USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 1.06 F(o=-0.062,f=1.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=-0.59) USER MOD Single : A 7 TYR OH : rot 80:sc= -1.89 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0222 (180deg=-0.191) USER MOD Single : A 15 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-1.4) USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 24 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.52) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 121:sc= -0.358 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.34 K(o=-1.3,f=-11!) USER MOD Single : A 54 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 55 ASN :FLIP amide:sc= 0.385 F(o=-0.22,f=0.38) USER MOD Single : A 61 ASN : amide:sc= -0.962 K(o=-0.96,f=-1.6) USER MOD Single : A 62 SER OG : rot -92:sc= 1.18 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 89 GLN : amide:sc=-0.00151 X(o=-0.0015,f=-0.034) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 101 ASN : amide:sc= -1.13 K(o=-1.1,f=-2) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.512 1.870 -4.858 1.00 25.04 N ATOM 2 CA GLY A 1 0.902 0.566 -4.354 1.00 34.21 C ATOM 3 C GLY A 1 2.396 0.331 -4.447 1.00 22.31 C ATOM 4 O GLY A 1 2.857 -0.456 -5.273 1.00 21.25 O ATOM 0 H1 GLY A 1 -0.518 1.981 -4.772 1.00 25.04 H new ATOM 0 H2 GLY A 1 0.988 2.612 -4.306 1.00 25.04 H new ATOM 0 H3 GLY A 1 0.787 1.952 -5.858 1.00 25.04 H new ATOM 0 HA2 GLY A 1 0.587 0.473 -3.315 1.00 34.21 H new ATOM 0 HA3 GLY A 1 0.380 -0.208 -4.916 1.00 34.21 H new ATOM 8 N ASN A 2 3.155 1.016 -3.598 1.00 44.45 N ATOM 9 CA ASN A 2 4.607 0.880 -3.590 1.00 64.11 C ATOM 10 C ASN A 2 5.022 -0.486 -3.051 1.00 43.13 C ATOM 11 O ASN A 2 4.549 -0.920 -2.002 1.00 34.55 O ATOM 12 CB ASN A 2 5.240 1.988 -2.745 1.00 72.51 C ATOM 13 CG ASN A 2 6.537 2.499 -3.340 1.00 44.32 C ATOM 14 OD1 ASN A 2 7.573 2.520 -2.675 1.00 31.03 O ATOM 15 ND2 ASN A 2 6.487 2.916 -4.600 1.00 74.32 N ATOM 0 H ASN A 2 2.789 1.671 -2.907 1.00 44.45 H new ATOM 0 HA ASN A 2 4.961 0.969 -4.617 1.00 64.11 H new ATOM 0 HB2 ASN A 2 4.537 2.815 -2.649 1.00 72.51 H new ATOM 0 HB3 ASN A 2 5.428 1.612 -1.739 1.00 72.51 H new ATOM 0 HD21 ASN A 2 7.329 3.271 -5.053 1.00 74.32 H new ATOM 0 HD22 ASN A 2 5.607 2.881 -5.114 1.00 74.32 H new ATOM 22 N SER A 3 5.910 -1.157 -3.777 1.00 64.51 N ATOM 23 CA SER A 3 6.387 -2.475 -3.374 1.00 62.31 C ATOM 24 C SER A 3 7.884 -2.615 -3.636 1.00 73.13 C ATOM 25 O SER A 3 8.386 -3.718 -3.853 1.00 54.43 O ATOM 26 CB SER A 3 5.623 -3.569 -4.123 1.00 15.42 C ATOM 27 OG SER A 3 4.249 -3.241 -4.240 1.00 33.35 O ATOM 0 H SER A 3 6.314 -0.810 -4.647 1.00 64.51 H new ATOM 0 HA SER A 3 6.211 -2.586 -2.304 1.00 62.31 H new ATOM 0 HB2 SER A 3 6.054 -3.704 -5.115 1.00 15.42 H new ATOM 0 HB3 SER A 3 5.730 -4.518 -3.597 1.00 15.42 H new ATOM 0 HG SER A 3 3.782 -3.954 -4.723 1.00 33.35 H new ATOM 33 N GLN A 4 8.590 -1.489 -3.614 1.00 74.12 N ATOM 34 CA GLN A 4 10.028 -1.485 -3.850 1.00 65.52 C ATOM 35 C GLN A 4 10.791 -1.819 -2.572 1.00 14.42 C ATOM 36 O GLN A 4 10.817 -1.026 -1.629 1.00 62.45 O ATOM 37 CB GLN A 4 10.476 -0.124 -4.384 1.00 55.44 C ATOM 38 CG GLN A 4 10.047 1.043 -3.510 1.00 3.55 C ATOM 39 CD GLN A 4 11.224 1.836 -2.977 1.00 5.32 C ATOM 40 OE1 GLN A 4 11.584 2.906 -3.677 1.00 33.31 O flip ATOM 41 NE2 GLN A 4 11.805 1.492 -1.947 1.00 61.54 N flip ATOM 0 H GLN A 4 8.189 -0.568 -3.435 1.00 74.12 H new ATOM 0 HA GLN A 4 10.250 -2.250 -4.594 1.00 65.52 H new ATOM 0 HB2 GLN A 4 11.562 -0.119 -4.476 1.00 55.44 H new ATOM 0 HB3 GLN A 4 10.071 0.015 -5.386 1.00 55.44 H new ATOM 0 HG2 GLN A 4 9.399 1.704 -4.085 1.00 3.55 H new ATOM 0 HG3 GLN A 4 9.458 0.668 -2.673 1.00 3.55 H new ATOM 0 HE21 GLN A 4 11.496 0.663 -1.440 1.00 61.54 H new ATOM 0 HE22 GLN A 4 12.595 2.036 -1.601 1.00 61.54 H new ATOM 50 N ILE A 5 11.408 -2.995 -2.547 1.00 3.34 N ATOM 51 CA ILE A 5 12.171 -3.432 -1.384 1.00 43.50 C ATOM 52 C ILE A 5 13.511 -4.031 -1.799 1.00 35.20 C ATOM 53 O ILE A 5 13.609 -4.708 -2.823 1.00 45.43 O ATOM 54 CB ILE A 5 11.391 -4.470 -0.556 1.00 40.23 C ATOM 55 CG1 ILE A 5 9.961 -3.986 -0.309 1.00 34.41 C ATOM 56 CG2 ILE A 5 12.101 -4.738 0.762 1.00 11.34 C ATOM 57 CD1 ILE A 5 9.884 -2.726 0.524 1.00 63.00 C ATOM 0 H ILE A 5 11.395 -3.662 -3.318 1.00 3.34 H new ATOM 0 HA ILE A 5 12.345 -2.548 -0.771 1.00 43.50 H new ATOM 0 HB ILE A 5 11.347 -5.403 -1.118 1.00 40.23 H new ATOM 0 HG12 ILE A 5 9.476 -3.807 -1.269 1.00 34.41 H new ATOM 0 HG13 ILE A 5 9.400 -4.776 0.190 1.00 34.41 H new ATOM 0 HG21 ILE A 5 11.537 -5.474 1.336 1.00 11.34 H new ATOM 0 HG22 ILE A 5 13.102 -5.121 0.565 1.00 11.34 H new ATOM 0 HG23 ILE A 5 12.173 -3.811 1.331 1.00 11.34 H new ATOM 0 HD11 ILE A 5 8.840 -2.442 0.658 1.00 63.00 H new ATOM 0 HD12 ILE A 5 10.340 -2.905 1.498 1.00 63.00 H new ATOM 0 HD13 ILE A 5 10.417 -1.921 0.017 1.00 63.00 H new ATOM 69 N HIS A 6 14.539 -3.780 -0.996 1.00 25.23 N ATOM 70 CA HIS A 6 15.874 -4.297 -1.278 1.00 73.50 C ATOM 71 C HIS A 6 16.549 -4.785 0.000 1.00 3.43 C ATOM 72 O HIS A 