new ATOM 0 HG3 PRO A 49 18.639 -8.125 13.629 1.00 42.51 H new ATOM 0 HD2 PRO A 49 19.246 -9.168 11.187 1.00 14.14 H new ATOM 0 HD3 PRO A 49 19.432 -7.458 11.523 1.00 14.14 H new ATOM 724 N ASP A 50 22.798 -10.263 14.595 1.00 73.40 N ATOM 725 CA ASP A 50 23.351 -11.546 15.013 1.00 23.11 C ATOM 726 C ASP A 50 22.449 -12.217 16.044 1.00 71.54 C ATOM 727 O ASP A 50 22.906 -13.025 16.853 1.00 3.22 O ATOM 728 CB ASP A 50 24.754 -11.356 15.592 1.00 1.12 C ATOM 729 CG ASP A 50 25.675 -12.517 15.272 1.00 40.22 C ATOM 730 OD1 ASP A 50 25.165 -13.592 14.892 1.00 41.34 O ATOM 731 OD2 ASP A 50 26.906 -12.350 15.400 1.00 33.25 O ATOM 0 H ASP A 50 22.718 -9.574 15.343 1.00 73.40 H new ATOM 0 HA ASP A 50 23.412 -12.190 14.136 1.00 23.11 H new ATOM 0 HB2 ASP A 50 25.185 -10.435 15.198 1.00 1.12 H new ATOM 0 HB3 ASP A 50 24.685 -11.239 16.673 1.00 1.12 H new ATOM 736 N CYS A 51 21.165 -11.878 16.009 1.00 53.24 N ATOM 737 CA CYS A 51 20.197 -12.446 16.940 1.00 43.42 C ATOM 738 C CYS A 51 18.845 -12.647 16.263 1.00 35.30 C ATOM 739 O CYS A 51 18.405 -11.814 15.471 1.00 15.41 O ATOM 740 CB CYS A 51 20.039 -11.537 18.160 1.00 12.04 C ATOM 741 SG CYS A 51 18.562 -11.894 19.166 1.00 3.51 S ATOM 0 H CYS A 51 20.770 -11.212 15.345 1.00 53.24 H new ATOM 0 HA CYS A 51 20.569 -13.418 17.265 1.00 43.42 H new ATOM 0 HB2 CYS A 51 20.925 -11.632 18.788 1.00 12.04 H new ATOM 0 HB3 CYS A 51 19.996 -10.501 17.825 1.00 12.04 H new ATOM 0 HG CYS A 51 18.762 -11.495 20.387 1.00 3.51 H new ATOM 746 N ASP A 52 18.190 -13.759 16.581 1.00 43.12 N ATOM 747 CA ASP A 52 16.887 -14.070 16.005 1.00 21.22 C ATOM 748 C ASP A 52 15.849 -14.295 17.100 1.00 0.12 C ATOM 749 O ASP A 52 15.429 -15.425 17.350 1.00 74.15 O ATOM 750 CB ASP A 52 16.982 -15.309 15.114 1.00 64.34 C ATOM 751 CG ASP A 52 15.636 -15.726 14.555 1.00 51.40 C ATOM 752 OD1 ASP A 52 15.191 -15.113 13.562 1.00 30.11 O ATOM 753 OD2 ASP A 52 15.027 -16.663 15.111 1.00 33.43 O ATOM 0 H ASP A 52 18.540 -14.460 17.234 1.00 43.12 H new ATOM 0 HA ASP A 52 16.573 -13.220 15.400 1.00 21.22 H new ATOM 0 HB2 ASP A 52 17.668 -15.109 14.291 1.00 64.34 H new ATOM 0 HB3 ASP A 52 17.405 -16.134 15.688 1.00 64.34 H new ATOM 758 N CYS A 53 15.440 -13.212 17.752 1.00 2.50 N ATOM 759 CA CYS A 53 14.453 -13.289 18.822 1.00 73.23 C ATOM 760 C CYS A 53 13.213 -14.053 18.363 1.00 4.45 C ATOM 761 O CYS A 53 13.066 -14.370 17.183 1.00 43.35 O ATOM 762 CB CYS A 53 14.058 -11.885 19.283 1.00 4.21 C ATOM 763 SG CYS A 53 15.290 -11.083 20.359 1.00 10.43 S ATOM 0 H CYS A 53 15.778 -12.269 17.558 1.00 2.50 H new ATOM 0 HA CYS A 53 14.901 -13.825 19.658 1.00 73.23 H new ATOM 0 HB2 CYS A 53 13.894 -11.259 18.406 1.00 4.21 H new ATOM 0 HB3 CYS A 53 13.109 -11.942 19.815 1.00 4.21 H new ATOM 0 HG CYS A 53 16.486 -11.371 19.939 1.00 10.43 H new ATOM 768 N THR A 54 12.323 -14.345 19.306 1.00 30.24 N ATOM 769 CA THR A 54 11.097 -15.072 19.001 1.00 40.30 C ATOM 770 C THR A 54 9.957 -14.114 18.676 1.00 52.35 C ATOM 771 O THR A 54 9.549 -13.988 17.521 1.00 61.51 O ATOM 772 CB THR A 54 10.673 -15.977 20.173 1.00 4.43 C ATOM 773 OG1 THR A 54 10.781 -15.261 21.409 1.00 42.53 O ATOM 774 CG2 THR A 54 11.536 -17.228 20.230 1.00 60.31 C ATOM 0 H THR A 54 12.428 -14.089 20.288 1.00 30.24 H new ATOM 0 HA THR A 54 11.307 -15.693 18.130 1.00 40.30 H new ATOM 0 HB THR A 54 9.637 -16.276 20.016 1.00 4.43 H new ATOM 0 HG1 THR A 54 10.508 -15.843 22.149 1.00 42.53 H new ATOM 0 HG21 THR A 54 11.218 -17.852 21.066 1.00 60.31 H new ATOM 0 HG22 THR A 54 11.430 -17.786 19.300 1.00 60.31 H new ATOM 0 HG23 THR A 54 12.580 -16.944 20.366 1.00 60.31 H new ATOM 782 N SER A 55 9.446 -13.439 19.701 1.00 43.25 N ATOM 783 CA SER A 55 8.350 -12.494 19.523 1.00 1.44 C ATOM 784 C SER A 55 8.797 -11.291 18.697 1.00 25.53 C ATOM 785 O SER A 55 9.461 -10.388 19.204 1.00 22.11 O ATOM 786 CB SER A 55 7.827 -12.026 20.883 1.00 70.20 C ATOM 787 OG SER A 55 6.940 -10.930 20.739 1.00 62.31 O ATOM 0 H SER A 55 9.773 -13.529 20.663 1.00 43.25 H new ATOM 0 HA SER A 55 7.548 -13.003 18.987 1.00 1.44 H new ATOM 0 HB2 SER A 55 7.315 -12.849 21.382 1.00 70.20 H new ATOM 0 HB3 SER A 55 8.664 -11.739 21.519 1.00 70.20 H new ATOM 0 HG SER A 55 6.619 -10.651 21.622 1.00 62.31 H new ATOM 793 N GLY A 56 8.428 -11.289 17.420 1.00 43.41 N ATOM 794 CA GLY A 56 8.800 -10.194 16.543 1.00 52.32 C ATOM 795 C GLY A 56 7.618 -9.644 15.769 1.00 61.33 C ATOM 796 O GLY A 56 6.487 -9.659 16.256 1.00 21.12 O ATOM 0 H GLY A 56 7.878 -12.025 16.977 1.00 43.41 H new ATOM 0 HA2 GLY A 56 9.247 -9.395 17.134 1.00 52.32 H new ATOM 0 HA3 GLY A 56 9.562 -10.536 15.842 1.00 52.32 H new ATOM 800 N CYS A 57 7.879 -9.157 14.561 1.00 62.11 N ATOM 801 CA CYS A 57 6.828 -8.598 13.718 1.00 0.34 C ATOM 802 C CYS A 57 7.161 -8.780 12.241 1.00 14.11 C ATOM 803 O CYS A 57 8.254 -8.434 11.793 1.00 1.12 O ATOM 804 CB CYS A 57 6.632 -7.113 14.030 1.00 34.42 C ATOM 805 SG CYS A 57 8.121 -6.111 13.817 1.00 23.04 S ATOM 0 H CYS A 57 8.809 -9.138 14.143 1.00 62.11 H new ATOM 0 HA CYS A 57 5.902 -9.132 13.931 1.00 0.34 H new ATOM 0 HB2 CYS A 57 5.846 -6.718 13.386 1.00 34.42 H new ATOM 0 HB3 CYS A 57 6.283 -7.012 15.058 1.00 34.42 H new ATOM 0 HG CYS A 57 9.169 -6.826 14.099 1.00 23.04 H new ATOM 811 N TYR A 58 6.211 -9.326 11.490 1.00 65.44 N ATOM 812 CA TYR A 58 6.405 -9.559 10.063 1.00 0.32 C ATOM 813 C TYR A 58 5.384 -8.779 9.241 1.00 52.13 C ATOM 814 O TYR A 58 4.257 -8.552 9.682 1.00 32.50 O ATOM 815 CB TYR A 58 6.296 -11.052 9.749 1.00 44.21 C ATOM 816 CG TYR A 58 4.883 -11.510 9.468 1.00 63.15 C ATOM 817 CD1 TYR A 58 4.367 -11.482 8.178 1.00 35.32 C ATOM 818 CD2 TYR A 58 4.065 -11.972 10.491 1.00 23.14 C ATOM 819 CE1 TYR A 58 3.076 -11.899 7.917 1.00 72.41 C ATOM 820 CE2 TYR A 58 2.774 -12.393 10.239 1.00 13.41 C ATOM 821 CZ TYR A 58 2.283 -12.354 8.950 1.00 4.14 C ATOM 822 OH TYR A 58 0.998 -12.772 8.694 1.00 54.40 O ATOM 0 H TYR A 58 5.300 -9.615 11.845 1.00 65.44 H new ATOM 0 HA TYR A 58 7.403 -9.211 9.796 1.00 0.32 H new ATOM 0 HB2 TYR A 58 6.921 -11.280 8.886 1.00 44.21 H new ATOM 0 HB3 TYR A 58 6.693 -11.621 10.589 1.00 44.21 H new ATOM 0 HD1 TYR A 58 4.985 -11.128 7.366 1.00 35.32 H new ATOM 0 HD2 TYR A 58 4.445 -12.003 11.501 1.00 23.14 H new ATOM 0 HE1 TYR A 58 2.689 -11.869 6.909 1.00 72.41 H new ATOM 0 HE2 TYR A 58 2.152 -12.751 11.046 1.00 13.41 H new ATOM 0 HH TYR A 58 0.809 -12.682 7.737 1.00 54.40 H new ATOM 832 N TYR A 59 5.786 -8.371 8.042 1.00 25.24 N ATOM 833 CA TYR A 59 4.908 -7.615 7.157 1.00 25.13 C ATOM 834 C TYR A 59 3.756 -8.483 6.661 1.00 22.32 C ATOM 835 O TYR A 59 3.921 -9.289 5.745 1.00 52.31 O ATOM 836 CB TYR A 59 5.698 -7.067 5.967 1.00 21.33 C ATOM 837 CG TYR A 59 5.167 -5.753 5.441 1.00 34.32 C ATOM 838 CD1 TYR A 59 3.800 -5.536 5.312 1.00 62.24 C ATOM 839 CD2 TYR A 59 6.030 -4.729 5.073 1.00 62.33 C ATOM 840 CE1 TYR A 59 3.310 -4.338 4.831 1.00 52.53 C ATOM 841 CE2 TYR A 59 5.549 -3.527 4.592 1.00 12.13 C ATOM 842 CZ TYR A 59 4.188 -3.336 4.473 1.00 50.11 C ATOM 843 OH TYR A 59 3.704 -2.140 3.993 1.00 25.14 O ATOM 0 H TYR A 59 6.715 -8.551 7.661 1.00 25.24 H new ATOM 0 HA TYR A 59 4.493 -6.782 7.724 1.00 25.13 H new ATOM 0 HB2 TYR A 59 6.739 -6.936 6.262 1.00 21.33 H new ATOM 0 HB3 TYR A 59 5.684 -7.803 5.163 1.00 21.33 H new ATOM 0 HD1 TYR A 59 3.110 -6.318 5.593 1.00 62.24 H new ATOM 0 HD2 TYR A 59 7.096 -4.875 5.165 1.00 62.33 H new ATOM 0 HE1 TYR A 59 2.245 -4.186 4.736 1.00 52.53 H new ATOM 0 HE2 TYR A 59 6.234 -2.741 4.311 1.00 12.13 H new ATOM 0 HH TYR A 59 4.453 -1.542 3.788 1.00 25.14 H new ATOM 853 N SER A 60 2.589 -8.312 7.273 1.00 31.34 N ATOM 854 CA SER A 60 1.409 -9.082 6.897 1.00 14.54 C ATOM 855 C SER A 60 0.751 -8.494 5.653 1.00 51.44 C ATOM 856 O SER A 60 0.275 -7.358 5.666 1.00 20.31 O ATOM 857 CB SER A 60 0.405 -9.113 8.052 1.00 41.22 C ATOM 858 OG SER A 60 -0.305 -7.890 8.143 1.00 11.15 O ATOM 0 H SER A 60 2.435 -7.647 8.031 1.00 31.34 H new ATOM 0 HA SER A 60 1.726 -10.100 6.673 1.00 14.54 H new ATOM 0 HB2 SER A 60 -0.296 -9.934 7.906 1.00 41.22 H new ATOM 0 HB3 SER A 60 0.929 -9.304 8.989 1.00 41.22 H new ATOM 0 HG SER A 60 0.283 -7.150 7.884 1.00 11.15 H new ATOM 864 N ARG A 61 0.728 -9.275 4.578 1.00 64.11 N ATOM 865 CA ARG A 61 0.131 -8.833 3.324 1.00 53.31 C ATOM 866 C ARG A 61 -1.392 -8.808 3.426 1.00 4.42 C ATOM 867 O ARG A 61 -2.058 -8.039 2.733 1.00 63.24 O ATOM 868 CB ARG A 61 0.560 -9.750 2.178 1.00 64.33 C ATOM 869 CG ARG A 61 0.742 -9.027 0.853 1.00 14.35 C ATOM 870 CD ARG A 61 2.173 -8.547 0.672 1.00 1.44 C ATOM 871 NE ARG A 61 2.459 -8.190 -0.715 1.00 4.55 N ATOM 872 CZ ARG A 61 3.467 -7.404 -1.078 1.00 54.52 C ATOM 873 NH1 ARG A 61 4.280 -6.896 -0.162 1.00 54.32 N ATOM 874 NH2 ARG A 61 3.663 -7.125 -2.361 1.00 15.44 N ATOM 0 H ARG A 61 1.116 -10.218 4.551 1.00 64.11 H new ATOM 0 HA ARG A 61 0.482 -7.821 3.121 1.00 53.31 H new ATOM 0 HB2 ARG A 61 1.496 -10.239 2.447 1.00 64.33 H new ATOM 0 HB3 ARG A 61 -0.186 -10.535 2.054 1.00 64.33 H new ATOM 0 HG2 ARG A 61 0.475 -9.694 0.034 1.00 14.35 H new ATOM 0 HG3 ARG A 61 0.063 -8.176 0.806 1.00 14.35 H new ATOM 0 HD2 ARG A 61 2.349 -7.683 1.313 1.00 1.44 H new ATOM 0 HD3 ARG A 61 2.861 -9.328 0.995 1.00 1.44 H new ATOM 0 HE ARG A 61 1.852 -8.564 -1.444 1.00 4.55 H new ATOM 0 HH11 ARG A 61 4.133 -7.108 0.825 1.00 54.32 H new ATOM 0 HH12 ARG A 61 5.053 -6.293 -0.444 1.00 54.32 H new ATOM 0 HH21 ARG A 61 3.040 -7.514 -3.069 1.00 15.44 H new ATOM 0 HH22 ARG A 61 4.437 -6.522 -2.639 1.00 15.44 H new ATOM 888 N SER A 62 -1.935 -9.654 4.296 1.00 51.45 N ATOM 889 CA SER A 62 -3.379 -9.732 4.486 1.00 42.44 C ATOM 890 C SER A 62 -3.915 -8.447 5.110 1.00 42.34 C ATOM 891 O SER A 62 -5.088 -8.107 4.950 1.00 71.42 O ATOM 892 CB