6 16.246 -4.308 1.095 1.00 63.35 O ATOM 73 CB HIS A 6 16.731 -3.220 -1.943 1.00 61.42 C ATOM 74 CG HIS A 6 16.872 -1.976 -1.122 1.00 44.43 C ATOM 75 ND1 HIS A 6 15.838 -1.086 -0.920 1.00 22.34 N ATOM 76 CD2 HIS A 6 17.935 -1.475 -0.450 1.00 13.43 C ATOM 77 CE1 HIS A 6 16.259 -0.091 -0.159 1.00 72.24 C ATOM 78 NE2 HIS A 6 17.528 -0.303 0.140 1.00 33.20 N ATOM 0 H HIS A 6 14.474 -3.222 -0.145 1.00 25.23 H new ATOM 0 HA HIS A 6 15.773 -5.142 -1.959 1.00 73.50 H new ATOM 0 HB2 HIS A 6 17.722 -3.628 -2.143 1.00 61.42 H new ATOM 0 HB3 HIS A 6 16.292 -2.962 -2.907 1.00 61.42 H new ATOM 0 HD2 HIS A 6 18.920 -1.915 -0.389 1.00 13.43 H new ATOM 0 HE1 HIS A 6 15.666 0.752 0.164 1.00 72.24 H new ATOM 0 HE2 HIS A 6 18.111 0.305 0.715 1.00 33.20 H new ATOM 86 N TYR A 7 17.465 -5.736 -0.146 1.00 34.12 N ATOM 87 CA TYR A 7 18.181 -6.290 0.997 1.00 15.12 C ATOM 88 C TYR A 7 19.689 -6.242 0.771 1.00 75.01 C ATOM 89 O TYR A 7 20.154 -6.143 -0.364 1.00 64.42 O ATOM 90 CB TYR A 7 17.738 -7.731 1.253 1.00 35.44 C ATOM 91 CG TYR A 7 16.241 -7.929 1.170 1.00 52.13 C ATOM 92 CD1 TYR A 7 15.367 -7.035 1.776 1.00 41.23 C ATOM 93 CD2 TYR A 7 15.700 -9.010 0.483 1.00 4.53 C ATOM 94 CE1 TYR A 7 13.999 -7.212 1.702 1.00 1.14 C ATOM 95 CE2 TYR A 7 14.334 -9.194 0.403 1.00 14.25 C ATOM 96 CZ TYR A 7 13.487 -8.293 1.015 1.00 2.40 C ATOM 97 OH TYR A 7 12.125 -8.472 0.938 1.00 10.24 O ATOM 0 H TYR A 7 17.729 -6.139 -1.045 1.00 34.12 H new ATOM 0 HA TYR A 7 17.944 -5.683 1.871 1.00 15.12 H new ATOM 0 HB2 TYR A 7 18.223 -8.385 0.529 1.00 35.44 H new ATOM 0 HB3 TYR A 7 18.082 -8.038 2.241 1.00 35.44 H new ATOM 0 HD1 TYR A 7 15.764 -6.187 2.314 1.00 41.23 H new ATOM 0 HD2 TYR A 7 16.360 -9.718 0.004 1.00 4.53 H new ATOM 0 HE1 TYR A 7 13.334 -6.508 2.180 1.00 1.14 H new ATOM 0 HE2 TYR A 7 13.931 -10.039 -0.136 1.00 14.25 H new ATOM 0 HH TYR A 7 11.757 -7.886 0.244 1.00 10.24 H new ATOM 107 N SER A 8 20.446 -6.313 1.861 1.00 64.44 N ATOM 108 CA SER A 8 21.902 -6.275 1.783 1.00 0.01 C ATOM 109 C SER A 8 22.501 -7.634 2.133 1.00 13.00 C ATOM 110 O SER A 8 22.225 -8.190 3.196 1.00 21.44 O ATOM 111 CB SER A 8 22.456 -5.203 2.724 1.00 32.52 C ATOM 112 OG SER A 8 23.042 -4.139 1.996 1.00 43.31 O ATOM 0 H SER A 8 20.076 -6.397 2.808 1.00 64.44 H new ATOM 0 HA SER A 8 22.180 -6.028 0.758 1.00 0.01 H new ATOM 0 HB2 SER A 8 21.654 -4.818 3.354 1.00 32.52 H new ATOM 0 HB3 SER A 8 23.199 -5.646 3.388 1.00 32.52 H new ATOM 0 HG SER A 8 23.387 -3.467 2.620 1.00 43.31 H new ATOM 118 N ILE A 9 23.321 -8.162 1.231 1.00 73.12 N ATOM 119 CA ILE A 9 23.959 -9.455 1.444 1.00 45.22 C ATOM 120 C ILE A 9 25.400 -9.445 0.945 1.00 43.13 C ATOM 121 O ILE A 9 25.687 -9.074 -0.194 1.00 14.32 O ATOM 122 CB ILE A 9 23.191 -10.586 0.736 1.00 34.20 C ATOM 123 CG1 ILE A 9 23.989 -11.890 0.796 1.00 41.03 C ATOM 124 CG2 ILE A 9 22.896 -10.204 -0.707 1.00 23.40 C ATOM 125 CD1 ILE A 9 23.298 -13.053 0.120 1.00 72.41 C ATOM 0 H ILE A 9 23.559 -7.715 0.346 1.00 73.12 H new ATOM 0 HA ILE A 9 23.949 -9.638 2.518 1.00 45.22 H new ATOM 0 HB ILE A 9 22.243 -10.739 1.251 1.00 34.20 H new ATOM 0 HG12 ILE A 9 24.961 -11.734 0.328 1.00 41.03 H new ATOM 0 HG13 ILE A 9 24.175 -12.145 1.839 1.00 41.03 H new ATOM 0 HG21 ILE A 9 22.353 -11.014 -1.194 1.00 23.40 H new ATOM 0 HG22 ILE A 9 22.291 -9.298 -0.727 1.00 23.40 H new ATOM 0 HG23 ILE A 9 23.833 -10.027 -1.235 1.00 23.40 H new ATOM 0 HD11 ILE A 9 23.921 -13.944 0.202 1.00 72.41 H new ATOM 0 HD12 ILE A 9 22.338 -13.236 0.603 1.00 72.41 H new ATOM 0 HD13 ILE A 9 23.136 -12.818 -0.932 1.00 72.41 H new ATOM 137 N PRO A 10 26.331 -9.864 1.815 1.00 71.31 N ATOM 138 CA PRO A 10 27.758 -9.916 1.484 1.00 1.52 C ATOM 139 C PRO A 10 28.079 -11.005 0.466 1.00 15.24 C ATOM 140 O PRO A 10 27.607 -12.135 0.585 1.00 71.11 O ATOM 141 CB PRO A 10 28.422 -10.227 2.828 1.00 45.13 C ATOM 142 CG PRO A 10 27.370 -10.925 3.618 1.00 10.51 C ATOM 143 CD PRO A 10 26.061 -10.321 3.189 1.00 63.14 C ATOM 0 HA PRO A 10 28.104 -8.989 1.026 1.00 1.52 H new ATOM 0 HB2 PRO A 10 29.302 -10.856 2.698 1.00 45.13 H new ATOM 0 HB3 PRO A 10 28.752 -9.316 3.327 1.00 45.13 H new ATOM 0 HG2 PRO A 10 27.386 -11.998 3.427 1.00 10.51 H new ATOM 0 HG3 PRO A 10 27.531 -10.789 4.688 1.00 10.51 H new ATOM 0 HD2 PRO A 10 25.253 -11.051 3.218 1.00 63.14 H new ATOM 0 HD3 PRO A 10 25.768 -9.495 3.837 1.00 63.14 H new ATOM 151 N GLU A 11 28.883 -10.657 -0.533 1.00 3.52 N ATOM 152 CA GLU A 11 29.266 -11.606 -1.571 1.00 73.12 C ATOM 153 C GLU A 11 29.786 -12.903 -0.958 1.00 3.23 C ATOM 154 O GLU A 11 30.425 -12.891 0.094 1.00 15.32 O ATOM 155 CB GLU A 11 30.332 -10.996 -2.483 1.00 63.43 C ATOM 156 CG GLU A 11 31.755 -11.296 -2.041 1.00 72.34 C ATOM 157 CD GLU A 11 32.793 -10.661 -2.946 1.00 71.42 C ATOM 158 OE1 GLU A 11 32.432 -9.741 -3.709 1.00 64.34 O ATOM 159 OE2 GLU A 11 33.966 -11.085 -2.890 1.00 64.23 O ATOM 0 H GLU A 11 29.282 -9.725 -0.646 1.00 3.52 H new ATOM 0 HA GLU A 11 28.380 -11.835 -2.163 1.00 73.12 H new ATOM 0 HB2 GLU A 11 30.189 -11.371 -3.497 1.00 63.43 H new ATOM 0 HB3 GLU A 11 30.192 -9.916 -2.520 1.00 63.43 H new ATOM 0 HG2 GLU A 11 31.898 -10.937 -1.022 1.00 72.34 H new ATOM 0 HG3 GLU A 11 31.906 -12.375 -2.023 1.00 72.34 H new ATOM 166 N GLU A 12 29.508 -14.019 -1.624 1.00 33.25 N ATOM 167 CA GLU A 12 29.947 -15.324 -1.143 1.00 34.11 C ATOM 168 C GLU A 12 29.290 -15.661 0.193 1.00 73.24 C ATOM 169 O GLU A 12 29.816 -16.454 0.973 1.00 61.25 O ATOM 170 CB GLU A 12 31.469 -15.353 -0.996 1.00 44.43 C ATOM 171 CG GLU A 12 32.066 -16.746 -1.109 1.00 11.51 C ATOM 172 CD GLU A 12 32.711 -17.210 0.182 1.00 21.03 C ATOM 173 OE1 GLU A 12 33.362 -16.382 0.852 1.00 5.32 O ATOM 174 OE2 GLU A 12 32.564 -18.403 0.523 1.00 50.43 O ATOM 0 H GLU A 12 28.981 -14.046 -2.497 1.00 33.25 H new ATOM 0 HA GLU A 12 29.646 -16.072 -1.876 1.00 34.11 H new ATOM 0 HB2 GLU A 12 31.911 -14.714 -1.760 1.00 44.43 H new ATOM 0 HB3 GLU A 12 31.740 -14.928 -0.030 1.00 44.43 H new ATOM 0 HG2 GLU A 12 31.284 -17.450 -1.394 1.00 11.51 H new ATOM 0 HG3 GLU A 12 32.809 -16.755 -1.906 1.00 11.51 H new ATOM 181 N ALA A 13 28.137 -15.052 0.448 1.00 34.05 N ATOM 182 CA ALA A 13 27.407 -15.288 1.688 1.00 53.11 C ATOM 183 C ALA A 13 27.024 -16.757 1.828 1.00 34.33 C ATOM 184 O ALA A 13 26.197 -17.269 1.073 1.00 32.22 O ATOM 185 CB ALA A 13 26.166 -14.409 1.745 1.00 31.21 C ATOM 0 H ALA A 13 27.688 -14.392 -0.187 1.00 34.05 H new ATOM 0 HA ALA A 13 28.061 -15.029 2.521 1.00 53.11 H new ATOM 0 HB1 ALA A 13 25.631 -14.595 2.676 1.00 31.21 H new ATOM 0 HB2 ALA A 13 26.460 -13.360 1.699 1.00 31.21 H new ATOM 0 HB3 ALA A 13 25.517 -14.641 0.900 1.00 31.21 H new ATOM 191 N LYS A 14 27.630 -17.432 2.799 1.00 44.10 N ATOM 192 CA LYS A 14 27.353 -18.843 3.040 1.00 41.04 C ATOM 193 C LYS A 14 25.859 -19.077 3.241 1.00 64.30 C ATOM 194 O LYS A 14 25.150 -18.214 3.759 1.00 74.43 O ATOM 195 CB LYS A 14 28.127 -19.334 4.265 1.00 30.21 C ATOM 196 CG LYS A 14 29.613 -19.026 4.210 1.00 42.42 C ATOM 197 CD LYS A 14 30.413 -19.974 5.088 1.00 15.40 C ATOM 198 CE LYS A 14 31.865 -19.536 5.203 1.00 14.22 C ATOM 199 NZ LYS A 14 32.492 -19.339 3.867 1.00 23.31 N ATOM 0 H LYS A 14 28.317 -17.024 3.433 1.00 44.10 H new ATOM 0 HA LYS A 14 27.676 -19.406 2.165 1.00 41.04 H new ATOM 0 HB2 LYS A 14 27.703 -18.877 5.159 1.00 30.21 H new ATOM 0 HB3 LYS A 14 27.991 -20.411 4.362 1.00 30.21 H new ATOM 0 HG2 LYS A 14 29.963 -19.100 3.180 1.00 42.42 H new ATOM 0 HG3 LYS A 14 29.785 -17.999 4.532 1.00 42.42 H new ATOM 0 HD2 LYS A 14 29.965 -20.017 6.081 1.00 15.40 H new ATOM 0 HD3 LYS A 14 30.367 -20.981 4.674 1.00 15.40 H new ATOM 0 HE2 LYS A 14 31.920 -18.607 5.771 1.00 14.22 H new ATOM 0 HE3 LYS A 14 32.427 -20.285 5.761 1.00 14.22 H new ATOM 0 HZ1 LYS A 14 33.522 -19.242 3.978 1.00 23.31 H new ATOM 0 HZ2 LYS A 14 32.285 -20.159 3.262 1.00 23.31 H new ATOM 0 HZ3 LYS A 14 32.108 -18.478 3.427 1.00 23.31 H new ATOM 213 N HIS A 15 25.388 -20.250 2.830 1.00 63.41 N ATOM 214 CA HIS A 15 23.979 -20.599 2.967 1.00 14.25 C ATOM 215 C HIS A 15 23.501 -20.376 4.399 1.00 22.44 C ATOM 216 O HIS A 15 24.029 -20.970 5.339 1.00 14.23 O ATOM 217 CB HIS A 15 23.749 -22.055 2.561 1.00 3.14 C ATOM 218 CG HIS A 15 23.927 -22.303 1.095 1.00 1.20 C ATOM 219 ND1 HIS A 15 24.356 -23.509 0.582 1.00 11.13 N ATOM 220 CD2 HIS A 15 23.730 -21.492 0.030 1.00 54.43 C ATOM 221 CE1 HIS A 15 24.416 -23.428 -0.735 1.00 23.31 C ATOM 222 NE2 HIS A 15 24.041 -22.214 -1.096 1.00 32.43 N ATOM 0 H HIS A 15 25.962 -20.975 2.399 1.00 63.41 H new ATOM 0 HA HIS A 15 23.404 -19.951 2.305 1.00 14.25 H new ATOM 0 HB2 HIS A 15 24.439 -22.691 3.115 1.00 3.14 H new ATOM 0 HB3 HIS A 15 22.740 -22.350 2.851 1.00 3.14 H new ATOM 0 HD1 HIS A 15 24.590 -24.335 1.133 1.00 11.13 H new ATOM 0 HD2 HIS A 15 23.391 -20.467 0.060 1.00 54.43 H new ATOM 0 HE1 HIS A 15 24.720 -24.220 -1.403 1.00 23.31 H new ATOM 230 N GLY A 16 22.500 -19.516 4.558 1.00 74.33 N ATOM 231 CA GLY A 16 21.969 -19.230 5.878 1.00 70.42 C ATOM 232 C GLY A 16 22.378 -17.861 6.383 1.00 51.01 C ATOM 233 O GLY A 16 22.141 -17.522 7.543 1.00 52.32 O ATOM 0 H GLY A 16 22.047 -19.012 3.796 1.00 74.33 H new ATOM 0 HA2 GLY A 16 20.881 -19.294 5.850 1.00 70.42 H new ATOM 0 HA3 GLY A 16 22.315 -19.990 6.578 1.00 70.42 H new ATOM 237 N THR A 17 22.996 -17.071 5.511 1.00 44.50 N ATOM 238 CA THR A 17 23.442 -15.732 5.875 1.00 10.44 C ATOM 239 C THR A 17 22.286 -14.739 5.841 1.00 35.03 C ATOM 240 O THR A 17 21.403 -14.828 4.988 1.00 51.15 O ATOM 241 CB THR A 17 24.557 -15.236 4.936 1.00 42.42 C ATOM 242 OG1 THR A 17 25.718 -16.062 5.075 1.00 44.23 O ATOM 243 CG2 THR A 17 24.918 -13.790 5.241 1.00 41.55 C ATOM 0 H THR A 17 23.199 -17.336 4.547 1.00 44.50 H new ATOM 0 HA THR A 17 23.834 -15.795 6.890 1.00 10.44 H new ATOM 0 HB THR A 17 24.191 -15.294 3.911 1.00 42.42 H new ATOM 0 HG1 THR A 17 25.691 -16.779 4.407 1.00 44.23 H new ATOM 0 HG21 THR A 17 25.708 -13.462 4.565 1.00 41.55 H new ATOM 0 HG22 THR A 17 24.039 -13.159 5.106 1.00 41.55 H new ATOM 0 HG23 THR A 17 25.266 -13.711 6.271 1.00 41.55 H new ATOM 251 N PHE A 18 22.296 -13.793 6.775 1.00 62.14 N ATOM 