SER A 62 -3.734 -10.928 5.370 1.00 30.31 C ATOM 893 OG SER A 62 -3.868 -12.110 4.600 1.00 70.04 O ATOM 0 H SER A 62 -1.397 -10.295 4.880 1.00 51.45 H new ATOM 0 HA SER A 62 -3.843 -9.862 3.508 1.00 42.44 H new ATOM 0 HB2 SER A 62 -2.961 -11.068 6.125 1.00 30.31 H new ATOM 0 HB3 SER A 62 -4.665 -10.728 5.900 1.00 30.31 H new ATOM 0 HG SER A 62 -4.093 -12.860 5.189 1.00 70.04 H new ATOM 899 N LEU A 63 -3.047 -7.736 5.821 1.00 13.42 N ATOM 900 CA LEU A 63 -3.432 -6.487 6.470 1.00 23.04 C ATOM 901 C LEU A 63 -2.603 -5.321 5.941 1.00 13.34 C ATOM 902 O LEU A 63 -2.776 -4.179 6.369 1.00 30.20 O ATOM 903 CB LEU A 63 -3.260 -6.603 7.986 1.00 71.41 C ATOM 904 CG LEU A 63 -3.997 -7.763 8.658 1.00 40.42 C ATOM 905 CD1 LEU A 63 -5.392 -7.920 8.072 1.00 4.31 C ATOM 906 CD2 LEU A 63 -3.206 -9.054 8.511 1.00 70.24 C ATOM 0 H LEU A 63 -2.073 -8.002 5.963 1.00 13.42 H new ATOM 0 HA LEU A 63 -4.481 -6.296 6.243 1.00 23.04 H new ATOM 0 HB2 LEU A 63 -2.196 -6.699 8.205 1.00 71.41 H new ATOM 0 HB3 LEU A 63 -3.596 -5.672 8.442 1.00 71.41 H new ATOM 0 HG LEU A 63 -4.095 -7.540 9.720 1.00 40.42 H new ATOM 0 HD11 LEU A 63 -5.901 -8.750 8.562 1.00 4.31 H new ATOM 0 HD12 LEU A 63 -5.958 -7.002 8.230 1.00 4.31 H new ATOM 0 HD13 LEU A 63 -5.317 -8.121 7.003 1.00 4.31 H new ATOM 0 HD21 LEU A 63 -3.745 -9.868 8.995 1.00 70.24 H new ATOM 0 HD22 LEU A 63 -3.076 -9.283 7.453 1.00 70.24 H new ATOM 0 HD23 LEU A 63 -2.229 -8.937 8.979 1.00 70.24 H new ATOM 918 N ASP A 64 -1.705 -5.615 5.008 1.00 72.21 N ATOM 919 CA ASP A 64 -0.852 -4.591 4.417 1.00 1.44 C ATOM 920 C ASP A 64 -0.170 -3.760 5.501 1.00 75.42 C ATOM 921 O ASP A 64 -0.247 -2.532 5.496 1.00 55.35 O ATOM 922 CB ASP A 64 -1.671 -3.681 3.500 1.00 22.11 C ATOM 923 CG ASP A 64 -0.810 -2.672 2.767 1.00 44.33 C ATOM 924 OD1 ASP A 64 0.040 -3.095 1.955 1.00 34.43 O ATOM 925 OD2 ASP A 64 -0.984 -1.458 3.005 1.00 72.12 O ATOM 0 H ASP A 64 -1.549 -6.555 4.644 1.00 72.21 H new ATOM 0 HA ASP A 64 -0.083 -5.090 3.828 1.00 1.44 H new ATOM 0 HB2 ASP A 64 -2.209 -4.291 2.774 1.00 22.11 H new ATOM 0 HB3 ASP A 64 -2.420 -3.154 4.091 1.00 22.11 H new ATOM 930 N ARG A 65 0.495 -4.440 6.429 1.00 41.01 N ATOM 931 CA ARG A 65 1.188 -3.765 7.520 1.00 60.31 C ATOM 932 C ARG A 65 1.866 -4.776 8.441 1.00 54.21 C ATOM 933 O ARG A 65 1.458 -5.935 8.514 1.00 63.55 O ATOM 934 CB ARG A 65 0.208 -2.906 8.321 1.00 70.20 C ATOM 935 CG ARG A 65 -1.070 -3.635 8.703 1.00 23.51 C ATOM 936 CD ARG A 65 -1.284 -3.633 10.209 1.00 42.34 C ATOM 937 NE ARG A 65 -2.674 -3.902 10.564 1.00 34.32 N ATOM 938 CZ ARG A 65 -3.104 -4.013 11.816 1.00 35.41 C ATOM 939 NH1 ARG A 65 -2.257 -3.878 12.826 1.00 25.34 N ATOM 940 NH2 ARG A 65 -4.385 -4.260 12.059 1.00 15.54 N ATOM 0 H ARG A 65 0.569 -5.457 6.447 1.00 41.01 H new ATOM 0 HA ARG A 65 1.955 -3.122 7.088 1.00 60.31 H new ATOM 0 HB2 ARG A 65 0.702 -2.556 9.228 1.00 70.20 H new ATOM 0 HB3 ARG A 65 -0.049 -2.022 7.737 1.00 70.20 H new ATOM 0 HG2 ARG A 65 -1.921 -3.161 8.213 1.00 23.51 H new ATOM 0 HG3 ARG A 65 -1.026 -4.663 8.342 1.00 23.51 H new ATOM 0 HD2 ARG A 65 -0.641 -4.384 10.668 1.00 42.34 H new ATOM 0 HD3 ARG A 65 -0.986 -2.667 10.616 1.00 42.34 H new ATOM 0 HE ARG A 65 -3.352 -4.011 9.810 1.00 34.32 H new ATOM 0 HH11 ARG A 65 -1.272 -3.688 12.643 1.00 25.34 H new ATOM 0 HH12 ARG A 65 -2.590 -3.964 13.786 1.00 25.34 H new ATOM 0 HH21 ARG A 65 -5.040 -4.365 11.284 1.00 15.54 H new ATOM 0 HH22 ARG A 65 -4.715 -4.345 13.021 1.00 15.54 H new ATOM 954 N TYR A 66 2.901 -4.328 9.142 1.00 42.12 N ATOM 955 CA TYR A 66 3.637 -5.193 10.056 1.00 63.23 C ATOM 956 C TYR A 66 2.767 -5.600 11.241 1.00 73.45 C ATOM 957 O TYR A 66 2.078 -4.769 11.833 1.00 31.43 O ATOM 958 CB TYR A 66 4.899 -4.487 10.555 1.00 63.44 C ATOM 959 CG TYR A 66 6.142 -4.842 9.770 1.00 51.15 C ATOM 960 CD1 TYR A 66 6.445 -4.191 8.580 1.00 51.11 C ATOM 961 CD2 TYR A 66 7.012 -5.828 10.216 1.00 23.25 C ATOM 962 CE1 TYR A 66 7.579 -4.512 7.859 1.00 53.13 C ATOM 963 CE2 TYR A 66 8.149 -6.155 9.503 1.00 41.33 C ATOM 964 CZ TYR A 66 8.428 -5.494 8.324 1.00 12.04 C ATOM 965 OH TYR A 66 9.558 -5.817 7.610 1.00 64.33 O ATOM 0 H TYR A 66 3.250 -3.371 9.095 1.00 42.12 H new ATOM 0 HA TYR A 66 3.923 -6.093 9.512 1.00 63.23 H new ATOM 0 HB2 TYR A 66 4.745 -3.409 10.508 1.00 63.44 H new ATOM 0 HB3 TYR A 66 5.057 -4.741 11.603 1.00 63.44 H new ATOM 0 HD1 TYR A 66 5.783 -3.421 8.213 1.00 51.11 H new ATOM 0 HD2 TYR A 66 6.796 -6.349 11.137 1.00 23.25 H new ATOM 0 HE1 TYR A 66 7.799 -3.996 6.936 1.00 53.13 H new ATOM 0 HE2 TYR A 66 8.816 -6.923 9.866 1.00 41.33 H new ATOM 0 HH TYR A 66 10.051 -4.999 7.391 1.00 64.33 H new ATOM 975 N ILE A 67 2.804 -6.884 11.580 1.00 71.52 N ATOM 976 CA ILE A 67 2.020 -7.403 12.694 1.00 4.44 C ATOM 977 C ILE A 67 2.895 -8.197 13.659 1.00 53.13 C ATOM 978 O ILE A 67 3.769 -8.964 13.255 1.00 43.40 O ATOM 979 CB ILE A 67 0.869 -8.301 12.204 1.00 4.21 C ATOM 980 CG1 ILE A 67 1.412 -9.653 11.737 1.00 21.02 C ATOM 981 CG2 ILE A 67 0.104 -7.615 11.082 1.00 33.33 C ATOM 982 CD1 ILE A 67 0.347 -10.573 11.184 1.00 34.31 C ATOM 0 H ILE A 67 3.369 -7.584 11.099 1.00 71.52 H new ATOM 0 HA ILE A 67 1.600 -6.541 13.213 1.00 4.44 H new ATOM 0 HB ILE A 67 0.183 -8.473 13.033 1.00 4.21 H new ATOM 0 HG12 ILE A 67 2.170 -9.486 10.972 1.00 21.02 H new ATOM 0 HG13 ILE A 67 1.907 -10.145 12.574 1.00 21.02 H new ATOM 0 HG21 ILE A 67 -0.706 -8.262 10.746 1.00 33.33 H new ATOM 0 HG22 ILE A 67 -0.309 -6.674 11.446 1.00 33.33 H new ATOM 0 HG23 ILE A 67 0.779 -7.417 10.249 1.00 33.33 H new ATOM 0 HD11 ILE A 67 0.804 -11.512 10.872 1.00 34.31 H new ATOM 0 HD12 ILE A 67 -0.399 -10.770 11.954 1.00 34.31 H new ATOM 0 HD13 ILE A 67 -0.132 -10.101 10.326 1.00 34.31 H new ATOM 994 N PRO A 68 2.654 -8.012 14.965 1.00 35.32 N ATOM 995 CA PRO A 68 3.407 -8.705 16.015 1.00 51.31 C ATOM 996 C PRO A 68 3.091 -10.196 16.067 1.00 5.32 C ATOM 997 O PRO A 68 1.931 -10.592 16.179 1.00 41.51 O ATOM 998 CB PRO A 68 2.942 -8.014 17.299 1.00 33.45 C ATOM 999 CG PRO A 68 1.588 -7.483 16.975 1.00 21.33 C ATOM 1000 CD PRO A 68 1.626 -7.114 15.518 1.00 4.42 C ATOM 0 HA PRO A 68 4.483 -8.649 15.850 1.00 51.31 H new ATOM 0 HB2 PRO A 68 2.903 -8.714 18.134 1.00 33.45 H new ATOM 0 HB3 PRO A 68 3.623 -7.213 17.586 1.00 33.45 H new ATOM 0 HG2 PRO A 68 0.819 -8.231 17.168 1.00 21.33 H new ATOM 0 HG3 PRO A 68 1.351 -6.616 17.591 1.00 21.33 H new ATOM 0 HD2 PRO A 68 0.659 -7.267 15.039 1.00 4.42 H new ATOM 0 HD3 PRO A 68 1.889 -6.066 15.376 1.00 4.42 H new ATOM 1008 N VAL A 69 4.132 -11.019 15.986 1.00 32.21 N ATOM 1009 CA VAL A 69 3.966 -12.467 16.026 1.00 74.21 C ATOM 1010 C VAL A 69 4.979 -13.111 16.966 1.00 72.04 C ATOM 1011 O VAL A 69 5.931 -12.466 17.403 1.00 12.12 O ATOM 1012 CB VAL A 69 4.115 -13.088 14.624 1.00 0.02 C ATOM 1013 CG1 VAL A 69 3.152 -12.434 13.645 1.00 20.20 C ATOM 1014 CG2 VAL A 69 5.551 -12.963 14.137 1.00 54.21 C ATOM 0 H VAL A 69 5.099 -10.708 15.892 1.00 32.21 H new ATOM 0 HA VAL A 69 2.959 -12.660 16.395 1.00 74.21 H new ATOM 0 HB VAL A 69 3.867 -14.148 14.686 1.00 0.02 H new ATOM 0 HG11 VAL A 69 3.272 -12.886 12.660 1.00 20.20 H new ATOM 0 HG12 VAL A 69 2.128 -12.580 13.989 1.00 20.20 H new ATOM 0 HG13 VAL A 69 3.365 -11.367 13.583 1.00 20.20 H new ATOM 0 HG21 VAL A 69 5.639 -13.407 13.145 1.00 54.21 H new ATOM 0 HG22 VAL A 69 5.829 -11.910 14.089 1.00 54.21 H new ATOM 0 HG23 VAL A 69 6.216 -13.483 14.827 1.00 54.21 H new ATOM 1024 N GLU A 70 4.767 -14.387 17.271 1.00 71.41 N ATOM 1025 CA GLU A 70 5.662 -15.118 18.160 1.00 65.55 C ATOM 1026 C GLU A 70 6.007 -16.487 17.579 1.00 30.11 C ATOM 1027 O GLU A 70 5.137 -17.346 17.428 1.00 41.22 O ATOM 1028 CB GLU A 70 5.024 -15.284 19.540 1.00 0.12 C ATOM 1029 CG GLU A 70 5.862 -16.107 20.504 1.00 45.41 C ATOM 1030 CD GLU A 70 5.115 -16.455 21.777 1.00 43.43 C ATOM 1031 OE1 GLU A 70 4.279 -15.637 22.215 1.00 75.41 O ATOM 1032 OE2 GLU A 70 5.367 -17.543 22.334 1.00 0.15 O ATOM 0 H GLU A 70 3.984 -14.936 16.916 1.00 71.41 H new ATOM 0 HA GLU A 70 6.582 -14.542 18.261 1.00 65.55 H new ATOM 0 HB2 GLU A 70 4.852 -14.298 19.972 1.00 0.12 H new ATOM 0 HB3 GLU A 70 4.049 -15.757 19.425 1.00 0.12 H new ATOM 0 HG2 GLU A 70 6.179 -17.026 20.011 1.00 45.41 H new ATOM 0 HG3 GLU A 70 6.766 -15.553 20.758 1.00 45.41 H new ATOM 1039 N CYS A 71 7.280 -16.682 17.256 1.00 65.32 N ATOM 1040 CA CYS A 71 7.741 -17.946 16.691 1.00 52.35 C ATOM 1041 C CYS A 71 8.834 -18.562 17.557 1.00 64.44 C ATOM 1042 O CYS A 71 9.348 -17.922 18.473 1.00 32.13 O ATOM 1043 CB CYS A 71 8.260 -17.733 15.268 1.00 54.23 C ATOM 1044 SG CYS A 71 9.349 -16.302 15.086 1.00 44.52 S ATOM 0 H CYS A 71 8.012 -15.982 17.375 1.00 65.32 H new ATOM 0 HA CYS A 71 6.895 -18.633 16.663 1.00 52.35 H new ATOM 0 HB2 CYS A 71 8.797 -18.627 14.951 1.00 54.23 H new ATOM 0 HB3 CYS A 71 7.410 -17.617 14.596 1.00 54.23 H new ATOM 0 HG CYS A 71 9.422 -15.666 16.217 1.00 44.52 H new ATOM 1050 N GLU A 72 9.184 -19.810 17.260 1.00 70.22 N ATOM 1051 CA GLU A 72 10.215 -20.514 18.014 1.00 51.23 C ATOM 1052 C GLU A 72 11.430 -20.800 17.137 1.00 45.03 C ATOM 1053 O GLU A 72 11.295 -21.180 15.974 1.00 33.02 O ATOM 1054 CB GLU A 72 9.661 -21.823 18.579 1.00 74.20 C ATOM 1055 CG GLU A 72 8.748 -22.564 17.616 1.00 63.01 C ATOM 1056 CD GLU A 72 8.138 -23.809 18.231 1.00 44.23 C ATOM 1057 OE1 GLU A 72 8.677 -24.292 19.249 1.00 40.41 O ATOM 1058 OE2 GLU A 72 7.124 -24.300 17.694 1.00 34.12 O ATOM 0 H GLU A 72 8.769 -20.354 16.503 1.00 70.22 H new ATOM 0 HA GLU A 72 10.526 -19.874 18.839 1.00 51.23 H new ATOM 0 HB2 GLU A 72 10.493 -22.473 18.850 1.00 74.20 H new ATOM 0 HB3 GLU A 72 9.111 -21.609 19.496 1.00 74.20 H new ATOM 0 HG2 GLU A 72 7.951 -21.896 17.291 1.00 63.01 H new ATOM 0 HG3 GLU A 72 9.313 -22.842 16.727 1.00 63.01 H new ATOM 1065 N ALA A 73 12.618 -20.614 17.703 1.00 43.41 N ATOM 1066 CA ALA A 73 13.858 -20.853 16.974 1.00 11.33 C ATOM 1067 C ALA A 73 14.198 -22.339 16.942 1.00 53.12 C ATOM 1068 O ALA A 73 14.526 -22.934 17.969 1.00 14.31 O ATOM 1069 CB ALA A 73 14.998 -20.062 17.599 1.00 60.12 C ATOM 0 H ALA A 73 12.748 -20.299 18.664 1.00 43.41 H new ATOM 0 HA ALA A 73 13.717 -20.517 15.947 1.00 11.33 H new ATOM 0 HB1 ALA A 73 15.918 -20.250 17.045 1.00 60.12 H new ATOM 0 HB2 ALA A 73 14.764 -18.998 17.564 1.00 60.12 H new ATOM 0 HB3 ALA A 73 15.130 -20.371 18.636 1.00 60.12 H new ATOM 1075 N HIS A 74 14.117 -22.934 15.756 1.00 74.01 N ATOM 1076 CA HIS A 74 14.416 -24.352 15.590 1.00 13.01 C ATOM 1077 C HIS A 74 15.748 -24.546 14.873 1.00 4.11 C ATOM 1078 O HIS A 74 15.883 -24.219 13.694 1.00 61.12 O ATOM 1079 CB HIS A 74 13.298 -25.043 14.809 1.00 53.32 C ATOM 1080 CG HIS A 74 12.030 -25.201 15.590 1.00 11.34 C ATOM 1081 ND1 HIS A 74 10.821 -25.516 15.008 1.00 54.25 N ATOM 1082 CD2 HIS A 74 11.788 -25.087 16.917 1.00 10.03 C ATOM 1083 CE1 HIS A 74 9.889 -25.587 15.942 1.00 64.32 C ATOM 1084 NE2 HIS A 74 10.451 -25.332 17.110 1.00 55.32 N ATOM 0 H HIS A 74 13.847 -22.456 14.896 1.00 74.01 H new ATOM 0 HA HIS A 74 14.488 -24.801 16.581 1.00 13.01 H new ATOM 0 HB2 HIS A 74 13.089 -24.470 13.906 1.00 53.32 H new ATOM 0 HB3 HIS A 74 13.643 -26.026 14.490 1.00 53.32 H new ATOM 0 HD1 HIS A 74 10.669 -25.670 14.011 1.00 54.25 H new ATOM 0 HD2 HIS A 74 12.512 -24.848 17.682 1.00 10.03 H new ATOM 0 HE1 HIS A 74 8.846 -25.815 15.778 1.00 64.32 H new ATOM 1092 N ASP A 75 16.730 -25.078 15.593 1.00 71.22 N ATOM 1093 CA ASP A 75 18.052 -25.316 15.025 1.00 0.23 C ATOM 1094 C ASP A 75 17.950 -26.088 13.714 1.00 53.24 C ATOM 1095 O ASP A 75 18.719 -25.853 12.782 1.00 5.32 O ATOM 1096 CB ASP A 75 18.926 -26.085 16.017 1.00 34.24 C ATOM 1097 CG ASP A 75 18.881 -25.489 17.411 1.00 64.52 C ATOM 1098 OD1 ASP A 75 18.794 -24.249 17.523 1.00 45.02 O ATOM 1099 OD2 ASP A 75 18.935 -26.264 18.390 1.00 54.25 O ATOM 0 H ASP A 75 16.635 -25.352 16.571 1.00 71.22 H new ATOM 0 HA ASP A 75 18.512 -24.349 14.821 1.00 0.23 H new ATOM 0 HB2 ASP A 75 18.597 -27.123 16.058 1.00 34.24 H new ATOM 0 HB3 ASP A 75 19.956 -26.091 15.661 1.00 34.24 H new ATOM 1104 N TRP A 76 16.996 -27.010 13.649 1.00 52.52 N ATOM 1105 CA TRP A 76 16.794 -27.817 12.451 1.00 32.21 C ATOM 1106 C TRP A 76 15.640 -28.795 12.642 1.00 21.44 C ATOM 1107 O TRP A 76 15.407 -29.286 13.747 1.00 31.32 O ATOM 1108 CB TRP A 76 18.073 -28.580 12.104 1.00 42.03 C ATOM 1109 CG TRP A 76 18.668 -29.305 13.272 1.00 24.35 C ATOM 1110 CD1 TRP A 76 18.212 -30.462 13.838 1.00 45.22 C ATOM 1111 CD2 TRP A 76 19.828 -28.921 14.020 1.00 53.05 C ATOM 1112 NE1 TRP A 76 19.019 -30.820 14.891 1.00 13.34 N ATOM 1113 CE2 TRP A 76 20.017 -29.891 15.023 1.00 63.31 C ATOM 1114 CE3 TRP A 76 20.725 -27.853 13.937 1.00 23.13 C ATOM 1115 CZ2 TRP A 76 21.066 -29.823 15.936 1.00 43.43 C ATOM 1116 CZ3 TRP A 76 21.766 -27.786 14.844 1.00 32.22 C ATOM 1117 CH2 TRP A 76 21.930 -28.766 15.832 1.00 30.21 C ATOM 0 H TRP A 76 16.351 -27.217 14.411 1.00 52.52 H new ATOM 0 HA TRP A 76 16.545 -27.146 11.629 1.00 32.21 H new ATOM 0 HB2 TRP A 76 17.856 -29.297 11.313 1.00 42.03 H new ATOM 0 HB3 TRP A 76 18.808 -27.880 11.707 1.00 42.03 H new ATOM 0 HD1 TRP A 76 17.345 -31.014 13.507 1.00 45.22 H new ATOM 0 HE1 TRP A 76 18.895 -31.644 15.479 1.00 13.34 H new ATOM 0 HE3 TRP A 76 20.607 -27.094 13.178 1.00 23.13 H new ATOM 0 HZ2 TRP A 76 21.194 -30.577 16.699 1.00 43.43 H new ATOM 0 HZ3 TRP A 76 22.465 -26.964 14.790 1.00 32.22 H new ATOM 0 HH2 TRP A 76 22.754 -28.686 16.525 1.00 30.21 H new ATOM 1128 N TYR A 77 14.922 -29.075 11.561 1.00 55.32 N ATOM 1129 CA TYR A 77 13.790 -29.993 11.611 1.00 63.21 C ATOM 1130 C TYR A 77 13.428 -30.488 10.214 1.00 54.41 C ATOM 1131 O TYR A 77 13.788 -29.887 9.202 1.00 42.34 O ATOM 1132 CB TYR A 77 12.581 -29.311 12.253 1.00 72.33 C ATOM 1133 CG TYR A 77 12.524 -29.468 13.756 1.00 43.35 C ATOM 1134 CD1 TYR A 77 12.660 -30.717 14.349 1.00 0.21 C ATOM 1135 CD2 TYR A 77 12.334 -28.367 14.582 1.00 62.12 C ATOM 1136 CE1 TYR A 77 12.608 -30.865 15.722 1.00 44.24 C ATOM 1137 CE2 TYR A 77 12.283 -28.505 15.955 1.00 33.53 C ATOM 1138 CZ TYR A 77 12.420 -29.756 16.520 1.00 21.24 C ATOM 1139 OH TYR A 77 12.368 -29.898 17.888 1.00 30.41 O ATOM 0 H TYR A 77 15.103 -28.679 10.639 1.00 55.32 H new ATOM 0 HA TYR A 77 14.078 -30.852 12.217 1.00 63.21 H new ATOM 0 HB2 TYR A 77 12.601 -28.249 12.008 1.00 72.33 H new ATOM 0 HB3 TYR A 77 11.670 -29.722 11.818 1.00 72.33 H new ATOM 0 HD1 TYR A 77 12.809 -31.587 13.726 1.00 0.21 H new ATOM 0 HD2 TYR A 77 12.224 -27.387 14.143 1.00 62.12 H new ATOM 0 HE1 TYR A 77 12.714 -31.843 16.167 1.00 44.24 H new ATOM 0 HE2 TYR A 77 12.137 -27.639 16.583 1.00 33.53 H new ATOM 0 HH TYR A 77 12.232 -29.021 18.303 1.00 30.41 H new ATOM 1149 N PRO A 78 12.695 -31.610 10.156 1.00 4.12 N ATOM 1150 CA PRO A 78 12.266 -32.211 8.890 1.00 52.41 C ATOM 1151 C PRO A 78 11.212 -31.370 8.178 1.00 51.15 C ATOM 1152 O PRO A 78 10.417 -30.681 8.817 1.00 53.13 O ATOM 1153 CB PRO A 78 11.676 -33.557 9.318 1.00 42.21 C ATOM 1154 CG PRO A 78 11.248 -33.351 10.730 1.00 23.20 C ATOM 1155 CD PRO A 78 12.230 -32.379 11.323 1.00 41.42 C ATOM 0 HA PRO A 78 13.089 -32.297 8.180 1.00 52.41 H new ATOM 0 HB2 PRO A 78 10.834 -33.839 8.686 1.00 42.21 H new ATOM 0 HB3 PRO A 78 12.414 -34.355 9.240 1.00 42.21 H new ATOM 0 HG2 PRO A 78 10.233 -32.957 10.776 1.00 23.20 H new ATOM 0 HG3 PRO A 78 11.250 -34.292 11.280 1.00 23.20 H new ATOM 0 HD2 PRO A 78 11.760 -31.736 12.067 1.00 41.42 H new ATOM 0 HD3 PRO A 78 13.053 -32.892 11.820 1.00 41.42 H new ATOM 1163 N VAL A 79 11.211 -31.431 6.850 1.00 72.34 N ATOM 1164 CA VAL A 79 10.253 -30.677 6.050 1.00 1.42 C ATOM 1165 C VAL A 79 9.747 -31.503 4.873 1.00 24.23 C ATOM 1166 O VAL A 79 10.535 -32.034 4.091 1.00 5.04 O ATOM 1167 CB VAL A 79 10.872 -29.371 5.518 1.00 43.33 C ATOM 1168 CG1 VAL A 79 12.245 -29.636 4.918 1.00 11.13 C ATOM 1169 CG2 VAL A 79 9.951 -28.723 4.495 1.00 11.11 C ATOM 0 H VAL A 79 11.863 -31.995 6.305 1.00 72.34 H new ATOM 0 HA VAL A 79 9.416 -30.434 6.705 1.00 1.42 H new ATOM 0 HB VAL A 79 10.994 -28.681 6.353 1.00 43.33 H new ATOM 0 HG11 VAL A 79 12.667 -28.702 4.547 1.00 11.13 H new ATOM 0 HG12 VAL A 79 12.902 -30.053 5.682 1.00 11.13 H new ATOM 0 HG13 VAL A 79 12.152 -30.344 4.094 1.00 11.13 H new ATOM 0 HG21 VAL A 79 10.404 -27.801 4.130 1.00 11.11 H new ATOM 0 HG22 VAL A 79 9.796 -29.407 3.660 1.00 11.11 H new ATOM 0 HG23 VAL A 79 8.992 -28.496 4.961 1.00 11.11 H new ATOM 1179 N GLU A 80 8.427 -31.607 4.754 1.00 25.40 N ATOM 1180 CA GLU A 80 7.817 -32.370 3.672 1.00 72.33 C ATOM 1181 C GLU A 80 8.053 -31.690 2.326 1.00 21.51 C ATOM 1182 O GLU A 80 7.198 -30.957 1.832 1.00 72.04 O ATOM 1183 CB GLU A 80 6.315 -32.533 3.917 1.00 42.13 C ATOM 1184 CG GLU A 80 5.606 -31.228 4.236 1.00 53.44 C ATOM 1185 CD GLU A 80 4.215 -31.157 3.635 1.00 63.54 C ATOM 1186 OE1 GLU A 80 4.110 -30.958 2.406 1.00 10.02 O ATOM 1187 OE2 GLU A 80 3.233 -31.302 4.392 1.00 40.31 O ATOM 0 H GLU A 80 7.761 -31.173 5.393 1.00 25.40 H new ATOM 0 HA GLU A 80 8.283 -33.355 3.649 1.00 72.33 H new ATOM 0 HB2 GLU A 80 5.858 -32.979 3.034 1.00 42.13 H new ATOM 0 HB3 GLU A 80 6.163 -33.230 4.741 1.00 42.13 H new ATOM 0 HG2 GLU A 80 5.537 -31.112 5.318 1.00 53.44 H new ATOM 0 HG3 GLU A 80 6.202 -30.395 3.863 1.00 53.44 H new ATOM 1194 N GLU A 81 9.220 -31.940 1.740 1.00 22.05 N ATOM 1195 CA GLU A 81 9.569 -31.351 0.453 1.00 5.11 C ATOM 1196 C GLU A 81 9.107 -32.242 -0.696 1.00 51.43 C ATOM 1197 O GLU A 81 8.498 -33.290 -0.479 1.00 52.22 O ATOM 1198 CB GLU A 81 11.080 -31.127 0.363 1.00 44.21 C ATOM 1199 CG GLU A 81 11.665 -30.422 1.575 1.00 14.54 C ATOM 1200 CD GLU A 81 13.022 -29.807 1.295 1.00 23.30 C ATOM 1201 OE1 GLU A 81 13.691 -30.259 0.342 1.00 45.52 O ATOM 1202 OE2 GLU A 81 13.416 -28.876 2.028 1.00 31.32 O ATOM 0 H GLU A 81 9.939 -32.546 2.136 1.00 22.05 H new ATOM 0 HA GLU A 81 9.061 -30.390 0.372 1.00 5.11 H new ATOM 0 HB2 GLU A 81 11.575 -32.090 0.240 1.00 44.21 H new ATOM 0 HB3 GLU A 81 11.299 -30.540 -0.529 1.00 44.21 H new ATOM 0 HG2 GLU A 81 10.978 -29.642 1.903 1.00 14.54 H new ATOM 0 HG3 GLU A 81 11.755 -31.134 2.396 1.00 14.54 H new ATOM 1209 N THR A 82 9.400 -31.817 -1.922 1.00 11.25 N ATOM 1210 CA THR A 82 9.013 -32.573 -3.106 1.00 24.33 C ATOM 1211 C THR A 82 9.221 -31.753 -4.374 1.00 31.41 C ATOM 1212 O THR A 82 9.621 -32.286 -5.409 1.00 2.23 O ATOM 1213 CB THR A 82 7.541 -33.019 -3.031 1.00 71.35 C ATOM 1214 OG1 THR A 82 7.085 -33.423 -4.328 1.00 3.23 O ATOM 1215 CG2 THR A 82 6.661 -31.895 -2.506 1.00 72.13 C ATOM 0 H THR A 82 9.904 -30.953 -2.120 1.00 11.25 H new ATOM 0 HA THR A 82 9.651 -33.456 -3.140 1.00 24.33 H new ATOM 0 HB THR A 82 7.474 -33.862 -2.344 1.00 71.35 H new ATOM 0 HG1 THR A 82 6.149 -33.707 -4.272 1.00 3.23 H new ATOM 0 HG21 THR A 82 5.626 -32.234 -2.462 1.00 72.13 H new ATOM 0 HG22 THR A 82 6.992 -31.610 -1.508 1.00 72.13 H new ATOM 0 HG23 THR A 82 6.733 -31.035 -3.172 1.00 72.13 H new ATOM 1223 N GLN A 83 8.947 -30.456 -4.286 1.00 12.13 N ATOM 1224 CA GLN A 83 9.104 -29.563 -5.428 1.00 20.03 C ATOM 1225 C GLN A 83 10.518 -29.645 -5.992 1.00 65.01 C ATOM 1226 O GLN A 83 10.757 -30.307 -7.002 1.00 61.32 O ATOM 1227 CB GLN A 83 8.786 -28.122 -5.023 1.00 63.41 C ATOM 1228 CG GLN A 83 7.355 -27.708 -5.323 1.00 51.22 C ATOM 1229 CD GLN A 83 7.251 -26.807 -6.538 1.00 12.21 C ATOM 1230 OE1 GLN A 83 7.360 -25.585 -6.430 1.00 54.01 O ATOM 1231 NE2 GLN A 83 7.039 -27.406 -7.704 1.00 22.33 N ATOM 0 H GLN A 83 8.615 -30.000 -3.436 1.00 12.13 H new ATOM 0 HA GLN A 83 8.405 -29.878 -6.203 1.00 20.03 H new ATOM 0 HB2 GLN A 83 8.974 -28.003 -3.956 1.00 63.41 H new ATOM 0 HB3 GLN A 83 9.467 -27.448 -5.543 1.00 63.41 H new ATOM 0 HG2 GLN A 83 6.749 -28.600 -5.484 1.00 51.22 H new ATOM 0 HG3 GLN A 83 6.941 -27.193 -4.457 1.00 51.22 H new ATOM 0 HE21 GLN A 83 6.955 -28.422 -7.748 1.00 22.33 H new ATOM 0 HE22 GLN A 83 6.960 -26.851 -8.556 1.00 22.33 H new ATOM 1240 N TYR A 84 11.453 -28.968 -5.334 1.00 13.11 N ATOM 1241 CA TYR A 84 12.843 -28.962 -5.772 1.00 5.13 C ATOM 1242 C TYR A 84 13.568 -30.220 -5.303 1.00 74.42 C ATOM 1243 O TYR A 84 14.447 -30.737 -5.992 1.00 62.34 O ATOM 1244 CB TYR A 84 13.562 -27.720 -5.242 1.00 14.33 C ATOM 1245 CG TYR A 84 13.399 -27.516 -3.752 1.00 44.23 C ATOM 1246 CD1 TYR A 84 14.229 -28.166 -2.848 1.00 5.14 C ATOM 1247 CD2 TYR A 84 12.416 -26.672 -3.250 1.00 3.01 C ATOM 1248 CE1 TYR A 84 14.084 -27.983 -1.486 1.00 62.11 C ATOM 1249 CE2 TYR A 84 12.265 -26.482 -1.890 1.00 33.00 C ATOM 1250 CZ TYR A 84 13.101 -27.140 -1.012 1.00 73.12 C ATOM 1251 OH TYR A 84 12.954 -26.954 0.343 1.00 33.24 O ATOM 0 H TYR A 84 11.273 -28.416 -4.495 1.00 13.11 H new ATOM 0 HA TYR A 84 12.853 -28.943 -6.862 1.00 5.13 H new ATOM 0 HB2 TYR A 84 14.624 -27.798 -5.476 1.00 14.33 H new ATOM 0 HB3 TYR A 84 13.184 -26.841 -5.764 1.00 14.33 H new ATOM 0 HD1 TYR A 84 15.001 -28.826 -3.216 1.00 5.14 H new ATOM 0 HD2 TYR A 84 11.759 -26.156 -3.934 1.00 3.01 H new ATOM 0 HE1 TYR A 84 14.737 -28.497 -0.797 1.00 62.11 H new ATOM 0 HE2 TYR A 84 11.496 -25.822 -1.516 1.00 33.00 H new ATOM 0 HH TYR A 84 13.491 -26.185 0.628 1.00 33.24 H new ATOM 1261 N TYR A 85 13.191 -30.708 -4.127 1.00 34.23 N ATOM 1262 CA TYR A 85 13.804 -31.905 -3.563 1.00 61.15 C ATOM 1263 C TYR A 85 12.837 -32.625 -2.629 1.00 13.35 C ATOM 1264 O TYR A 85 11.894 -32.038 -2.097 1.00 53.24 O ATOM 1265 CB TYR A 85 15.084 -31.541 -2.809 1.00 50.22 C ATOM 1266 CG TYR A 85 16.296 -31.406 -3.703 1.00 50.11 C ATOM 1267 CD1 TYR A 85 16.629 -32.405 -4.610 1.00 1.40 C ATOM 1268 CD2 TYR A 85 17.108 -30.281 -3.640 1.00 44.43 C ATOM 1269 CE1 TYR A 85 17.736 -32.286 -5.428 1.00 71.13 C ATOM 1270 CE2 TYR A 85 18.216 -30.153 -4.456 1.00 1.03 C ATOM 1271 CZ TYR A 85 18.526 -31.158 -5.348 1.00 31.32 C ATOM 1272 OH TYR A 85 19.629 -31.036 -6.161 1.00 3.43 O ATOM 0 H TYR A 85 12.463 -30.293 -3.545 1.00 34.23 H new ATOM 0 HA TYR A 85 14.053 -32.576 -4.385 1.00 61.15 H new ATOM 0 HB2 TYR A 85 14.928 -30.602 -2.278 1.00 50.22 H new ATOM 0 HB3 TYR A 85 15.282 -32.304 -2.056 1.00 50.22 H new ATOM 0 HD1 TYR A 85 16.012 -33.289 -4.676 1.00 1.40 H new ATOM 0 HD2 TYR A 85 16.869 -29.493 -2.941 1.00 44.43 H new ATOM 0 HE1 TYR A 85 17.982 -33.072 -6.127 1.00 71.13 H new ATOM 0 HE2 TYR A 85 18.836 -29.271 -4.395 1.00 1.03 H new ATOM 0 HH TYR A 85 20.076 -30.183 -5.980 1.00 3.43 H new ATOM 1282 N PRO A 86 13.075 -33.928 -2.421 1.00 64.22 N ATOM 1283 CA PRO A 86 12.238 -34.757 -1.549 1.00 61.44 C ATOM 1284 C PRO A 86 12.396 -34.394 -0.077 1.00 4.20 C ATOM 1285 O PRO A 86 13.271 -33.608 0.289 1.00 71.21 O ATOM 1286 CB PRO A 86 12.752 -36.176 -1.808 1.00 42.22 C ATOM 1287 CG PRO A 86 14.158 -35.992 -2.264 1.00 45.42 C ATOM 1288 CD PRO A 86 14.181 -34.693 -3.022 1.00 4.24 C ATOM 0 HA PRO A 86 11.177 -34.628 -1.761 1.00 61.44 H new ATOM 0 HB2 PRO A 86 12.705 -36.785 -0.905 1.00 42.22 H new ATOM 0 HB3 PRO A 86 12.153 -36.682 -2.565 1.00 42.22 H new ATOM 0 HG2 PRO A 86 14.842 -35.961 -1.416 1.00 45.42 H new ATOM 0 HG3 PRO A 86 14.474 -36.820 -2.899 1.00 45.42 H new ATOM 0 HD2 PRO A 86 15.135 -34.178 -2.908 1.00 4.24 H new ATOM 0 HD3 PRO A 86 14.029 -34.848 -4.090 1.00 4.24 H new ATOM 1296 N LYS A 87 11.545 -34.970 0.765 1.00 63.42 N ATOM 1297 CA LYS A 87 11.591 -34.709 2.199 1.00 60.14 C ATOM 1298 C LYS A 87 13.031 -34.683 2.701 1.00 31.32 C ATOM 1299 O LYS A 87 13.836 -35.548 2.354 1.00 32.43 O ATOM 1300 CB LYS A 87 10.794 -35.772 2.957 1.00 33.43 C ATOM 1301 CG LYS A 87 10.339 -35.323 4.335 1.00 33.42 C ATOM 1302 CD LYS A 87 9.058 -36.025 4.756 1.00 62.13 C ATOM 1303 CE LYS A 87 8.156 -35.103 5.561 1.00 10.31 C ATOM 1304 NZ LYS A 87 7.929 -35.615 6.941 1.00 42.21 N ATOM 0 H LYS A 87 10.814 -35.621 0.479 1.00 63.42 H new ATOM 0 HA LYS A 87 11.144 -33.731 2.380 1.00 60.14 H new ATOM 0 HB2 LYS A 87 9.920 -36.048 2.367 1.00 33.43 H new ATOM 0 HB3 LYS A 87 11.406 -36.668 3.060 1.00 33.43 H new ATOM 0 HG2 LYS A 87 11.124 -35.529 5.063 1.00 33.42 H new ATOM 0 HG3 LYS A 87 10.180 -34.245 4.333 1.00 33.42 H new ATOM 0 HD2 LYS A 87 8.526 -36.375 3.871 1.00 62.13 H new ATOM 0 HD3 LYS A 87 9.303 -36.906 5.350 1.00 62.13 H new ATOM 0 HE2 LYS A 87 8.603 -34.110 5.611 1.00 10.31 H new ATOM 0 HE3 LYS A 87 7.198 -34.996 5.051 1.00 10.31 H new ATOM 0 HZ1 LYS A 87 7.309 -34.958 7.457 1.00 42.21 H new ATOM 0 HZ2 LYS A 87 7.479 -36.551 6.894 1.00 42.21 H new ATOM 0 HZ3 LYS A 87 8.840 -35.693 7.437 1.00 42.21 H new ATOM 1318 N HIS A 88 13.349 -33.687 3.521 1.00 11.34 N ATOM 1319 CA HIS A 88 14.692 -33.550 4.074 1.00 50.03 C ATOM 1320 C HIS A 88 14.678 -32.680 5.327 1.00 61.10 C ATOM 1321 O HIS A 88 13.641 -32.133 5.703 1.00 50.24 O ATOM 1322 CB HIS A 88 15.636 -32.949 3.032 1.00 51.22 C ATOM 1323 CG HIS A 88 16.882 -33.751 2.819 1.00 64.30 C ATOM 1324 ND1 HIS A 88 16.952 -34.816 1.946 1.00 71.14 N ATOM 1325 CD2 HIS A 88 18.113 -33.638 3.371 1.00 61.40 C ATOM 1326 CE1 HIS A 88 18.171 -35.325 1.971 1.00 51.41 C ATOM 1327 NE2 HIS A 88 18.895 -34.628 2.828 1.00 44.43 N ATOM 0 H HIS A 88 12.695 -32.963 3.818 1.00 11.34 H new ATOM 0 HA HIS A 88 15.049 -34.543 4.347 1.00 50.03 H new ATOM 0 HB2 HIS A 88 15.106 -32.858 2.084 1.00 51.22 H new ATOM 0 HB3 HIS A 88 15.911 -31.941 3.342 1.00 51.22 H new ATOM 0 HD2 HIS A 88 18.422 -32.906 4.102 1.00 61.40 H new ATOM 0 HE1 HIS A 88 18.516 -36.167 1.390 1.00 51.41 H new ATOM 0 HE2 HIS A 88 19.876 -34.797 3.051 1.00 44.43 H new ATOM 1335 N ILE A 89 15.835 -32.558 5.969 1.00 32.04 N ATOM 1336 CA ILE A 89 15.955 -31.755 7.180 1.00 52.33 C ATOM 1337 C ILE A 89 16.534 -30.378 6.871 1.00 73.23 C ATOM 1338 O ILE A 89 17.530 -30.259 6.158 1.00 21.53 O ATOM 1339 CB ILE A 89 16.842 -32.448 8.230 1.00 21.42 C ATOM 1340 CG1 ILE A 89 16.423 -33.910 8.398 1.00 22.41 C ATOM 1341 CG2 ILE A 89 16.763 -31.713 9.560 1.00 53.15 C ATOM 1342 CD1 ILE A 89 14.976 -34.082 8.804 1.00 41.52 C ATOM 0 H ILE A 89 16.702 -33.005 5.671 1.00 32.04 H new ATOM 0 HA ILE A 89 14.949 -31.642 7.584 1.00 52.33 H new ATOM 0 HB ILE A 89 17.875 -32.422 7.884 1.00 21.42 H new ATOM 0 HG12 ILE A 89 16.594 -34.438 7.460 1.00 22.41 H new ATOM 0 HG13 ILE A 89 17.060 -34.378 9.148 1.00 22.41 H new ATOM 0 HG21 ILE A 89 17.396 -32.216 10.292 1.00 53.15 H new ATOM 0 HG22 ILE A 89 17.105 -30.686 9.429 1.00 53.15 H new ATOM 0 HG23 ILE A 89 15.732 -31.710 9.913 1.00 53.15 H new ATOM 0 HD11 ILE A 89 14.750 -35.144 8.904 1.00 41.52 H new ATOM 0 HD12 ILE A 89 14.804 -33.583 9.757 1.00 41.52 H new ATOM 0 HD13 ILE A 89 14.330 -33.644 8.043 1.00 41.52 H new ATOM 1354 N GLN A 90 15.903 -29.342 7.413 1.00 11.31 N ATOM 1355 CA GLN A 90 16.357 -27.973 7.196 1.00 74.11 C ATOM 1356 C GLN A 90 16.995 -27.405 8.459 1.00 45.53 C ATOM 1357 O GLN A 90 16.900 -27.995 9.535 1.00 73.12 O ATOM 1358 CB GLN A 90 15.187 -27.089 6.759 1.00 2.03 C ATOM 1359 CG GLN A 90 14.738 -27.337 5.328 1.00 20.23 C ATOM 1360 CD GLN A 90 13.394 -26.707 5.021 1.00 71.11 C ATOM 1361 OE1 GLN A 90 12.467 -26.770 5.829 1.00 54.23 O ATOM 1362 NE2 GLN A 90 13.281 -26.095 3.848 1.00 2.41 N ATOM 0 H GLN A 90 15.077 -29.424 8.005 1.00 11.31 H new ATOM 0 HA GLN A 90 17.108 -27.986 6.406 1.00 74.11 H new ATOM 0 HB2 GLN A 90 14.345 -27.258 7.430 1.00 2.03 H new ATOM 0 HB3 GLN A 90 15.474 -26.043 6.865 1.00 2.03 H new ATOM 0 HG2 GLN A 90 15.486 -26.940 4.642 1.00 20.23 H new ATOM 0 HG3 GLN A 90 14.681 -28.411 5.150 1.00 20.23 H new ATOM 0 HE21 GLN A 90 14.075 -26.067 3.209 1.00 2.41 H new ATOM 0 HE22 GLN A 90 12.400 -25.653 3.586 1.00 2.41 H new ATOM 1371 N TYR A 91 17.647 -26.255 8.320 1.00 62.51 N ATOM 1372 CA TYR A 91 18.305 -25.608 9.449 1.00 34.41 C ATOM 1373 C TYR A 91 17.860 -24.155 9.578 1.00 1.34 C ATOM 1374 O TYR A 91 17.545 -23.500 8.586 1.00 51.12 O ATOM 1375 CB TYR A 91 19.824 -25.676 9.289 1.00 63.31 C ATOM 1376 CG TYR A 91 20.409 -27.030 9.626 1.00 52.54 C ATOM 1377 CD1 TYR A 91 20.067 -28.158 8.890 1.00 45.11 C ATOM 1378 CD2 TYR A 91 21.301 -27.180 10.680 1.00 62.24 C ATOM 1379 CE1 TYR A 91 20.598 -29.396 9.194 1.00 23.52 C ATOM 1380 CE2 TYR A 91 21.838 -28.415 10.990 1.00 2.51 C ATOM 1381 CZ TYR A 91 21.484 -29.520 10.245 1.00 55.43 C ATOM 1382 OH TYR A 91 22.015 -30.751 10.552 1.00 61.13 O ATOM 0 H TYR A 91 17.734 -25.752 7.437 1.00 62.51 H new ATOM 0 HA TYR A 91 18.019 -26.139 10.357 1.00 34.41 H new ATOM 0 HB2 TYR A 91 20.084 -25.423 8.261 1.00 63.31 H new ATOM 0 HB3 TYR A 91 20.282 -24.922 9.929 1.00 63.31 H new ATOM 0 HD1 TYR A 91 19.374 -28.065 8.067 1.00 45.11 H new ATOM 0 HD2 TYR A 91 21.580 -26.317 11.267 1.00 62.24 H new ATOM 0 HE1 TYR A 91 20.321 -30.263 8.612 1.00 23.52 H new ATOM 0 HE2 TYR A 91 22.532 -28.514 11.812 1.00 2.51 H new ATOM 0 HH TYR A 91 22.621 -30.664 11.317 1.00 61.13 H new ATOM 1392 N ASN A 92 17.838 -23.657 10.810 1.00 3.25 N ATOM 1393 CA ASN A 92 17.433 -22.280 11.072 1.00 72.45 C ATOM 1394 C ASN A 92 16.000 -22.038 10.607 1.00 40.03 C ATOM 1395 O ASN A 92 15.769 -21.396 9.581 1.00 35.21 O ATOM 1396 CB ASN A 92 18.380 -21.306 10.370 1.00 44.35 C ATOM 1397 CG ASN A 92 19.781 -21.867 10.221 1.00 5.15 C ATOM 1398 OD1 ASN A 92 20.423 -22.233 11.206 1.00 11.15 O ATOM 1399 ND2 ASN A 92 20.263 -21.937 8.986 1.00 41.21 N ATOM 0 H ASN A 92 18.096 -24.186 11.643 1.00 3.25 H