252 CA PHE A 18 21.247 -12.783 6.851 1.00 2.13 C ATOM 253 C PHE A 18 21.329 -11.823 5.668 1.00 2.11 C ATOM 254 O PHE A 18 22.403 -11.321 5.335 1.00 54.33 O ATOM 255 CB PHE A 18 21.355 -12.003 8.163 1.00 24.55 C ATOM 256 CG PHE A 18 20.687 -10.659 8.119 1.00 31.10 C ATOM 257 CD1 PHE A 18 19.349 -10.547 7.777 1.00 40.11 C ATOM 258 CD2 PHE A 18 21.397 -9.508 8.419 1.00 52.42 C ATOM 259 CE1 PHE A 18 18.731 -9.311 7.735 1.00 33.44 C ATOM 260 CE2 PHE A 18 20.784 -8.270 8.379 1.00 12.54 C ATOM 261 CZ PHE A 18 19.450 -8.171 8.036 1.00 35.10 C ATOM 0 H PHE A 18 23.019 -13.705 7.489 1.00 62.14 H new ATOM 0 HA PHE A 18 20.284 -13.292 6.817 1.00 2.13 H new ATOM 0 HB2 PHE A 18 20.912 -12.594 8.965 1.00 24.55 H new ATOM 0 HB3 PHE A 18 22.408 -11.868 8.411 1.00 24.55 H new ATOM 0 HD1 PHE A 18 18.782 -11.435 7.541 1.00 40.11 H new ATOM 0 HD2 PHE A 18 22.441 -9.579 8.687 1.00 52.42 H new ATOM 0 HE1 PHE A 18 17.687 -9.237 7.467 1.00 33.44 H new ATOM 0 HE2 PHE A 18 21.348 -7.380 8.616 1.00 12.54 H new ATOM 0 HZ PHE A 18 18.970 -7.204 8.003 1.00 35.10 H new ATOM 271 N VAL A 19 20.187 -11.573 5.036 1.00 14.34 N ATOM 272 CA VAL A 19 20.128 -10.673 3.891 1.00 53.14 C ATOM 273 C VAL A 19 19.305 -9.430 4.210 1.00 52.11 C ATOM 274 O VAL A 19 19.791 -8.305 4.098 1.00 73.30 O ATOM 275 CB VAL A 19 19.524 -11.372 2.658 1.00 30.33 C ATOM 276 CG1 VAL A 19 19.627 -10.477 1.433 1.00 75.44 C ATOM 277 CG2 VAL A 19 20.212 -12.707 2.413 1.00 11.23 C ATOM 0 H VAL A 19 19.290 -11.981 5.298 1.00 14.34 H new ATOM 0 HA VAL A 19 21.153 -10.379 3.667 1.00 53.14 H new ATOM 0 HB VAL A 19 18.468 -11.563 2.851 1.00 30.33 H new ATOM 0 HG11 VAL A 19 19.195 -10.988 0.572 1.00 75.44 H new ATOM 0 HG12 VAL A 19 19.085 -9.549 1.614 1.00 75.44 H new ATOM 0 HG13 VAL A 19 20.675 -10.252 1.234 1.00 75.44 H new ATOM 0 HG21 VAL A 19 19.773 -13.187 1.538 1.00 11.23 H new ATOM 0 HG22 VAL A 19 21.276 -12.542 2.241 1.00 11.23 H new ATOM 0 HG23 VAL A 19 20.081 -13.349 3.284 1.00 11.23 H new ATOM 287 N GLY A 20 18.054 -9.641 4.609 1.00 60.01 N ATOM 288 CA GLY A 20 17.183 -8.528 4.939 1.00 71.30 C ATOM 289 C GLY A 20 15.759 -8.969 5.216 1.00 3.11 C ATOM 290 O GLY A 20 15.132 -9.623 4.383 1.00 33.33 O ATOM 0 H GLY A 20 17.629 -10.563 4.709 1.00 60.01 H new ATOM 0 HA2 GLY A 20 17.576 -8.010 5.814 1.00 71.30 H new ATOM 0 HA3 GLY A 20 17.185 -7.813 4.117 1.00 71.30 H new ATOM 294 N ARG A 21 15.249 -8.611 6.390 1.00 74.32 N ATOM 295 CA ARG A 21 13.891 -8.977 6.776 1.00 50.44 C ATOM 296 C ARG A 21 12.896 -8.602 5.681 1.00 35.05 C ATOM 297 O ARG A 21 12.521 -7.437 5.542 1.00 34.41 O ATOM 298 CB ARG A 21 13.508 -8.287 8.086 1.00 34.44 C ATOM 299 CG ARG A 21 14.461 -8.585 9.232 1.00 13.04 C ATOM 300 CD ARG A 21 14.496 -7.445 10.238 1.00 34.03 C ATOM 301 NE ARG A 21 15.854 -7.155 10.690 1.00 33.33 N ATOM 302 CZ ARG A 21 16.178 -6.082 11.402 1.00 10.24 C ATOM 303 NH1 ARG A 21 15.247 -5.201 11.742 1.00 34.41 N ATOM 304 NH2 ARG A 21 17.436 -5.888 11.777 1.00 41.44 N ATOM 0 H ARG A 21 15.755 -8.068 7.090 1.00 74.32 H new ATOM 0 HA ARG A 21 13.858 -10.057 6.919 1.00 50.44 H new ATOM 0 HB2 ARG A 21 13.474 -7.210 7.923 1.00 34.44 H new ATOM 0 HB3 ARG A 21 12.503 -8.598 8.370 1.00 34.44 H new ATOM 0 HG2 ARG A 21 14.154 -9.504 9.732 1.00 13.04 H new ATOM 0 HG3 ARG A 21 15.463 -8.755 8.838 1.00 13.04 H new ATOM 0 HD2 ARG A 21 14.065 -6.551 9.788 1.00 34.03 H new ATOM 0 HD3 ARG A 21 13.875 -7.700 11.097 1.00 34.03 H new ATOM 0 HE ARG A 21 16.594 -7.813 10.445 1.00 33.33 H new ATOM 0 HH11 ARG A 21 14.279 -5.347 11.457 1.00 34.41 H new ATOM 0 HH12 ARG A 21 15.499 -4.378 12.289 1.00 34.41 H new ATOM 0 HH21 ARG A 21 18.155 -6.563 11.518 1.00 41.44 H new ATOM 0 HH22 ARG A 21 17.684 -5.063 12.324 1.00 41.44 H new ATOM 318 N ILE A 22 12.472 -9.596 4.908 1.00 24.22 N ATOM 319 CA ILE A 22 11.520 -9.371 3.828 1.00 45.14 C ATOM 320 C ILE A 22 10.177 -8.893 4.369 1.00 63.31 C ATOM 321 O ILE A 22 9.559 -7.987 3.811 1.00 35.53 O ATOM 322 CB ILE A 22 11.301 -10.648 2.995 1.00 1.02 C ATOM 323 CG1 ILE A 22 10.222 -10.413 1.936 1.00 62.41 C ATOM 324 CG2 ILE A 22 10.920 -11.811 3.899 1.00 15.54 C ATOM 325 CD1 ILE A 22 10.543 -11.041 0.597 1.00 11.15 C ATOM 0 H ILE A 22 12.773 -10.565 5.010 1.00 24.22 H new ATOM 0 HA ILE A 22 11.946 -8.599 3.188 1.00 45.14 H new ATOM 0 HB ILE A 22 12.233 -10.898 2.488 1.00 1.02 H new ATOM 0 HG12 ILE A 22 9.275 -10.813 2.298 1.00 62.41 H new ATOM 0 HG13 ILE A 22 10.084 -9.340 1.801 1.00 62.41 H new ATOM 0 HG21 ILE A 22 10.769 -12.706 3.296 1.00 15.54 H new ATOM 0 HG22 ILE A 22 11.719 -11.989 4.619 1.00 15.54 H new ATOM 0 HG23 ILE A 22 9.999 -11.572 4.431 1.00 15.54 H new ATOM 0 HD11 ILE A 22 9.735 -10.834 -0.105 1.00 11.15 H new ATOM 0 HD12 ILE A 22 11.473 -10.623 0.213 1.00 11.15 H new ATOM 0 HD13 ILE A 22 10.652 -12.119 0.717 1.00 11.15 H new ATOM 337 N ALA A 23 9.733 -9.508 5.460 1.00 31.11 N ATOM 338 CA ALA A 23 8.465 -9.143 6.080 1.00 71.34 C ATOM 339 C ALA A 23 8.547 -7.766 6.729 1.00 25.12 C ATOM 340 O ALA A 23 7.689 -6.913 6.506 1.00 45.34 O ATOM 341 CB ALA A 23 8.059 -10.190 7.107 1.00 51.13 C ATOM 0 H ALA A 23 10.232 -10.261 5.933 1.00 31.11 H new ATOM 0 HA ALA A 23 7.706 -9.102 5.299 1.00 71.34 H new ATOM 0 HB1 ALA A 23 7.111 -9.905 7.562 1.00 51.13 H new ATOM 0 HB2 ALA A 23 7.950 -11.157 6.617 1.00 51.13 H new ATOM 0 HB3 ALA A 23 8.826 -10.259 7.879 1.00 51.13 H new ATOM 347 N GLN A 24 9.585 -7.558 7.534 1.00 55.31 N ATOM 348 CA GLN A 24 9.777 -6.284 8.217 1.00 40.23 C ATOM 349 C GLN A 24 9.800 -5.130 7.220 1.00 53.22 C ATOM 350 O GLN A 24 9.232 -4.067 7.472 1.00 32.14 O ATOM 351 CB GLN A 24 11.078 -6.304 9.021 1.00 12.24 C ATOM 352 CG GLN A 24 11.042 -5.420 10.257 1.00 2.44 C ATOM 353 CD GLN A 24 11.158 -3.945 9.924 1.00 61.31 C ATOM 354 OE1 GLN A 24 12.005 -3.542 9.126 1.00 74.34 O ATOM 355 NE2 GLN A 24 10.305 -3.131 10.535 1.00 65.11 N ATOM 0 H GLN A 24 10.304 -8.254 7.729 1.00 55.31 H new ATOM 0 HA GLN A 24 8.939 -6.135 8.898 1.00 40.23 H new ATOM 0 HB2 GLN A 24 11.293 -7.329 9.323 1.00 12.24 H new ATOM 0 HB3 GLN A 24 11.898 -5.983 8.378 1.00 12.24 H new ATOM 0 HG2 GLN A 24 10.111 -5.595 10.797 1.00 2.44 H new ATOM 0 HG3 GLN A 24 11.856 -5.703 10.925 1.00 2.44 H new ATOM 0 HE21 GLN A 24 9.619 -3.508 11.189 1.00 65.11 H new ATOM 0 HE22 GLN A 24 10.335 -2.128 10.350 1.00 65.11 H new ATOM 364 N ASP A 25 10.460 -5.346 6.087 1.00 14.03 N ATOM 365 CA ASP A 25 10.556 -4.324 5.051 1.00 31.04 C ATOM 366 C ASP A 25 9.240 -4.195 4.291 1.00 34.13 C ATOM 367 O ASP A 25 8.910 -3.126 3.776 1.00 13.25 O ATOM 368 CB ASP A 25 11.690 -4.657 4.080 1.00 35.13 C ATOM 369 CG ASP A 25 13.032 -4.773 4.775 1.00 11.32 C ATOM 370 OD1 ASP A 25 13.110 -4.435 5.975 1.00 23.12 O ATOM 371 OD2 ASP A 25 14.004 -5.202 4.119 1.00 10.34 O ATOM 0 H ASP A 25 10.936 -6.220 5.863 1.00 14.03 H new ATOM 0 HA ASP A 25 10.770 -3.371 5.534 1.00 31.04 H new ATOM 0 HB2 ASP A 25 11.465 -5.595 3.571 1.00 35.13 H new ATOM 0 HB3 ASP A 25 11.747 -3.884 3.313 1.00 35.13 H new ATOM 376 N LEU A 26 8.492 -5.291 4.224 1.00 53.14 N ATOM 377 CA LEU A 26 7.211 -5.301 3.525 1.00 20.32 C ATOM 378 C LEU A 26 6.146 -4.564 4.330 1.00 12.40 C ATOM 379 O LEU A 26 5.319 -3.844 3.772 1.00 41.32 O ATOM 380 CB LEU A 26 6.763 -6.740 3.262 1.00 33.04 C ATOM 381 CG LEU A 26 6.917 -7.239 1.825 1.00 31.34 C ATOM 382 CD1 LEU A 26 8.349 -7.058 1.348 1.00 25.12 C ATOM 383 CD2 LEU A 26 6.498 -8.698 1.720 1.00 61.41 C ATOM 0 H LEU A 26 8.750 -6.184 4.645 1.00 53.14 H new ATOM 0 HA LEU A 26 7.340 -4.787 2.572 1.00 20.32 H new ATOM 0 HB2 LEU A 26 7.330 -7.401 3.918 1.00 33.04 H new ATOM 0 HB3 LEU A 26 5.715 -6.831 3.546 1.00 33.04 H new ATOM 0 HG LEU A 26 6.265 -6.647 1.183 1.00 31.34 H new ATOM 0 HD11 LEU A 26 8.440 -7.419 0.323 1.00 25.12 H new ATOM 0 HD12 LEU A 26 8.614 -6.001 1.386 1.00 25.12 H new ATOM 0 HD13 LEU A 26 9.021 -7.624 1.993 1.00 25.12 H new ATOM 0 HD21 LEU A 26 6.614 -9.037 0.690 1.00 61.41 H new ATOM 0 HD22 LEU A 26 7.124 -9.304 2.374 1.00 61.41 H new ATOM 0 HD23 LEU A 26 5.455 -8.800 2.020 1.00 61.41 H new ATOM 395 N GLY A 27 6.174 -4.747 5.647 1.00 55.32 N ATOM 396 CA GLY A 27 5.207 -4.090 6.507 1.00 31.45 C ATOM 397 C GLY A 27 3.959 -4.924 6.719 1.00 31.23 C ATOM 398 O GLY A 27 2.840 -4.420 6.612 1.00 43.34 O ATOM 0 H GLY A 27 6.848 -5.338 6.133 1.00 55.32 H new ATOM 0 HA2 GLY A 27 5.668 -3.879 7.472 1.00 31.45 H new ATOM 0 HA3 GLY A 27 4.929 -3.131 6.070 1.00 31.45 H new ATOM 402 N LEU A 28 4.149 -6.204 7.020 1.00 74.23 N ATOM 403 CA LEU A 28 3.029 -7.111 7.246 1.00 75.24 C ATOM 404 C LEU A 28 3.192 -7.860 8.564 1.00 32.42 C ATOM 405 O LEU A 28 4.113 -7.588 9.333 1.00 14.45 O ATOM 406 CB LEU A 28 2.913 -8.108 6.091 1.00 53.43 C ATOM 407 CG LEU A 28 3.654 -7.735 4.806 1.00 22.53 C ATOM 408 CD1 LEU A 28 3.614 -8.887 3.814 1.00 25.41 C ATOM 409 CD2 LEU A 28 3.057 -6.478 4.191 1.00 61.31 C ATOM 0 H LEU A 28 5.068 -6.637 7.113 1.00 74.23 H new ATOM 0 HA LEU A 28 2.117 -6.516 7.298 1.00 75.24 H new ATOM 0 HB2 LEU A 28 3.283 -9.074 6.433 1.00 53.43 H new ATOM 0 HB3 LEU A 28 1.857 -8.237 5.853 1.00 53.43 H new ATOM 0 HG LEU A 28 4.696 -7.533 5.056 1.00 22.53 H new ATOM 0 HD11 LEU A 28 4.146 -8.604 2.906 1.00 25.41 H new ATOM 0 HD12 LEU A 28 4.089 -9.763 4.255 1.00 25.41 H new ATOM 0 HD13 LEU A 28 2.578 -9.121 3.569 1.00 25.41 H new ATOM 0 HD21 LEU A 28 3.597 -6.228 3.278 1.00 61.31 H new ATOM 0 HD22 LEU A 28 2.007 -6.651 3.956 1.00 61.31 H new ATOM 0 HD23 LEU A 28 3.139 -5.653 4.898 1.00 61.31 H new ATOM 421 N GLU A 29 2.293 -8.807 8.817 1.00 51.34 N ATOM 422 CA GLU A 29 2.339 -9.596 10.042 1.00 42.12 C ATOM 423 C GLU A 29 2.996 -10.950 9.792 1.00 22.41 C ATOM 424 O GLU A 29 2.745 -11.597 8.774 1.00 43.30 O ATOM 425 CB GLU A 29 0.928 -9.796 10.599 1.00 24.23 C ATOM 426 CG GLU A 29 0.807 -9.471 12.078 1.00 15.45 C ATOM 427 CD GLU A 29 0.321 -8.056 12.326 1.00 10.33 C ATOM 428 OE1 GLU A 29 -0.770 -7.706 11.829 1.00 21.52 O ATOM 429 OE2 GLU A 29 1.033 -7.298 13.018 1.00 13.51 O ATOM 0 H GLU A 29 1.525 -9.046 8.190 1.00 51.34 H new ATOM 0 HA GLU A 29 2.936 -9.051 10.773 1.00 42.12 H new ATOM 0 HB2 GLU A 29 0.233 -9.169 10.040 1.00 