new ATOM 0 HA ASN A 92 17.481 -22.111 12.148 1.00 72.45 H new ATOM 0 HB2 ASN A 92 17.982 -21.063 9.385 1.00 44.35 H new ATOM 0 HB3 ASN A 92 18.423 -20.375 10.935 1.00 44.35 H new ATOM 0 HD21 ASN A 92 21.200 -22.305 8.824 1.00 41.21 H new ATOM 0 HD22 ASN A 92 19.696 -21.622 8.199 1.00 41.21 H new ATOM 1406 N LEU A 93 15.042 -22.555 11.368 1.00 53.42 N ATOM 1407 CA LEU A 93 13.630 -22.394 11.035 1.00 24.21 C ATOM 1408 C LEU A 93 12.872 -21.734 12.182 1.00 21.54 C ATOM 1409 O LEU A 93 12.989 -22.148 13.337 1.00 75.02 O ATOM 1410 CB LEU A 93 13.005 -23.752 10.709 1.00 3.24 C ATOM 1411 CG LEU A 93 13.667 -24.542 9.580 1.00 42.21 C ATOM 1412 CD1 LEU A 93 12.807 -25.732 9.186 1.00 71.32 C ATOM 1413 CD2 LEU A 93 13.921 -23.643 8.378 1.00 75.40 C ATOM 0 H LEU A 93 15.216 -23.089 12.219 1.00 53.42 H new ATOM 0 HA LEU A 93 13.559 -21.749 10.159 1.00 24.21 H new ATOM 0 HB2 LEU A 93 13.022 -24.363 11.611 1.00 3.24 H new ATOM 0 HB3 LEU A 93 11.958 -23.595 10.450 1.00 3.24 H new ATOM 0 HG LEU A 93 14.626 -24.916 9.938 1.00 42.21 H new ATOM 0 HD11 LEU A 93 13.294 -26.282 8.381 1.00 71.32 H new ATOM 0 HD12 LEU A 93 12.677 -26.388 10.047 1.00 71.32 H new ATOM 0 HD13 LEU A 93 11.833 -25.380 8.847 1.00 71.32 H new ATOM 0 HD21 LEU A 93 14.393 -24.222 7.584 1.00 75.40 H new ATOM 0 HD22 LEU A 93 12.974 -23.239 8.019 1.00 75.40 H new ATOM 0 HD23 LEU A 93 14.578 -22.824 8.669 1.00 75.40 H new ATOM 1425 N LEU A 94 12.094 -20.708 11.857 1.00 33.24 N ATOM 1426 CA LEU A 94 11.313 -19.992 12.860 1.00 4.05 C ATOM 1427 C LEU A 94 9.818 -20.186 12.628 1.00 44.11 C ATOM 1428 O LEU A 94 9.214 -19.497 11.806 1.00 52.30 O ATOM 1429 CB LEU A 94 11.656 -18.501 12.833 1.00 22.52 C ATOM 1430 CG LEU A 94 12.834 -18.067 13.707 1.00 35.41 C ATOM 1431 CD1 LEU A 94 12.376 -17.826 15.137 1.00 1.41 C ATOM 1432 CD2 LEU A 94 13.940 -19.111 13.668 1.00 31.53 C ATOM 0 H LEU A 94 11.987 -20.353 10.907 1.00 33.24 H new ATOM 0 HA LEU A 94 11.565 -20.399 13.839 1.00 4.05 H new ATOM 0 HB2 LEU A 94 11.870 -18.216 11.803 1.00 22.52 H new ATOM 0 HB3 LEU A 94 10.774 -17.940 13.142 1.00 22.52 H new ATOM 0 HG LEU A 94 13.231 -17.132 13.311 1.00 35.41 H new ATOM 0 HD11 LEU A 94 13.227 -17.518 15.745 1.00 1.41 H new ATOM 0 HD12 LEU A 94 11.619 -17.042 15.149 1.00 1.41 H new ATOM 0 HD13 LEU A 94 11.954 -18.745 15.544 1.00 1.41 H new ATOM 0 HD21 LEU A 94 14.770 -18.786 14.295 1.00 31.53 H new ATOM 0 HD22 LEU A 94 13.556 -20.062 14.038 1.00 31.53 H new ATOM 0 HD23 LEU A 94 14.287 -19.235 12.642 1.00 31.53 H new ATOM 1444 N ILE A 95 9.228 -21.126 13.358 1.00 25.21 N ATOM 1445 CA ILE A 95 7.804 -21.408 13.233 1.00 12.15 C ATOM 1446 C ILE A 95 7.000 -20.657 14.290 1.00 44.22 C ATOM 1447 O ILE A 95 7.335 -20.682 15.473 1.00 30.14 O ATOM 1448 CB ILE A 95 7.515 -22.915 13.361 1.00 73.35 C ATOM 1449 CG1 ILE A 95 7.687 -23.606 12.006 1.00 2.20 C ATOM 1450 CG2 ILE A 95 6.111 -23.142 13.902 1.00 51.44 C ATOM 1451 CD1 ILE A 95 6.611 -23.250 11.005 1.00 55.01 C ATOM 0 H ILE A 95 9.714 -21.705 14.042 1.00 25.21 H new ATOM 0 HA ILE A 95 7.502 -21.071 12.241 1.00 12.15 H new ATOM 0 HB ILE A 95 8.228 -23.348 14.063 1.00 73.35 H new ATOM 0 HG12 ILE A 95 8.659 -23.339 11.592 1.00 2.20 H new ATOM 0 HG13 ILE A 95 7.690 -24.686 12.156 1.00 2.20 H new ATOM 0 HG21 ILE A 95 5.922 -24.212 13.987 1.00 51.44 H new ATOM 0 HG22 ILE A 95 6.020 -22.679 14.885 1.00 51.44 H new ATOM 0 HG23 ILE A 95 5.383 -22.698 13.223 1.00 51.44 H new ATOM 0 HD11 ILE A 95 6.797 -23.776 10.069 1.00 55.01 H new ATOM 0 HD12 ILE A 95 5.637 -23.542 11.398 1.00 55.01 H new ATOM 0 HD13 ILE A 95 6.622 -22.175 10.826 1.00 55.01 H new ATOM 1463 N GLY A 96 5.937 -19.989 13.853 1.00 75.51 N ATOM 1464 CA GLY A 96 5.100 -19.242 14.774 1.00 44.33 C ATOM 1465 C GLY A 96 3.623 -19.501 14.556 1.00 32.13 C ATOM 1466 O GLY A 96 3.241 -20.543 14.024 1.00 43.34 O ATOM 0 H GLY A 96 5.640 -19.952 12.878 1.00 75.51 H new ATOM 0 HA2 GLY A 96 5.365 -19.507 15.797 1.00 44.33 H new ATOM 0 HA3 GLY A 96 5.300 -18.177 14.659 1.00 44.33 H new ATOM 1470 N GLU A 97 2.790 -18.552 14.971 1.00 35.01 N ATOM 1471 CA GLU A 97 1.345 -18.685 14.821 1.00 63.24 C ATOM 1472 C GLU A 97 0.782 -17.559 13.959 1.00 12.54 C ATOM 1473 O GLU A 97 0.478 -16.475 14.457 1.00 74.24 O ATOM 1474 CB GLU A 97 0.665 -18.683 16.191 1.00 30.41 C ATOM 1475 CG GLU A 97 -0.680 -19.391 16.204 1.00 3.32 C ATOM 1476 CD GLU A 97 -1.609 -18.858 17.278 1.00 24.41 C ATOM 1477 OE1 GLU A 97 -1.287 -19.018 18.474 1.00 70.20 O ATOM 1478 OE2 GLU A 97 -2.657 -18.281 16.922 1.00 74.53 O ATOM 0 H GLU A 97 3.090 -17.683 15.413 1.00 35.01 H new ATOM 0 HA GLU A 97 1.143 -19.634 14.325 1.00 63.24 H new ATOM 0 HB2 GLU A 97 1.325 -19.161 16.915 1.00 30.41 H new ATOM 0 HB3 GLU A 97 0.527 -17.652 16.517 1.00 30.41 H new ATOM 0 HG2 GLU A 97 -1.155 -19.279 15.229 1.00 3.32 H new ATOM 0 HG3 GLU A 97 -0.523 -20.458 16.361 1.00 3.32 H new ATOM 1485 N GLY A 98 0.646 -17.823 12.663 1.00 22.13 N ATOM 1486 CA GLY A 98 0.121 -16.823 11.753 1.00 53.40 C ATOM 1487 C GLY A 98 -0.461 -17.433 10.493 1.00 23.23 C ATOM 1488 O GLY A 98 -0.429 -18.648 10.295 1.00 41.12 O ATOM 0 H GLY A 98 0.890 -18.712 12.227 1.00 22.13 H new ATOM 0 HA2 GLY A 98 -0.649 -16.243 12.261 1.00 53.40 H new ATOM 0 HA3 GLY A 98 0.917 -16.129 11.483 1.00 53.40 H new ATOM 1492 N PRO A 99 -1.009 -16.580 9.616 1.00 43.33 N ATOM 1493 CA PRO A 99 -1.611 -17.020 8.354 1.00 54.10 C ATOM 1494 C PRO A 99 -0.572 -17.527 7.361 1.00 44.04 C ATOM 1495 O PRO A 99 0.625 -17.287 7.524 1.00 43.44 O ATOM 1496 CB PRO A 99 -2.286 -15.753 7.822 1.00 1.10 C ATOM 1497 CG PRO A 99 -1.521 -14.631 8.435 1.00 40.25 C ATOM 1498 CD PRO A 99 -1.082 -15.119 9.787 1.00 4.02 C ATOM 0 HA PRO A 99 -2.296 -17.856 8.499 1.00 54.10 H new ATOM 0 HB2 PRO A 99 -2.247 -15.711 6.734 1.00 1.10 H new ATOM 0 HB3 PRO A 99 -3.338 -15.716 8.105 1.00 1.10 H new ATOM 0 HG2 PRO A 99 -0.662 -14.362 7.820 1.00 40.25 H new ATOM 0 HG3 PRO A 99 -2.141 -13.739 8.525 1.00 40.25 H new ATOM 0 HD2 PRO A 99 -0.117 -14.699 10.072 1.00 4.02 H new ATOM 0 HD3 PRO A 99 -1.793 -14.841 10.565 1.00 4.02 H new ATOM 1506 N CYS A 100 -1.035 -18.228 6.332 1.00 34.33 N ATOM 1507 CA CYS A 100 -0.144 -18.770 5.312 1.00 15.31 C ATOM 1508 C CYS A 100 -0.761 -18.633 3.924 1.00 71.12 C ATOM 1509 O CYS A 100 -1.853 -19.140 3.665 1.00 1.23 O ATOM 1510 CB CYS A 100 0.165 -20.239 5.604 1.00 44.35 C ATOM 1511 SG CYS A 100 -1.301 -21.269 5.843 1.00 0.03 S ATOM 0 H CYS A 100 -2.023 -18.434 6.182 1.00 34.33 H new ATOM 0 HA CYS A 100 0.785 -18.200 5.335 1.00 15.31 H new ATOM 0 HB2 CYS A 100 0.752 -20.646 4.780 1.00 44.35 H new ATOM 0 HB3 CYS A 100 0.787 -20.298 6.498 1.00 44.35 H new ATOM 0 HG CYS A 100 -1.105 -22.078 6.841 1.00 0.03 H new ATOM 1517 N VAL A 101 -0.055 -17.944 3.033 1.00 1.55 N ATOM 1518 CA VAL A 101 -0.533 -17.739 1.671 1.00 22.32 C ATOM 1519 C VAL A 101 0.629 -17.520 0.708 1.00 32.14 C ATOM 1520 O VAL A 101 1.720 -17.102 1.097 1.00 33.54 O ATOM 1521 CB VAL A 101 -1.490 -16.535 1.587 1.00 65.24 C ATOM 1522 CG1 VAL A 101 -2.864 -16.907 2.121 1.00 13.21 C ATOM 1523 CG2 VAL A 101 -0.917 -15.346 2.344 1.00 74.40 C ATOM 0 H VAL A 101 0.851 -17.518 3.230 1.00 1.55 H new ATOM 0 HA VAL A 101 -1.072 -18.642 1.385 1.00 22.32 H new ATOM 0 HB VAL A 101 -1.599 -16.251 0.540 1.00 65.24 H new ATOM 0 HG11 VAL A 101 -3.526 -16.044 2.054 1.00 13.21 H new ATOM 0 HG12 VAL A 101 -3.274 -17.726 1.531 1.00 13.21 H new ATOM 0 HG13 VAL A 101 -2.778 -17.218 3.162 1.00 13.21 H new ATOM 0 HG21 VAL A 101 -1.606 -14.504 2.274 1.00 74.40 H new ATOM 0 HG22 VAL A 101 -0.777 -15.615 3.391 1.00 74.40 H new ATOM 0 HG23 VAL A 101 0.043 -15.066 1.910 1.00 74.40 H new ATOM 1533 N PRO A 102 0.392 -17.808 -0.580 1.00 54.51 N ATOM 1534 CA PRO A 102 1.406 -17.649 -1.626 1.00 51.53 C ATOM 1535 C PRO A 102 1.722 -16.184 -1.910 1.00 11.14 C ATOM 1536 O PRO A 102 2.655 -15.872 -2.648 1.00 51.42 O ATOM 1537 CB PRO A 102 0.759 -18.302 -2.850 1.00 30.31 C ATOM 1538 CG PRO A 102 -0.707 -18.199 -2.604 1.00 23.32 C ATOM 1539 CD PRO A 102 -0.885 -18.309 -1.115 1.00 34.32 C ATOM 0 HA PRO A 102 2.358 -18.095 -1.340 1.00 51.53 H new ATOM 0 HB2 PRO A 102 1.043 -17.789 -3.769 1.00 30.31 H new ATOM 0 HB3 PRO A 102 1.071 -19.341 -2.955 1.00 30.31 H new ATOM 0 HG2 PRO A 102 -1.100 -17.252 -2.975 1.00 23.32 H new ATOM 0 HG3 PRO A 102 -1.246 -18.992 -3.121 1.00 23.32 H new ATOM 0 HD2 PRO A 102 -1.728 -17.713 -0.766 1.00 34.32 H new ATOM 0 HD3 PRO A 102 -1.073 -19.338 -0.808 1.00 34.32 H new ATOM 1547 N GLY A 103 0.938 -15.288 -1.317 1.00 32.54 N ATOM 1548 CA GLY A 103 1.151 -13.867 -1.518 1.00 31.12 C ATOM 1549 C GLY A 103 1.706 -13.184 -0.284 1.00 11.32 C ATOM 1550 O GLY A 103 1.658 -11.959 -0.170 1.00 11.13 O ATOM 0 H GLY A 103 0.159 -15.522 -0.701 1.00 32.54 H new ATOM 0 HA2 GLY A 103 1.838 -13.720 -2.351 1.00 31.12 H new ATOM 0 HA3 GLY A 103 0.208 -13.397 -1.796 1.00 31.12 H new ATOM 1554 N ASP A 104 2.233 -13.976 0.643 1.00 74.40 N ATOM 1555 CA ASP A 104 2.799 -13.441 1.876 1.00 54.35 C ATOM 1556 C ASP A 104 4.293 -13.734 1.959 1.00 4.34 C ATOM 1557 O ASP A 104 5.017 -13.102 2.729 1.00 64.35 O ATOM 1558 CB ASP A 104 2.081 -14.032 3.090 1.00 5.33 C ATOM 1559 CG ASP A 104 2.641 -13.515 4.401 1.00 23.11 C ATOM 1560 OD1 ASP A 104 3.124 -12.363 4.428 1.00 62.44 O ATOM 1561 OD2 ASP A 104 2.596 -14.262 5.401 1.00 52.04 O ATOM 0 H ASP A 104 2.280 -14.992 0.564 1.00 74.40 H new ATOM 0 HA ASP A 104 2.659 -12.360 1.873 1.00 54.35 H new ATOM 0 HB2 ASP A 104 1.019 -13.793 3.032 1.00 5.33 H new ATOM 0 HB3 ASP A 104 2.165 -15.118 3.065 1.00 5.33 H new ATOM 1566 N ALA A 105 4.748 -14.696 1.164 1.00 61.22 N ATOM 1567 CA ALA A 105 6.156 -15.072 1.147 1.00 22.34 C ATOM 1568 C ALA A 105 7.049 -13.849 0.973 1.00 42.44 C ATOM 1569 O ALA A 105 6.807 -13.010 0.106 1.00 51.12 O ATOM 1570 CB ALA A 105 6.420 -16.083 0.041 1.00 52.20 C ATOM 0 H ALA A 105 4.161 -15.230 0.523 1.00 61.22 H new ATOM 0 HA ALA A 105 6.395 -15.530 2.107 1.00 22.34 H new ATOM 0 HB1 ALA A 105 7.476 -16.354 0.041 1.00 52.20 H new ATOM 0 HB2 ALA A 105 5.816 -16.974 0.211 1.00 52.20 H new ATOM 0 HB3 ALA A 105 6.157 -15.645 -0.922 1.00 52.20 H new ATOM 1576 N GLY A 106 8.083 -13.753 1.803 1.00 44.31 N ATOM 1577 CA GLY A 106 8.996 -12.627 1.724 1.00 63.32 C ATOM 1578 C GLY A 106 8.825 -11.659 2.877 1.00 34.25 C ATOM 1579 O GLY A 106 9.565 -10.684 2.994 1.00 41.20 O ATOM 0 H GLY A 106 8.305 -14.435 2.529 1.00 44.31 H new ATOM 0 HA2 GLY A 106 10.022 -12.995 1.712 1.00 63.32 H new ATOM 0 HA3 GLY A 106 8.836 -12.099 0.784 1.00 63.32 H new ATOM 1583 N GLY A 107 7.843 -11.928 3.733 1.00 74.12 N ATOM 1584 CA GLY A 107 7.592 -11.063 4.871 1.00 44.03 C ATOM 1585 C GLY A 107 8.775 -10.991 5.816 1.00 45.05 C ATOM 1586 O GLY A 107 9.146 -11.988 6.436 1.00 42.21 O ATOM 0 H GLY A 107 7.217 -12.730 3.658 1.00 74.12 H new ATOM 0 HA2 GLY A 107 7.353 -10.061 4.516 1.00 44.03 H new ATOM 0 HA3 GLY A 107 6.719 -11.426 5.414 1.00 44.03 H new ATOM 1590 N LYS A 108 9.372 -9.809 5.925 1.00 0.21 N ATOM 1591 CA LYS A 108 10.521 -9.609 6.800 1.00 31.15 C ATOM 1592 C LYS A 108 10.092 -9.588 8.264 1.00 24.13 C ATOM 1593 O LYS A 108 9.210 -8.822 8.652 1.00 12.44 O ATOM 1594 CB LYS A 108 11.235 -8.302 6.448 1.00 24.43 C ATOM 1595 CG LYS A 108 11.981 -8.354 5.126 1.00 31.00 C ATOM 1596 CD LYS A 108 13.290 -7.586 5.194 1.00 42.13 C ATOM 1597 CE LYS A 108 14.474 -8.469 4.830 1.00 30.24 C ATOM 1598 NZ LYS A 108 15.763 -7.727 4.903 1.00 12.12 N ATOM 0 H LYS A 108 9.079 -8.974 5.418 1.00 0.21 H new ATOM 0 HA LYS A 108 11.208 -10.442 6.652 1.00 31.15 H new ATOM 0 HB2 LYS A 108 10.502 -7.496 6.411 1.00 24.43 H new ATOM 0 HB3 LYS A 108 11.939 -8.056 7.243 1.00 24.43 H new ATOM 0 HG2 LYS A 108 12.181 -9.392 4.860 1.00 31.00 H new ATOM 0 HG3 LYS A 108 11.355 -7.938 4.337 1.00 31.00 H new ATOM 0 HD2 LYS A 108 13.249 -6.734 4.516 1.00 42.13 H new ATOM 0 HD3 LYS A 108 13.427 -7.187 6.199 1.00 42.13 H new ATOM 0 HE2 LYS A 108 14.509 -9.325 5.504 1.00 30.24 H new ATOM 0 HE3 LYS A 108 14.338 -8.862 3.822 1.00 30.24 H new ATOM 0 HZ1 LYS A 108 16.545 -8.364 4.648 1.00 12.12 H new ATOM 0 HZ2 LYS A 108 15.740 -6.925 4.242 1.00 12.12 H new ATOM 0 HZ3 LYS A 108 15.906 -7.374 5.871 1.00 12.12 H new ATOM 1612 N LEU A 109 10.723 -10.433 9.073 1.00 42.44 N ATOM 1613 CA LEU A 109 10.408 -10.510 10.495 1.00 43.20 C ATOM 1614 C LEU A 109 11.401 -9.695 11.318 1.00 51.44 C ATOM 1615 O LEU A 109 12.552 -10.095 11.497 1.00 33.54 O ATOM 1616 CB LEU A 109 10.417 -11.967 10.961 1.00 4.31 C ATOM 1617 CG LEU A 109 10.045 -12.206 12.425 1.00 51.52 C ATOM 1618 CD1 LEU A 109 8.776 -11.447 12.783 1.00 21.52 C ATOM 1619 CD2 LEU A 109 9.874 -13.693 12.696 1.00 61.22 C ATOM 0 H LEU A 109 11.455 -11.074 8.768 1.00 42.44 H new ATOM 0 HA LEU A 109 9.412 -10.093 10.644 1.00 43.20 H new ATOM 0 HB2 LEU A 109 9.727 -12.532 10.335 1.00 4.31 H new ATOM 0 HB3 LEU A 109 11.412 -12.377 10.788 1.00 4.31 H new ATOM 0 HG LEU A 109 10.856 -11.834 13.052 1.00 51.52 H new ATOM 0 HD11 LEU A 109 8.526 -11.629 13.828 1.00 21.52 H new ATOM 0 HD12 LEU A 109 8.934 -10.380 12.628 1.00 21.52 H new ATOM 0 HD13 LEU A 109 7.957 -11.788 12.150 1.00 21.52 H new ATOM 0 HD21 LEU A 109 9.609 -13.844 13.743 1.00 61.22 H new ATOM 0 HD22 LEU A 109 9.082 -14.090 12.061 1.00 61.22 H new ATOM 0 HD23 LEU A 109 10.808 -14.212 12.479 1.00 61.22 H new ATOM 1631 N LEU A 110 10.948 -8.550 11.817 1.00 40.13 N ATOM 1632 CA LEU A 110 11.796 -7.678 12.623 1.00 34.31 C ATOM 1633 C LEU A 110 11.548 -7.903 14.111 1.00 11.03 C ATOM 1634 O LEU A 110 10.406 -8.057 14.545 1.00 12.54 O ATOM 1635 CB LEU A 110 11.539 -6.213 12.267 1.00 11.12 C ATOM 1636 CG LEU A 110 12.227 -5.699 11.002 1.00 20.01 C ATOM 1637 CD1 LEU A 110 11.197 -5.331 9.946 1.00 75.11 C ATOM 1638 CD2 LEU A 110 13.113 -4.504 11.325 1.00 72.44 C ATOM 0 H LEU A 110 9.999 -8.204 11.678 1.00 40.13 H new ATOM 0 HA LEU A 110 12.836 -7.921 12.406 1.00 34.31 H new ATOM 0 HB2 LEU A 110 10.464 -6.070 12.155 1.00 11.12 H new ATOM 0 HB3 LEU A 110 11.857 -5.595 13.106 1.00 11.12 H new ATOM 0 HG LEU A 110 12.856 -6.496 10.604 1.00 20.01 H new ATOM 0 HD11 LEU A 110 11.705 -4.967 9.053 1.00 75.11 H new ATOM 0 HD12 LEU A 110 10.605 -6.210 9.693 1.00 75.11 H new ATOM 0 HD13 LEU A 110 10.541 -4.551 10.333 1.00 75.11 H new ATOM 0 HD21 LEU A 110 13.595 -4.151 10.413 1.00 72.44 H new ATOM 0 HD22 LEU A 110 12.505 -3.704 11.747 1.00 72.44 H new ATOM 0 HD23 LEU A 110 13.875 -4.800 12.046 1.00 72.44 H new ATOM 1650 N CYS A 111 12.625 -7.919 14.889 1.00 1.03 N ATOM 1651 CA CYS A 111 12.526 -8.123 16.329 1.00 11.34 C ATOM 1652 C CYS A 111 13.115 -6.937 17.088 1.00 14.14 C ATOM 1653 O CYS A 111 13.394 -5.890 16.504 1.00 12.23 O ATOM 1654 CB CYS A 111 13.247 -9.410 16.734 1.00 34.13 C ATOM 1655 SG CYS A 111 15.059 -9.249 16.830 1.00 73.24 S ATOM 0 H CYS A 111 13.577 -7.793 14.546 1.00 1.03 H new ATOM 0 HA CYS A 111 11.470 -8.209 16.587 1.00 11.34 H new ATOM 0 HB2 CYS A 111 12.870 -9.735 17.704 1.00 34.13 H new ATOM 0 HB3 CYS A 111 13.000 -10.193 16.017 1.00 34.13 H new ATOM 0 HG CYS A 111 15.484 -9.781 17.937 1.00 73.24 H new ATOM 1660 N ARG A 112 13.301 -7.110 18.393 1.00 54.11 N ATOM 1661 CA ARG A 112 13.855 -6.055 19.232 1.00 0.51 C ATOM 1662 C ARG A 112 14.877 -5.226 18.459 1.00 1.13 C ATOM 1663 O ARG A 112 14.850 -3.995 18.497 1.00 63.33 O ATOM 1664 CB ARG A 112 14.507 -6.655 20.479 1.00 41.20 C ATOM 1665 CG ARG A 112 13.539 -7.427 21.360 1.00 23.25 C ATOM 1666 CD ARG A 112 12.537 -6.501 22.032 1.00 71.53 C ATOM 1667 NE ARG A 112 12.276 -6.888 23.416 1.00 45.02 N ATOM 1668 CZ ARG A 112 13.096 -6.608 24.423 1.00 34.44 C ATOM 1669 NH1 ARG A 112 14.221 -5.943 24.202 1.00 21.42 N ATOM 1670 NH2 ARG A 112 12.789 -6.994 25.656 1.00 43.14 N ATOM 0 H ARG A 112 13.076 -7.971 18.892 1.00 54.11 H new ATOM 0 HA ARG A 112 13.038 -5.401 19.537 1.00 0.51 H new ATOM 0 HB2 ARG A 112 15.315 -7.319 20.172 1.00 41.20 H new ATOM 0 HB3 ARG A 112 14.958 -5.854 21.064 1.00 41.20 H new ATOM 0 HG2 ARG A 112 13.008 -8.165 20.759 1.00 23.25 H new ATOM 0 HG3 ARG A 112 14.095 -7.976 22.120 1.00 23.25 H new ATOM 0 HD2 ARG A 112 12.915 -5.479 22.007 1.00 71.53 H new ATOM 0 HD3 ARG A 112 11.603 -6.510 21.471 1.00 71.53 H new ATOM 0 HE ARG A 112 11.418 -7.401 23.620 1.00 45.02 H new ATOM 0 HH11 ARG A 112 14.460 -5.644 23.256 1.00 21.42 H new ATOM 0 HH12 ARG A 112 14.848 -5.730 24.978 1.00 21.42 H new ATOM 0 HH21 ARG A 112 11.924 -7.505 25.830 1.00 43.14 H new ATOM 0 HH22 ARG A 112 13.418 -6.779 26.429 1.00 43.14 H new ATOM 1684 N HIS A 113 15.778 -5.909 17.760 1.00 52.12 N ATOM 1685 CA HIS A 113 16.809 -5.236 16.978 1.00 70.01 C ATOM 1686 C HIS A 113 16.302 -4.911 15.576 1.00 3.30 C ATOM 1687 O HIS A 113 16.244 -3.747 15.181 1.00 75.21 O ATOM 1688 CB HIS A 113 18.062 -6.107 16.890 1.00 23.43 C ATOM 1689 CG HIS A 113 18.238 -7.024 18.062 1.00 54.11 C ATOM 1690 ND1 HIS A 113 18.038 -6.624 19.366 1.00 33.44 N ATOM 1691 CD2 HIS A 113 18.595 -8.328 18.120 1.00 72.21 C ATOM 1692 CE1 HIS A 113 18.266 -7.643 20.176 1.00 1.23 C ATOM 1693 NE2 HIS A 113 18.605 -8.689 19.445 1.00 43.11 N ATOM 0 H HIS A 113 15.815 -6.928 17.719 1.00 52.12 H new ATOM 0 HA HIS A 113 17.059 -4.302 17.481 1.00 70.01 H new ATOM 0 HB2 HIS A 113 18.018 -6.701 15.977 1.00 23.43 H new ATOM 0 HB3 HIS A 113 18.937 -5.463 16.809 1.00 23.43 H new ATOM 0 HD2 HIS A 113 18.829 -8.966 17.281 1.00 72.21 H new ATOM 0 HE1 HIS A 113 18.188 -7.623 21.253 1.00 1.23 H new ATOM 0 HE2 HIS A 113 18.837 -9.615 19.806 1.00 43.11 H new ATOM 1701 N GLY A 114 15.938 -5.948 14.828 1.00 13.10 N ATOM 1702 CA GLY A 114 15.442 -5.751 13.478 1.00 31.34 C ATOM 1703 C GLY A 114 15.169 -7.060 12.765 1.00 74.33 C ATOM 1704 O GLY A 114 14.900 -8.079 13.402 1.00 43.03 O ATOM 0 H GLY A 114 15.978 -6.921 15.132 1.00 13.10 H new ATOM 0 HA2 GLY A 114 14.526 -5.162 13.513 1.00 31.34 H new ATOM 0 HA3 GLY A 114 16.170 -5.175 12.907 1.00 31.34 H new ATOM 1708 N VAL A 115 15.235 -7.034 11.437 1.00 11.03 N ATOM 1709 CA VAL A 115 14.992 -8.227 10.636 1.00 70.51 C ATOM 1710 C VAL A 115 15.826 -9.403 11.133 1.00 11.34 C ATOM 1711 O VAL A 115 17.021 -9.262 11.397 1.00 54.35 O ATOM 1712 CB VAL A 115 15.310 -7.980 9.149 1.00 13.43 C ATOM 1713 CG1 VAL A 115 15.174 -9.268 8.352 1.00 54.20 C ATOM 1714 CG2 VAL A 115 14.404 -6.895 8.585 1.00 62.41 C ATOM 0 H VAL A 115 15.455 -6.199 10.894 1.00 11.03 H new ATOM 0 HA VAL A 115 13.934 -8.466 10.739 1.00 70.51 H new ATOM 0 HB VAL A 115 16.342 -7.639 9.067 1.00 13.43 H new ATOM 0 HG11 VAL A 115 15.403 -9.073 7.304 1.00 54.20 H new ATOM 0 HG12 VAL A 115 15.868 -10.012 8.742 1.00 54.20 H new ATOM 0 HG13 VAL A 115 14.154 -9.643 8.437 1.00 54.20 H new ATOM 0 HG21 VAL A 115 14.642 -6.733 7.534 1.00 62.41 H new ATOM 0 HG22 VAL A 115 13.363 -7.205 8.678 1.00 62.41 H new ATOM 0 HG23 VAL A 115 14.557 -5.969 9.139 1.00 62.41 H new ATOM 1724 N ILE A 116 15.189 -10.562 11.260 1.00 54.23 N ATOM 1725 CA ILE A 116 15.872 -11.762 11.724 1.00 25.32 C ATOM 1726 C ILE A 116 15.509 -12.969 10.866 1.00 52.02 C ATOM 1727 O ILE A 116 15.979 -14.080 11.107 1.00 43.12 O ATOM 1728 CB ILE A 116 15.532 -12.071 13.194 1.00 1.12 C ATOM 1729 CG1 ILE A 116 14.032 -12.331 13.349 1.00 24.34 C ATOM 1730 CG2 ILE A 116 15.972 -10.924 14.092 1.00 53.23 C ATOM 1731 CD1 ILE A 116 13.631 -12.733 14.751 1.00 32.23 C ATOM 0 H ILE A 116 14.200 -10.695 11.048 1.00 54.23 H new ATOM 0 HA ILE A 116 16.941 -11.568 11.640 1.00 25.32 H new ATOM 0 HB ILE A 116 16.071 -12.969 13.495 1.00 