24.23 H new ATOM 0 HB3 GLU A 29 0.625 -10.831 10.437 1.00 24.23 H new ATOM 0 HG2 GLU A 29 0.119 -10.175 12.546 1.00 15.45 H new ATOM 0 HG3 GLU A 29 1.777 -9.607 12.557 1.00 15.45 H new ATOM 436 N LEU A 30 3.839 -11.374 10.728 1.00 51.24 N ATOM 437 CA LEU A 30 4.533 -12.651 10.610 1.00 25.32 C ATOM 438 C LEU A 30 3.540 -13.805 10.515 1.00 51.43 C ATOM 439 O LEU A 30 3.836 -14.847 9.930 1.00 73.23 O ATOM 440 CB LEU A 30 5.462 -12.861 11.807 1.00 23.14 C ATOM 441 CG LEU A 30 6.875 -13.349 11.484 1.00 73.33 C ATOM 442 CD1 LEU A 30 6.836 -14.766 10.931 1.00 4.33 C ATOM 443 CD2 LEU A 30 7.551 -12.408 10.497 1.00 23.45 C ATOM 0 H LEU A 30 4.058 -10.852 11.576 1.00 51.24 H new ATOM 0 HA LEU A 30 5.126 -12.630 9.696 1.00 25.32 H new ATOM 0 HB2 LEU A 30 5.540 -11.919 12.350 1.00 23.14 H new ATOM 0 HB3 LEU A 30 4.996 -13.580 12.481 1.00 23.14 H new ATOM 0 HG LEU A 30 7.457 -13.356 12.406 1.00 73.33 H new ATOM 0 HD11 LEU A 30 7.850 -15.097 10.707 1.00 4.33 H new ATOM 0 HD12 LEU A 30 6.392 -15.433 11.670 1.00 4.33 H new ATOM 0 HD13 LEU A 30 6.238 -14.785 10.020 1.00 4.33 H new ATOM 0 HD21 LEU A 30 8.555 -12.770 10.278 1.00 23.45 H new ATOM 0 HD22 LEU A 30 6.971 -12.369 9.575 1.00 23.45 H new ATOM 0 HD23 LEU A 30 7.612 -11.409 10.930 1.00 23.45 H new ATOM 455 N THR A 31 2.358 -13.610 11.092 1.00 70.23 N ATOM 456 CA THR A 31 1.320 -14.633 11.071 1.00 51.00 C ATOM 457 C THR A 31 0.345 -14.404 9.922 1.00 51.41 C ATOM 458 O THR A 31 -0.635 -15.133 9.773 1.00 42.11 O ATOM 459 CB THR A 31 0.536 -14.664 12.396 1.00 35.23 C ATOM 460 OG1 THR A 31 1.375 -14.233 13.473 1.00 43.21 O ATOM 461 CG2 THR A 31 0.013 -16.064 12.683 1.00 4.12 C ATOM 0 H THR A 31 2.096 -12.753 11.579 1.00 70.23 H new ATOM 0 HA THR A 31 1.822 -15.590 10.932 1.00 51.00 H new ATOM 0 HB THR A 31 -0.314 -13.987 12.305 1.00 35.23 H new ATOM 0 HG1 THR A 31 0.868 -14.254 14.311 1.00 43.21 H new ATOM 0 HG21 THR A 31 -0.537 -16.061 13.624 1.00 4.12 H new ATOM 0 HG22 THR A 31 -0.649 -16.377 11.876 1.00 4.12 H new ATOM 0 HG23 THR A 31 0.851 -16.758 12.755 1.00 4.12 H new ATOM 469 N GLU A 32 0.621 -13.386 9.112 1.00 73.11 N ATOM 470 CA GLU A 32 -0.234 -13.062 7.976 1.00 42.23 C ATOM 471 C GLU A 32 0.315 -13.673 6.690 1.00 62.31 C ATOM 472 O GLU A 32 -0.419 -13.873 5.721 1.00 2.11 O ATOM 473 CB GLU A 32 -0.358 -11.545 7.819 1.00 11.34 C ATOM 474 CG GLU A 32 -1.636 -10.974 8.412 1.00 24.42 C ATOM 475 CD GLU A 32 -2.424 -10.149 7.414 1.00 31.10 C ATOM 476 OE1 GLU A 32 -3.265 -10.731 6.697 1.00 64.15 O ATOM 477 OE2 GLU A 32 -2.201 -8.922 7.350 1.00 70.20 O ATOM 0 H GLU A 32 1.429 -12.773 9.221 1.00 73.11 H new ATOM 0 HA GLU A 32 -1.221 -13.483 8.166 1.00 42.23 H new ATOM 0 HB2 GLU A 32 0.498 -11.068 8.295 1.00 11.34 H new ATOM 0 HB3 GLU A 32 -0.315 -11.293 6.759 1.00 11.34 H new ATOM 0 HG2 GLU A 32 -2.260 -11.791 8.776 1.00 24.42 H new ATOM 0 HG3 GLU A 32 -1.387 -10.355 9.274 1.00 24.42 H new ATOM 484 N LEU A 33 1.611 -13.968 6.688 1.00 35.03 N ATOM 485 CA LEU A 33 2.260 -14.556 5.522 1.00 72.41 C ATOM 486 C LEU A 33 1.732 -15.962 5.256 1.00 34.40 C ATOM 487 O LEU A 33 1.461 -16.329 4.113 1.00 73.45 O ATOM 488 CB LEU A 33 3.775 -14.599 5.724 1.00 4.54 C ATOM 489 CG LEU A 33 4.430 -13.289 6.166 1.00 63.14 C ATOM 490 CD1 LEU A 33 5.401 -13.537 7.310 1.00 42.24 C ATOM 491 CD2 LEU A 33 5.141 -12.627 4.994 1.00 21.12 C ATOM 0 H LEU A 33 2.232 -13.809 7.481 1.00 35.03 H new ATOM 0 HA LEU A 33 2.032 -13.932 4.658 1.00 72.41 H new ATOM 0 HB2 LEU A 33 4.001 -15.364 6.467 1.00 4.54 H new ATOM 0 HB3 LEU A 33 4.237 -14.916 4.789 1.00 4.54 H new ATOM 0 HG LEU A 33 3.649 -12.615 6.519 1.00 63.14 H new ATOM 0 HD11 LEU A 33 5.857 -12.594 7.611 1.00 42.24 H new ATOM 0 HD12 LEU A 33 4.865 -13.967 8.156 1.00 42.24 H new ATOM 0 HD13 LEU A 33 6.178 -14.228 6.984 1.00 42.24 H new ATOM 0 HD21 LEU A 33 5.601 -11.696 5.326 1.00 21.12 H new ATOM 0 HD22 LEU A 33 5.911 -13.296 4.611 1.00 21.12 H new ATOM 0 HD23 LEU A 33 4.420 -12.414 4.205 1.00 21.12 H new ATOM 503 N VAL A 34 1.585 -16.745 6.320 1.00 23.24 N ATOM 504 CA VAL A 34 1.086 -18.110 6.203 1.00 71.01 C ATOM 505 C VAL A 34 -0.229 -18.150 5.433 1.00 53.40 C ATOM 506 O VAL A 34 -0.355 -18.813 4.404 1.00 71.33 O ATOM 507 CB VAL A 34 0.877 -18.753 7.587 1.00 4.51 C ATOM 508 CG1 VAL A 34 -0.263 -19.759 7.543 1.00 45.43 C ATOM 509 CG2 VAL A 34 2.162 -19.411 8.067 1.00 10.35 C ATOM 0 H VAL A 34 1.805 -16.457 7.274 1.00 23.24 H new ATOM 0 HA VAL A 34 1.841 -18.677 5.658 1.00 71.01 H new ATOM 0 HB VAL A 34 0.610 -17.969 8.296 1.00 4.51 H new ATOM 0 HG11 VAL A 34 -0.395 -20.202 8.530 1.00 45.43 H new ATOM 0 HG12 VAL A 34 -1.182 -19.254 7.246 1.00 45.43 H new ATOM 0 HG13 VAL A 34 -0.030 -20.542 6.822 1.00 45.43 H new ATOM 0 HG21 VAL A 34 1.997 -19.860 9.046 1.00 10.35 H new ATOM 0 HG22 VAL A 34 2.462 -20.184 7.359 1.00 10.35 H new ATOM 0 HG23 VAL A 34 2.950 -18.661 8.140 1.00 10.35 H new ATOM 519 N PRO A 35 -1.235 -17.422 5.941 1.00 4.35 N ATOM 520 CA PRO A 35 -2.559 -17.356 5.317 1.00 52.12 C ATOM 521 C PRO A 35 -2.541 -16.590 3.998 1.00 0.25 C ATOM 