1.12 H new ATOM 0 HG12 ILE A 116 13.484 -11.432 13.067 1.00 24.34 H new ATOM 0 HG13 ILE A 116 13.734 -13.117 12.655 1.00 24.34 H new ATOM 0 HG21 ILE A 116 15.725 -11.157 15.128 1.00 53.23 H new ATOM 0 HG22 ILE A 116 17.049 -10.782 13.999 1.00 53.23 H new ATOM 0 HG23 ILE A 116 15.458 -10.010 13.793 1.00 53.23 H new ATOM 0 HD11 ILE A 116 12.555 -12.901 14.787 1.00 32.23 H new ATOM 0 HD12 ILE A 116 14.151 -13.649 15.030 1.00 32.23 H new ATOM 0 HD13 ILE A 116 13.898 -11.938 15.448 1.00 32.23 H new ATOM 1743 N GLY A 117 14.669 -12.742 9.861 1.00 54.14 N ATOM 1744 CA GLY A 117 14.257 -13.819 8.980 1.00 62.42 C ATOM 1745 C GLY A 117 13.000 -13.484 8.201 1.00 24.25 C ATOM 1746 O GLY A 117 12.196 -12.658 8.634 1.00 5.21 O ATOM 0 H GLY A 117 14.266 -11.831 9.641 1.00 54.14 H new ATOM 0 HA2 GLY A 117 15.064 -14.042 8.282 1.00 62.42 H new ATOM 0 HA3 GLY A 117 14.086 -14.720 9.569 1.00 62.42 H new ATOM 1750 N ILE A 118 12.831 -14.125 7.050 1.00 70.11 N ATOM 1751 CA ILE A 118 11.663 -13.890 6.210 1.00 44.42 C ATOM 1752 C ILE A 118 10.820 -15.153 6.073 1.00 4.13 C ATOM 1753 O ILE A 118 11.226 -16.231 6.508 1.00 34.42 O ATOM 1754 CB ILE A 118 12.069 -13.402 4.806 1.00 31.41 C ATOM 1755 CG1 ILE A 118 13.151 -14.312 4.220 1.00 54.24 C ATOM 1756 CG2 ILE A 118 12.555 -11.962 4.865 1.00 31.03 C ATOM 1757 CD1 ILE A 118 13.565 -13.930 2.816 1.00 72.33 C ATOM 0 H ILE A 118 13.488 -14.811 6.678 1.00 70.11 H new ATOM 0 HA ILE A 118 11.073 -13.115 6.699 1.00 44.42 H new ATOM 0 HB ILE A 118 11.195 -13.443 4.156 1.00 31.41 H new ATOM 0 HG12 ILE A 118 14.027 -14.286 4.868 1.00 54.24 H new ATOM 0 HG13 ILE A 118 12.788 -15.340 4.216 1.00 54.24 H new ATOM 0 HG21 ILE A 118 12.838 -11.632 3.865 1.00 31.03 H new ATOM 0 HG22 ILE A 118 11.757 -11.324 5.245 1.00 31.03 H new ATOM 0 HG23 ILE A 118 13.419 -11.896 5.527 1.00 31.03 H new ATOM 0 HD11 ILE A 118 14.334 -14.617 2.464 1.00 72.33 H new ATOM 0 HD12 ILE A 118 12.700 -13.984 2.154 1.00 72.33 H new ATOM 0 HD13 ILE A 118 13.959 -12.914 2.817 1.00 72.33 H new ATOM 1769 N ILE A 119 9.647 -15.012 5.466 1.00 63.05 N ATOM 1770 CA ILE A 119 8.749 -16.143 5.269 1.00 13.30 C ATOM 1771 C ILE A 119 9.279 -17.086 4.195 1.00 72.04 C ATOM 1772 O ILE A 119 9.404 -16.710 3.029 1.00 70.05 O ATOM 1773 CB ILE A 119 7.335 -15.676 4.875 1.00 71.24 C ATOM 1774 CG1 ILE A 119 6.937 -14.441 5.685 1.00 43.32 C ATOM 1775 CG2 ILE A 119 6.329 -16.799 5.083 1.00 44.24 C ATOM 1776 CD1 ILE A 119 5.500 -14.018 5.476 1.00 41.33 C ATOM 0 H ILE A 119 9.296 -14.126 5.102 1.00 63.05 H new ATOM 0 HA ILE A 119 8.696 -16.674 6.220 1.00 13.30 H new ATOM 0 HB ILE A 119 7.339 -15.408 3.818 1.00 71.24 H new ATOM 0 HG12 ILE A 119 7.097 -14.644 6.744 1.00 43.32 H new ATOM 0 HG13 ILE A 119 7.594 -13.613 5.416 1.00 43.32 H new ATOM 0 HG21 ILE A 119 5.335 -16.454 4.800 1.00 44.24 H new ATOM 0 HG22 ILE A 119 6.605 -17.654 4.466 1.00 44.24 H new ATOM 0 HG23 ILE A 119 6.326 -17.095 6.132 1.00 44.24 H new ATOM 0 HD11 ILE A 119 5.288 -13.137 6.081 1.00 41.33 H new ATOM 0 HD12 ILE A 119 5.339 -13.783 4.424 1.00 41.33 H new ATOM 0 HD13 ILE A 119 4.835 -14.829 5.772 1.00 41.33 H new ATOM 1788 N THR A 120 9.588 -18.316 4.594 1.00 10.34 N ATOM 1789 CA THR A 120 10.104 -19.314 3.666 1.00 31.05 C ATOM 1790 C THR A 120 9.153 -20.500 3.550 1.00 52.44 C ATOM 1791 O THR A 120 9.191 -21.243 2.570 1.00 35.40 O ATOM 1792 CB THR A 120 11.490 -19.824 4.103 1.00 2.23 C ATOM 1793 OG1 THR A 120 11.975 -20.791 3.165 1.00 51.42 O ATOM 1794 CG2 THR A 120 11.426 -20.444 5.491 1.00 61.32 C ATOM 0 H THR A 120 9.490 -18.645 5.555 1.00 10.34 H new ATOM 0 HA THR A 120 10.194 -18.826 2.695 1.00 31.05 H new ATOM 0 HB THR A 120 12.172 -18.974 4.133 1.00 2.23 H new ATOM 0 HG1 THR A 120 12.857 -21.109 3.450 1.00 51.42 H new ATOM 0 HG21 THR A 120 12.417 -20.797 5.778 1.00 61.32 H new ATOM 0 HG22 THR A 120 11.085 -19.697 6.208 1.00 61.32 H new ATOM 0 HG23 THR A 120 10.730 -21.283 5.483 1.00 61.32 H new ATOM 1802 N ALA A 121 8.300 -20.669 4.555 1.00 61.43 N ATOM 1803 CA ALA A 121 7.337 -21.763 4.563 1.00 71.42 C ATOM 1804 C ALA A 121 6.119 -21.416 5.412 1.00 72.21 C ATOM 1805 O ALA A 121 6.102 -20.399 6.104 1.00 30.53 O ATOM 1806 CB ALA A 121 7.991 -23.039 5.072 1.00 24.11 C ATOM 0 H ALA A 121 8.256 -20.062 5.374 1.00 61.43 H new ATOM 0 HA ALA A 121 7.000 -21.924 3.539 1.00 71.42 H new ATOM 0 HB1 ALA A 121 7.260 -23.847 5.072 1.00 24.11 H new ATOM 0 HB2 ALA A 121 8.825 -23.304 4.422 1.00 24.11 H new ATOM 0 HB3 ALA A 121 8.357 -22.881 6.086 1.00 24.11 H new ATOM 1812 N GLY A 122 5.099 -22.268 5.353 1.00 65.11 N ATOM 1813 CA GLY A 122 3.891 -22.033 6.121 1.00 53.33 C ATOM 1814 C GLY A 122 3.131 -23.311 6.412 1.00 74.53 C ATOM 1815 O GLY A 122 3.319 -24.322 5.735 1.00 1.43 O ATOM 0 H GLY A 122 5.089 -23.116 4.787 1.00 65.11 H new ATOM 0 HA2 GLY A 122 4.151 -21.546 7.061 1.00 53.33 H new ATOM 0 HA3 GLY A 122 3.245 -21.346 5.575 1.00 53.33 H new ATOM 1819 N GLY A 123 2.269 -23.269 7.424 1.00 51.14 N ATOM 1820 CA GLY A 123 1.492 -24.440 7.786 1.00 1.11 C ATOM 1821 C GLY A 123 0.119 -24.082 8.321 1.00 64.34 C ATOM 1822 O GLY A 123 -0.298 -22.926 8.255 1.00 4.25 O ATOM 0 H GLY A 123 2.095 -22.445 7.999 1.00 51.14 H new ATOM 0 HA2 GLY A 123 1.382 -25.083 6.913 1.00 1.11 H new ATOM 0 HA3 GLY A 123 2.034 -25.013 8.538 1.00 1.11 H new ATOM 1826 N ASP A 124 -0.585 -25.077 8.849 1.00 54.22 N ATOM 1827 CA ASP A 124 -1.920 -24.862 9.396 1.00 2.41 C ATOM 1828 C ASP A 124 -1.852 -24.071 10.699 1.00 42.32 C ATOM 1829 O ASP A 124 -1.454 -24.598 11.737 1.00 44.53 O ATOM 1830 CB ASP A 124 -2.619 -26.201 9.634 1.00 23.12 C ATOM 1831 CG ASP A 124 -3.221 -26.773 8.366 1.00 31.21 C ATOM 1832 OD1 ASP A 124 -2.561 -26.697 7.308 1.00 21.45 O ATOM 1833 OD2 ASP A 124 -4.352 -27.298 8.431 1.00 14.43 O ATOM 0 H ASP A 124 -0.254 -26.040 8.910 1.00 54.22 H new ATOM 0 HA ASP A 124 -2.494 -24.285 8.671 1.00 2.41 H new ATOM 0 HB2 ASP A 124 -1.904 -26.913 10.046 1.00 23.12 H new ATOM 0 HB3 ASP A 124 -3.404 -26.070 10.379 1.00 23.12 H new ATOM 1838 N GLY A 125 -2.243 -22.801 10.636 1.00 63.32 N ATOM 1839 CA GLY A 125 -2.217 -21.958 11.816 1.00 12.25 C ATOM 1840 C GLY A 125 -0.807 -21.603 12.245 1.00 12.11 C ATOM 1841 O GLY A 125 -0.602 -21.023 13.312 1.00 32.00 O ATOM 0 H GLY A 125 -2.577 -22.342 9.789 1.00 63.32 H new ATOM 0 HA2 GLY A 125 -2.774 -21.043 11.617 1.00 12.25 H new ATOM 0 HA3 GLY A 125 -2.725 -22.468 12.634 1.00 12.25 H new ATOM 1845 N HIS A 126 0.169 -21.953 11.413 1.00 55.11 N ATOM 1846 CA HIS A 126 1.567 -21.669 11.712 1.00 4.53 C ATOM 1847 C HIS A 126 2.287 -21.126 10.481 1.00 22.22 C ATOM 1848 O HIS A 126 1.867 -21.364 9.349 1.00 53.32 O ATOM 1849 CB HIS A 126 2.270 -22.930 12.214 1.00 63.42 C ATOM 1850 CG HIS A 126 1.889 -23.313 13.611 1.00 64.22 C ATOM 1851 ND1 HIS A 126 2.756 -23.221 14.679 1.00 22.22 N ATOM 1852 CD2 HIS A 126 0.726 -23.790 14.112 1.00 11.31 C ATOM 1853 CE1 HIS A 126 2.143 -23.626 15.777 1.00 60.31 C ATOM 1854 NE2 HIS A 126 0.909 -23.976 15.460 1.00 24.31 N ATOM 0 H HIS A 126 0.017 -22.434 10.526 1.00 55.11 H new ATOM 0 HA HIS A 126 1.598 -20.910 12.493 1.00 4.53 H new ATOM 0 HB2 HIS A 126 2.037 -23.757 11.543 1.00 63.42 H new ATOM 0 HB3 HIS A 126 3.348 -22.777 12.169 1.00 63.42 H new ATOM 0 HD2 HIS A 126 -0.178 -23.988 13.555 1.00 11.31 H new ATOM 0 HE1 HIS A 126 2.577 -23.664 16.765 1.00 60.31 H new ATOM 0 HE2 HIS A 126 0.207 -24.327 16.111 1.00 24.31 H new ATOM 1862 N VAL A 127 3.374 -20.396 10.711 1.00 51.13 N ATOM 1863 CA VAL A 127 4.152 -19.820 9.621 1.00 42.04 C ATOM 1864 C VAL A 127 5.647 -19.996 9.860 1.00 64.41 C ATOM 1865 O VAL A 127 6.153 -19.696 10.941 1.00 60.11 O ATOM 1866 CB VAL A 127 3.845 -18.321 9.443 1.00 63.14 C ATOM 1867 CG1 VAL A 127 4.018 -17.580 10.760 1.00 72.51 C ATOM 1868 CG2 VAL A 127 4.733 -17.720 8.363 1.00 23.44 C ATOM 0 H VAL A 127 3.735 -20.190 11.642 1.00 51.13 H new ATOM 0 HA VAL A 127 3.867 -20.352 8.713 1.00 42.04 H new ATOM 0 HB VAL A 127 2.807 -18.216 9.128 1.00 63.14 H new ATOM 0 HG11 VAL A 127 3.797 -16.523 10.614 1.00 72.51 H new ATOM 0 HG12 VAL A 127 3.336 -17.994 11.503 1.00 72.51 H new ATOM 0 HG13 VAL A 127 5.045 -17.691 11.108 1.00 72.51 H new ATOM 0 HG21 VAL A 127 4.503 -16.661 8.250 1.00 23.44 H new ATOM 0 HG22 VAL A 127 5.779 -17.836 8.646 1.00 23.44 H new ATOM 0 HG23 VAL A 127 4.554 -18.233 7.418 1.00 23.44 H new ATOM 1878 N ALA A 128 6.350 -20.485 8.843 1.00 22.24 N ATOM 1879 CA ALA A 128 7.789 -20.699 8.942 1.00 34.41 C ATOM 1880 C ALA A 128 8.558 -19.426 8.605 1.00 34.42 C ATOM 1881 O ALA A 128 8.066 -18.568 7.873 1.00 51.44 O ATOM 1882 CB ALA A 128 8.217 -21.835 8.025 1.00 22.52 C ATOM 0 H ALA A 128 5.947 -20.740 7.942 1.00 22.24 H new ATOM 0 HA ALA A 128 8.021 -20.970 9.972 1.00 34.41 H new ATOM 0 HB1 ALA A 128 9.293 -21.984 8.109 1.00 22.52 H new ATOM 0 HB2 ALA A 128 7.700 -22.750 8.314 1.00 22.52 H new ATOM 0 HB3 ALA A 128 7.964 -21.586 6.994 1.00 22.52 H new ATOM 1888 N PHE A 129 9.766 -19.311 9.145 1.00 44.51 N ATOM 1889 CA PHE A 129 10.603 -18.141 8.903 1.00 51.14 C ATOM 1890 C PHE A 129 12.075 -18.533 8.818 1.00 21.23 C ATOM 1891 O PHE A 129 12.635 -19.096 9.760 1.00 42.03 O ATOM 1892 CB PHE A 129 10.402 -17.105 10.011 1.00 21.51 C ATOM 1893 CG PHE A 129 9.254 -16.171 9.758 1.00 74.23 C ATOM 1894 CD1 PHE A 129 7.977 -16.488 10.192 1.00 74.34 C ATOM 1895 CD2 PHE A 129 9.451 -14.976 9.085 1.00 1.01 C ATOM 1896 CE1 PHE A 129 6.918 -15.631 9.960 1.00 14.44 C ATOM 1897 CE2 PHE A 129 8.396 -14.114 8.851 1.00 22.25 C ATOM 1898 CZ PHE A 129 7.128 -14.442 9.289 1.00 73.55 C ATOM 0 H PHE A 129 10.188 -20.013 9.753 1.00 44.51 H new ATOM 0 HA PHE A 129 10.306 -17.704 7.949 1.00 51.14 H new ATOM 0 HB2 PHE A 129 10.237 -17.623 10.956 1.00 21.51 