522 O PRO A 35 -3.475 -16.684 3.202 1.00 20.10 O ATOM 523 CB PRO A 35 -3.405 -16.614 6.355 1.00 45.11 C ATOM 524 CG PRO A 35 -2.425 -15.802 7.130 1.00 14.32 C ATOM 525 CD PRO A 35 -1.156 -16.606 7.165 1.00 24.31 C ATOM 0 HA PRO A 35 -2.940 -18.346 5.066 1.00 52.12 H new ATOM 0 HB2 PRO A 35 -4.153 -15.982 5.877 1.00 45.11 H new ATOM 0 HB3 PRO A 35 -3.941 -17.310 7.000 1.00 45.11 H new ATOM 0 HG2 PRO A 35 -2.260 -14.834 6.657 1.00 14.32 H new ATOM 0 HG3 PRO A 35 -2.791 -15.607 8.138 1.00 14.32 H new ATOM 0 HD2 PRO A 35 -0.274 -15.965 7.165 1.00 24.31 H new ATOM 0 HD3 PRO A 35 -1.098 -17.227 8.059 1.00 24.31 H new ATOM 533 N ARG A 36 -1.472 -15.832 3.775 1.00 55.15 N ATOM 534 CA ARG A 36 -1.334 -15.049 2.553 1.00 43.04 C ATOM 535 C ARG A 36 -0.654 -15.866 1.458 1.00 41.13 C ATOM 536 O ARG A 36 -0.293 -15.336 0.406 1.00 4.32 O ATOM 537 CB ARG A 36 -0.531 -13.775 2.826 1.00 75.41 C ATOM 538 CG ARG A 36 -1.377 -12.621 3.339 1.00 72.23 C ATOM 539 CD ARG A 36 -0.512 -11.456 3.794 1.00 33.44 C ATOM 540 NE ARG A 36 -1.310 -10.278 4.123 1.00 51.13 N ATOM 541 CZ ARG A 36 -0.819 -9.044 4.156 1.00 72.04 C ATOM 542 NH1 ARG A 36 0.460 -8.828 3.881 1.00 31.33 N ATOM 543 NH2 ARG A 36 -1.609 -8.023 4.463 1.00 45.31 N ATOM 0 H ARG A 36 -0.690 -15.744 4.424 1.00 55.15 H new ATOM 0 HA ARG A 36 -2.332 -14.775 2.212 1.00 43.04 H new ATOM 0 HB2 ARG A 36 0.248 -13.996 3.556 1.00 75.41 H new ATOM 0 HB3 ARG A 36 -0.030 -13.467 1.908 1.00 75.41 H new ATOM 0 HG2 ARG A 36 -2.054 -12.287 2.553 1.00 72.23 H new ATOM 0 HG3 ARG A 36 -1.995 -12.963 4.169 1.00 72.23 H new ATOM 0 HD2 ARG A 36 0.069 -11.755 4.666 1.00 33.44 H new ATOM 0 HD3 ARG A 36 0.199 -11.204 3.008 1.00 33.44 H new ATOM 0 HE ARG A 36 -2.298 -10.410 4.339 1.00 51.13 H new ATOM 0 HH11 ARG A 36 1.070 -9.610 3.643 1.00 31.33 H new ATOM 0 HH12 ARG A 36 0.834 -7.879 3.907 1.00 31.33 H new ATOM 0 HH21 ARG A 36 -2.594 -8.185 4.674 1.00 45.31 H new ATOM 0 HH22 ARG A 36 -1.232 -7.076 4.488 1.00 45.31 H new ATOM 557 N LEU A 37 -0.482 -17.158 1.712 1.00 72.54 N ATOM 558 CA LEU A 37 0.155 -18.049 0.748 1.00 73.51 C ATOM 559 C LEU A 37 1.438 -17.432 0.201 1.00 21.43 C ATOM 560 O LEU A 37 1.603 -17.289 -1.010 1.00 64.23 O ATOM 561 CB LEU A 37 -0.805 -18.360 -0.402 1.00 15.23 C ATOM 562 CG LEU A 37 -1.795 -19.501 -0.161 1.00 2.54 C ATOM 563 CD1 LEU A 37 -3.205 -18.957 0.008 1.00 31.21 C ATOM 564 CD2 LEU A 37 -1.741 -20.504 -1.304 1.00 1.34 C ATOM 0 H LEU A 37 -0.774 -17.612 2.577 1.00 72.54 H new ATOM 0 HA LEU A 37 0.409 -18.976 1.261 1.00 73.51 H new ATOM 0 HB2 LEU A 37 -1.371 -17.457 -0.630 1.00 15.23 H new ATOM 0 HB3 LEU A 37 -0.215 -18.599 -1.287 1.00 15.23 H new ATOM 0 HG LEU A 37 -1.513 -20.014 0.759 1.00 2.54 H new ATOM 0 HD11 LEU A 37 -3.896 -19.783 0.178 1.00 31.21 H new ATOM 0 HD12 LEU A 37 -3.233 -18.278 0.860 1.00 31.21 H new ATOM 0 HD13 LEU A 37 -3.498 -18.419 -0.894 1.00 31.21 H new ATOM 0 HD21 LEU A 37 -2.452 -21.309 -1.116 1.00 1.34 H new ATOM 0 HD22 LEU A 37 -1.997 -20.005 -2.239 1.00 1.34 H new ATOM 0 HD23 LEU A 37 -0.735 -20.918 -1.378 1.00 1.34 H new ATOM 576 N PHE A 38 2.345 -17.070 1.103 1.00 61.45 N ATOM 577 CA PHE A 38 3.615 -16.470 0.711 1.00 51.13 C ATOM 578 C PHE A 38 4.407 -17.412 -0.191 1.00 54.05 C ATOM 579 O PHE A 38 4.436 -18.622 0.031 1.00 63.51 O ATOM 580 CB PHE A 38 4.441 -16.118 1.950 1.00 72.12 C ATOM 581 CG PHE A 38 5.194 -14.825 1.821 1.00 63.23 C ATOM 582 CD1 PHE A 38 4.520 -13.615 1.799 1.00 5.44 C ATOM 583 CD2 PHE A 38 6.576 -14.820 1.721 1.00 22.33 C ATOM 584 CE1 PHE A 38 5.211 -12.424 1.680 1.00 44.31 C ATOM 585 CE2 PHE A 38 7.273 -13.632 1.602 1.00 34.30 C ATOM 586 CZ PHE A 38 6.589 -12.432 1.582 1.00 22.43 C ATOM 0 H PHE A 38 2.224 -17.182 2.110 1.00 61.45 H new ATOM 0 HA PHE A 38 3.400 -15.558 0.154 1.00 51.13 H new ATOM 0 HB2 PHE A 38 3.779 -16.059 2.814 1.00 72.12 H new ATOM 0 HB3 PHE A 38 5.149 -16.923 2.146 1.00 72.12 H new ATOM 0 HD1 PHE A 38 3.443 -13.602 1.876 1.00 5.44 H new ATOM 0 HD2 PHE A 38 7.115 -15.756 1.736 1.00 22.33 H new ATOM 0 HE1 PHE A 38 4.674 -11.487 1.664 1.00 44.31 H new ATOM 0 HE2 PHE A 38 8.350 -13.642 1.525 1.00 34.30 H new ATOM 0 HZ PHE A 38 7.130 -11.502 1.490 1.00 22.43 H new ATOM 596 N ARG A 39 5.046 -16.847 -1.210 1.00 63.34 N ATOM 597 CA ARG A 39 5.837 -17.636 -2.148 1.00 32.03 C ATOM 598 C ARG A 39 6.994 -16.814 -2.709 1.00 32.52 C ATOM 599 O ARG A 39 6.873 -15.605 -2.904 1.00 51.01 O ATOM 600 CB ARG A 39 4.956 -18.143 -3.291 1.00 15.31 C ATOM 601 CG ARG A 39 4.976 -19.654 -3.452 1.00 1.01 C ATOM 602 CD ARG A 39 3.589 -20.252 -3.275 1.00 22.01 C ATOM 603 NE ARG A 39 3.634 -21.705 -3.132 1.00 52.22 N ATOM 604 CZ ARG A 39 3.994 -22.323 -2.013 1.00 15.44 C ATOM 605 NH1 ARG A 39 4.338 -21.618 -0.944 1.00 13.42 N ATOM 606 NH2 ARG A 39 4.009 -23.648 -1.961 1.00 31.44 N ATOM 0 H ARG A 39 5.032 -15.846 -1.407 1.00 63.34 H new ATOM 0 HA ARG A 39 6.248 -18.490 -1.609 1.00 32.03 H new ATOM 0 HB2 ARG A 39 3.930 -17.818 -3.119 1.00 15.31 H new ATOM 0 HB3 ARG A 39 5.284 -17.683 -4.223 1.00 15.31 H new ATOM 0 HG2 ARG A 