H new ATOM 0 HB3 PHE A 129 11.316 -16.522 10.122 1.00 21.51 H new ATOM 0 HD1 PHE A 129 7.807 -17.416 10.718 1.00 74.34 H new ATOM 0 HD2 PHE A 129 10.440 -14.715 8.739 1.00 1.01 H new ATOM 0 HE1 PHE A 129 5.927 -15.891 10.303 1.00 14.44 H new ATOM 0 HE2 PHE A 129 8.563 -13.185 8.326 1.00 22.25 H new ATOM 0 HZ PHE A 129 6.302 -13.770 9.107 1.00 73.55 H new ATOM 1908 N THR A 130 12.698 -18.232 7.683 1.00 75.44 N ATOM 1909 CA THR A 130 14.103 -18.554 7.473 1.00 24.31 C ATOM 1910 C THR A 130 15.008 -17.559 8.191 1.00 22.50 C ATOM 1911 O THR A 130 14.995 -16.365 7.891 1.00 31.53 O ATOM 1912 CB THR A 130 14.460 -18.566 5.975 1.00 73.24 C ATOM 1913 OG1 THR A 130 15.862 -18.800 5.806 1.00 4.44 O ATOM 1914 CG2 THR A 130 14.077 -17.249 5.317 1.00 42.11 C ATOM 0 H THR A 130 12.250 -17.765 6.894 1.00 75.44 H new ATOM 0 HA THR A 130 14.263 -19.551 7.885 1.00 24.31 H new ATOM 0 HB THR A 130 13.899 -19.369 5.497 1.00 73.24 H new ATOM 0 HG1 THR A 130 16.080 -18.807 4.850 1.00 4.44 H new ATOM 0 HG21 THR A 130 14.339 -17.281 4.259 1.00 42.11 H new ATOM 0 HG22 THR A 130 13.004 -17.089 5.421 1.00 42.11 H new ATOM 0 HG23 THR A 130 14.614 -16.432 5.799 1.00 42.11 H new ATOM 1922 N ASP A 131 15.793 -18.059 9.139 1.00 4.42 N ATOM 1923 CA ASP A 131 16.707 -17.213 9.899 1.00 32.11 C ATOM 1924 C ASP A 131 17.752 -16.583 8.984 1.00 24.12 C ATOM 1925 O ASP A 131 18.522 -17.285 8.328 1.00 65.53 O ATOM 1926 CB ASP A 131 17.395 -18.026 10.996 1.00 31.45 C ATOM 1927 CG ASP A 131 17.661 -17.207 12.244 1.00 71.01 C ATOM 1928 OD1 ASP A 131 17.840 -15.978 12.119 1.00 40.33 O ATOM 1929 OD2 ASP A 131 17.691 -17.795 13.345 1.00 32.24 O ATOM 0 H ASP A 131 15.815 -19.045 9.400 1.00 4.42 H new ATOM 0 HA ASP A 131 16.126 -16.415 10.360 1.00 32.11 H new ATOM 0 HB2 ASP A 131 16.773 -18.883 11.253 1.00 31.45 H new ATOM 0 HB3 ASP A 131 18.338 -18.419 10.615 1.00 31.45 H new ATOM 1934 N LEU A 132 17.773 -15.255 8.945 1.00 65.53 N ATOM 1935 CA LEU A 132 18.724 -14.530 8.109 1.00 0.11 C ATOM 1936 C LEU A 132 20.086 -14.435 8.790 1.00 14.20 C ATOM 1937 O LEU A 132 21.080 -14.067 8.164 1.00 73.45 O ATOM 1938 CB LEU A 132 18.196 -13.128 7.801 1.00 11.33 C ATOM 1939 CG LEU A 132 17.642 -12.913 6.392 1.00 23.32 C ATOM 1940 CD1 LEU A 132 16.629 -13.994 6.047 1.00 44.24 C ATOM 1941 CD2 LEU A 132 17.014 -11.532 6.270 1.00 24.52 C ATOM 0 H LEU A 132 17.143 -14.659 9.482 1.00 65.53 H new ATOM 0 HA LEU A 132 18.843 -15.080 7.176 1.00 0.11 H new ATOM 0 HB2 LEU A 132 17.410 -12.892 8.518 1.00 11.33 H new ATOM 0 HB3 LEU A 132 19.003 -12.414 7.965 1.00 11.33 H new ATOM 0 HG LEU A 132 18.468 -12.978 5.684 1.00 23.32 H new ATOM 0 HD11 LEU A 132 16.245 -13.825 5.041 1.00 44.24 H new ATOM 0 HD12 LEU A 132 17.110 -14.971 6.093 1.00 44.24 H new ATOM 0 HD13 LEU A 132 15.805 -13.961 6.760 1.00 44.24 H new ATOM 0 HD21 LEU A 132 16.625 -11.397 5.261 1.00 24.52 H new ATOM 0 HD22 LEU A 132 16.199 -11.438 6.988 1.00 24.52 H new ATOM 0 HD23 LEU A 132 17.767 -10.771 6.474 1.00 24.52 H new ATOM 1953 N ARG A 133 20.123 -14.770 10.075 1.00 23.25 N ATOM 1954 CA ARG A 133 21.363 -14.724 10.841 1.00 1.52 C ATOM 1955 C ARG A 133 22.485 -15.449 10.104 1.00 30.21 C ATOM 1956 O ARG A 133 23.518 -14.869 9.770 1.00 61.14 O ATOM 1957 CB ARG A 133 21.158 -15.348 12.222 1.00 23.34 C ATOM 1958 CG ARG A 133 21.421 -14.388 13.371 1.00 42.35 C ATOM 1959 CD ARG A 133 20.813 -14.892 14.670 1.00 60.53 C ATOM 1960 NE ARG A 133 21.087 -16.310 14.888 1.00 63.32 N ATOM 1961 CZ ARG A 133 22.268 -16.779 15.277 1.00 72.13 C ATOM 1962 NH1 ARG A 133 23.278 -15.947 15.489 1.00 12.04 N ATOM 1963 NH2 ARG A 133 22.440 -18.083 15.454 1.00 55.20 N ATOM 0 H ARG A 133 19.309 -15.076 10.608 1.00 23.25 H new ATOM 0 HA ARG A 133 21.648 -13.679 10.961 1.00 1.52 H new ATOM 0 HB2 ARG A 133 20.135 -15.718 12.296 1.00 23.34 H new ATOM 0 HB3 ARG A 133 21.817 -16.211 12.323 1.00 23.34 H new ATOM 0 HG2 ARG A 133 22.496 -14.257 13.498 1.00 42.35 H new ATOM 0 HG3 ARG A 133 21.007 -13.409 13.130 1.00 42.35 H new ATOM 0 HD2 ARG A 133 21.210 -14.314 15.504 1.00 60.53 H new ATOM 0 HD3 ARG A 133 19.735 -14.729 14.653 1.00 60.53 H new ATOM 0 HE ARG A 133 20.331 -16.977 14.733 1.00 63.32 H new ATOM 0 HH11 ARG A 133 23.150 -14.944 15.354 1.00 12.04 H new ATOM 0 HH12 ARG A 133 24.183 -16.310 15.788 1.00 12.04 H new ATOM 0 HH21 ARG A 133 21.665 -18.726 15.291 1.00 55.20 H new ATOM 0 HH22 ARG A 133 23.347 -18.442 15.753 1.00 55.20 H new ATOM 1977 N PRO A 134 22.279 -16.749 9.845 1.00 41.01 N ATOM 1978 CA PRO A 134 23.262 -17.582 9.145 1.00 14.11 C ATOM 1979 C PRO A 134 23.394 -17.209 7.673 1.00 42.44 C ATOM 1980 O PRO A 134 24.280 -17.702 6.974 1.00 21.24 O ATOM 1981 CB PRO A 134 22.694 -18.996 9.289 1.00 24.31 C ATOM 1982 CG PRO A 134 21.228 -18.800 9.466 1.00 22.33 C ATOM 1983 CD PRO A 134 21.071 -17.506 10.215 1.00 40.54 C ATOM 0 HA PRO A 134 24.264 -17.466 9.559 1.00 14.11 H new ATOM 0 HB2 PRO A 134 22.909 -19.600 8.408 1.00 24.31 H new ATOM 0 HB3 PRO A 134 23.130 -19.513 10.144 1.00 24.31 H new ATOM 0 HG2 PRO A 134 20.721 -18.757 8.502 1.00 22.33 H new ATOM 0 HG3 PRO A 134 20.788 -19.628 10.021 1.00 22.33 H new ATOM 0 HD2 PRO A 134 20.162 -16.980 9.923 1.00 40.54 H new ATOM 0 HD3 PRO A 134 21.013 -17.669 11.291 1.00 40.54 H new ATOM 1991 N TYR A 135 22.509 -16.334 7.207 1.00 61.52 N ATOM 1992 CA TYR A 135 22.526 -15.897 5.816 1.00 4.52 C ATOM 1993 C TYR A 135 23.193 -14.530 5.684 1.00 73.55 C ATOM 1994 O TYR A 135 22.992 -13.823 4.697 1.00 25.21 O ATOM 1995 CB TYR A 135 21.103 -15.838 5.260 1.00 34.13 C ATOM 1996 CG TYR A 135 20.670 -17.111 4.568 1.00 43.44 C ATOM 1997 CD1 TYR A 135 21.362 -17.593 3.463 1.00 1.02 C ATOM 1998 CD2 TYR A 135 19.570 -17.830 5.017 1.00 71.15 C ATOM 1999 CE1 TYR A 135 20.971 -18.755 2.827 1.00 55.24 C ATOM 2000 CE2 TYR A 135 19.172 -18.994 4.387 1.00 0.31 C ATOM 2001 CZ TYR A 135 19.875 -19.452 3.293 1.00 43.24 C ATOM 2002 OH TYR A 135 19.481 -20.610 2.662 1.00 43.31 O ATOM 0 H TYR A 135 21.771 -15.914 7.772 1.00 61.52 H new ATOM 0 HA TYR A 135 23.103 -16.621 5.241 1.00 4.52 H new ATOM 0 HB2 TYR A 135 20.412 -15.624 6.075 1.00 34.13 H new ATOM 0 HB3 TYR A 135 21.031 -15.009 4.556 1.00 34.13 H new ATOM 0 HD1 TYR A 135 22.220 -17.050 3.096 1.00 1.02 H new ATOM 0 HD2 TYR A 135 19.016 -17.474 5.873 1.00 71.15 H new ATOM 0 HE1 TYR A 135 21.520 -19.116 1.970 1.00 55.24 H new ATOM 0 HE2 TYR A 135 18.315 -19.542 4.750 1.00 0.31 H new ATOM 0 HH TYR A 135 19.727 -20.566 1.714 1.00 43.31 H new ATOM 2012 N ASN A 136 23.987 -14.167 6.685 1.00 12.03 N ATOM 2013 CA ASN A 136 24.684 -12.886 6.682 1.00 52.10 C ATOM 2014 C ASN A 136 26.012 -12.987 7.425 1.00 22.45 C ATOM 2015 O ASN A 136 26.256 -13.951 8.153 1.00 53.40 O ATOM 2016 CB ASN A 136 23.810 -11.805 7.321 1.00 1.41 C ATOM 2017 CG ASN A 136 24.062 -11.663 8.810 1.00 74.40 C ATOM 2018 OD1 ASN A 136 23.387 -12.291 9.627 1.00 41.51 O ATOM 2019 ND2 ASN A 136 25.036 -10.836 9.169 1.00 23.33 N ATOM 0 H ASN A 136 24.164 -14.742 7.509 1.00 12.03 H new ATOM 0 HA ASN A 136 24.888 -12.614 5.646 1.00 52.10 H new ATOM 0 HB2 ASN A 136 24.001 -10.851 6.830 1.00 1.41 H new ATOM 0 HB3 ASN A 136 22.760 -12.045 7.154 1.00 1.41 H new ATOM 0 HD21 ASN A 136 25.251 -10.700 10.157 1.00 23.33 H new ATOM 0 HD22 ASN A 136 25.569 -10.337 8.457 1.00 23.33 H new ATOM 2026 N ILE A 137 26.867 -11.987 7.238 1.00 72.42 N ATOM 2027 CA ILE A 137 28.169 -11.963 7.892 1.00 62.41 C ATOM 2028 C ILE A 137 28.037 -11.597 9.366 1.00 22.33 C ATOM 2029 O ILE A 137 28.405 -10.497 9.780 1.00 72.50 O ATOM 2030 CB ILE A 137 29.123 -10.965 7.210 1.00 2.10 C ATOM 2031 CG1 ILE A 137 29.128 -11.184 5.696 1.00 43.33 C ATOM 2032 CG2 ILE A 137 30.529 -11.105 7.776 1.00 54.34 C ATOM 2033 CD1 ILE A 137 29.669 -12.535 5.282 1.00 12.32 C ATOM 0 H ILE A 137 26.681 -11.183 6.639 1.00 72.42 H new ATOM 0 HA ILE A 137 28.584 -12.967 7.805 1.00 62.41 H new ATOM 0 HB ILE A 137 28.771 -9.953 7.410 1.00 2.10 H new ATOM 0 HG12 ILE A 137 28.111 -11.078 5.318 1.00 43.33 H new ATOM 0 HG13 ILE A 137 29.726 -10.403 5.226 1.00 43.33 H new ATOM 0 HG21 ILE A 137 31.192 -10.393 7.284 1.00 54.34 H new ATOM 0 HG22 ILE A 137 30.512 -10.904 8.847 1.00 54.34 H new ATOM 0 HG23 ILE A 137 30.892 -12.118 7.603 1.00 54.34 H new ATOM 0 HD11 ILE A 137 29.642 -12.620 4.196 1.00 12.32 H new ATOM 0 HD12 ILE A 137 30.697 -12.637 5.629 1.00 12.32 H new ATOM 0 HD13 ILE A 137 29.058 -13.322 5.723 1.00 12.32 H new ATOM 2045 N LYS A 138 27.511 -12.527 10.156 1.00 25.33 N ATOM 2046 CA LYS A 138 27.333 -12.306 11.586 1.00 2.44 C ATOM 2047 C LYS A 138 28.634 -11.836 12.230 1.00 13.14 C ATOM 2048 O LYS A 138 28.619 -11.059 13.185 1.00 63.22 O ATOM 2049 CB LYS A 138 26.849 -13.589 12.266 1.00 45.41 C ATOM 2050 CG LYS A 138 27.617 -14.829 11.840 1.00 14.45 C ATOM 2051 CD LYS A 138 28.041 -15.661 13.039 1.00 12.42 C ATOM 2052 CE LYS A 138 28.477 -17.057 12.622 1.00 14.14 C ATOM 2053 NZ LYS A 138 29.955 -17.154 12.470 1.00 73.14 N ATOM 0 H LYS A 138 27.200 -13.442 9.829 1.00 25.33 H new ATOM 0 HA LYS A 138 26.581 -11.528 11.717 1.00 2.44 H new ATOM 0 HB2 LYS A 138 26.934 -13.472 13.346 1.00 45.41 H new ATOM 0 HB3 LYS A 138 25.792 -13.732 12.043 1.00 45.41 H new ATOM 0 HG2 LYS A 138 26.997 -15.433 11.178 1.00 14.45 H new ATOM 0 HG3 LYS A 138 28.498 -14.535 11.270 1.00 14.45 H new ATOM 0 HD2 LYS A 138 28.860 -15.163 13.558 1.00 12.42 H new ATOM 0 HD3 LYS A 138 27.213 -15.733 13.745 1.00 12.42 H new ATOM 0 HE2 LYS A 138 28.140 -17.780 13.365 1.00 14.14 H new ATOM 0 HE3 LYS A 138 27.997 -17.321 11.680 1.00 14.14 H new ATOM 0 HZ1 LYS A 138 30.212 -18.121 12.185 1.00 73.14 H new ATOM 0 HZ2 LYS A 138 30.274 -16.482 11.743 1.00 73.14 H new ATOM 0 HZ3 LYS A 138 30.413 -16.927 13.376 1.00 73.14 H new