39 5.361 -19.911 -4.439 1.00 1.01 H new ATOM 0 HG3 ARG A 39 5.657 -20.090 -2.721 1.00 1.01 H new ATOM 0 HD2 ARG A 39 3.116 -19.816 -2.396 1.00 22.01 H new ATOM 0 HD3 ARG A 39 2.969 -19.991 -4.133 1.00 22.01 H new ATOM 0 HE ARG A 39 3.375 -22.277 -3.936 1.00 52.22 H new ATOM 0 HH11 ARG A 39 4.326 -20.599 -0.980 1.00 13.42 H new ATOM 0 HH12 ARG A 39 4.614 -22.095 -0.086 1.00 13.42 H new ATOM 0 HH21 ARG A 39 3.744 -24.194 -2.781 1.00 31.44 H new ATOM 0 HH22 ARG A 39 4.286 -24.122 -1.101 1.00 31.44 H new ATOM 620 N VAL A 40 8.115 -17.480 -2.966 1.00 5.13 N ATOM 621 CA VAL A 40 9.294 -16.812 -3.505 1.00 22.13 C ATOM 622 C VAL A 40 9.737 -17.452 -4.815 1.00 64.43 C ATOM 623 O VAL A 40 9.770 -18.676 -4.940 1.00 62.22 O ATOM 624 CB VAL A 40 10.466 -16.849 -2.506 1.00 21.21 C ATOM 625 CG1 VAL A 40 11.649 -16.057 -3.041 1.00 64.32 C ATOM 626 CG2 VAL A 40 10.027 -16.317 -1.150 1.00 42.32 C ATOM 0 H VAL A 40 8.232 -18.481 -2.810 1.00 5.13 H new ATOM 0 HA VAL A 40 9.014 -15.774 -3.687 1.00 22.13 H new ATOM 0 HB VAL A 40 10.780 -17.885 -2.380 1.00 21.21 H new ATOM 0 HG11 VAL A 40 12.467 -16.095 -2.322 1.00 64.32 H new ATOM 0 HG12 VAL A 40 11.977 -16.488 -3.987 1.00 64.32 H new ATOM 0 HG13 VAL A 40 11.352 -15.020 -3.198 1.00 64.32 H new ATOM 0 HG21 VAL A 40 10.867 -16.350 -0.457 1.00 42.32 H new ATOM 0 HG22 VAL A 40 9.685 -15.288 -1.256 1.00 42.32 H new ATOM 0 HG23 VAL A 40 9.214 -16.931 -0.764 1.00 42.32 H new ATOM 636 N ALA A 41 10.078 -16.616 -5.790 1.00 63.24 N ATOM 637 CA ALA A 41 10.522 -17.100 -7.092 1.00 23.44 C ATOM 638 C ALA A 41 11.357 -16.048 -7.814 1.00 14.34 C ATOM 639 O ALA A 41 11.391 -14.885 -7.410 1.00 72.23 O ATOM 640 CB ALA A 41 9.326 -17.502 -7.941 1.00 70.44 C ATOM 0 H ALA A 41 10.055 -15.600 -5.703 1.00 63.24 H new ATOM 0 HA ALA A 41 11.150 -17.976 -6.931 1.00 23.44 H new ATOM 0 HB1 ALA A 41 9.672 -17.861 -8.910 1.00 70.44 H new ATOM 0 HB2 ALA A 41 8.772 -18.294 -7.437 1.00 70.44 H new ATOM 0 HB3 ALA A 41 8.676 -16.639 -8.085 1.00 70.44 H new ATOM 646 N SER A 42 12.029 -16.463 -8.883 1.00 13.05 N ATOM 647 CA SER A 42 12.867 -15.556 -9.658 1.00 71.32 C ATOM 648 C SER A 42 12.869 -15.946 -11.133 1.00 70.32 C ATOM 649 O SER A 42 12.584 -17.091 -11.486 1.00 30.15 O ATOM 650 CB SER A 42 14.297 -15.561 -9.116 1.00 5.32 C ATOM 651 OG SER A 42 15.176 -16.237 -9.999 1.00 14.01 O ATOM 0 H SER A 42 12.009 -17.421 -9.232 1.00 13.05 H new ATOM 0 HA SER A 42 12.455 -14.551 -9.566 1.00 71.32 H new ATOM 0 HB2 SER A 42 14.638 -14.536 -8.973 1.00 5.32 H new ATOM 0 HB3 SER A 42 14.317 -16.043 -8.139 1.00 5.32 H new ATOM 0 HG SER A 42 15.886 -15.625 -10.285 1.00 14.01 H new ATOM 657 N LYS A 43 13.193 -14.986 -11.992 1.00 55.41 N ATOM 658 CA LYS A 43 13.234 -15.226 -13.430 1.00 13.03 C ATOM 659 C LYS A 43 14.560 -15.860 -13.838 1.00 11.44 C ATOM 660 O LYS A 43 14.653 -16.511 -14.878 1.00 44.12 O ATOM 661 CB LYS A 43 13.026 -13.916 -14.193 1.00 3.33 C ATOM 662 CG LYS A 43 14.208 -12.965 -14.102 1.00 34.32 C ATOM 663 CD LYS A 43 13.772 -11.518 -14.258 1.00 41.00 C ATOM 664 CE LYS A 43 13.261 -11.238 -15.663 1.00 70.30 C ATOM 665 NZ LYS A 43 11.818 -10.869 -15.665 1.00 45.41 N ATOM 0 H LYS A 43 13.431 -14.033 -11.717 1.00 55.41 H new ATOM 0 HA LYS A 43 12.429 -15.917 -13.681 1.00 13.03 H new ATOM 0 HB2 LYS A 43 12.833 -14.143 -15.241 1.00 3.33 H new ATOM 0 HB3 LYS A 43 12.138 -13.417 -13.806 1.00 3.33 H new ATOM 0 HG2 LYS A 43 14.707 -13.094 -13.142 1.00 34.32 H new ATOM 0 HG3 LYS A 43 14.936 -13.212 -14.875 1.00 34.32 H new ATOM 0 HD2 LYS A 43 12.989 -11.293 -13.533 1.00 41.00 H new ATOM 0 HD3 LYS A 43 14.611 -10.858 -14.037 1.00 41.00 H new ATOM 0 HE2 LYS A 43 13.843 -10.430 -16.107 1.00 70.30 H new ATOM 0 HE3 LYS A 43 13.411 -12.119 -16.287 1.00 70.30 H new ATOM 0 HZ1 LYS A 43 11.508 -10.686 -16.641 1.00 45.41 H new ATOM 0 HZ2 LYS A 43 11.259 -11.650 -15.265 1.00 45.41 H new ATOM 0 HZ3 LYS A 43 11.678 -10.013 -15.091 1.00 45.41 H new ATOM 679 N ASP A 44 15.582 -15.666 -13.011 1.00 52.22 N ATOM 680 CA ASP A 44 16.902 -16.221 -13.285 1.00 3.21 C ATOM 681 C ASP A 44 16.900 -17.737 -13.115 1.00 43.14 C ATOM 682 O ASP A 44 16.841 -18.481 -14.095 1.00 2.34 O ATOM 683 CB ASP A 44 17.945 -15.593 -12.358 1.00 52.05 C ATOM 684 CG ASP A 44 18.687 -14.446 -13.015 1.00 63.05 C ATOM 685 OD1 ASP A 44 18.055 -13.696 -13.788 1.00 64.13 O ATOM 686 OD2 ASP A 44 19.901 -14.299 -12.758 1.00 14.15 O ATOM 0 H ASP A 44 15.521 -15.129 -12.146 1.00 52.22 H new ATOM 0 HA ASP A 44 17.159 -15.990 -14.319 1.00 3.21 H new ATOM 0 HB2 ASP A 44 17.454 -15.234 -11.454 1.00 52.05 H new ATOM 0 HB3 ASP A 44 18.660 -16.356 -12.051 1.00 52.05 H new ATOM 691 N ARG A 45 16.966 -18.188 -11.867 1.00 5.31 N ATOM 692 CA ARG A 45 16.975 -19.615 -11.569 1.00 53.15 C ATOM 693 C ARG A 45 15.817 -19.985 -10.647 1.00 1.44 C ATOM 694 O ARG A 45 15.440 -21.151 -10.543 1.00 62.14 O ATOM 695 CB ARG A 45 18.303 -20.015 -10.925 1.00 31.53 C ATOM 696 CG ARG A 45 19.203 -20.829 -11.840 1.00 22.32 C ATOM 697 CD ARG A 45 20.423 -21.354 -11.099 1.00 32.14 C ATOM 698 NE ARG A 45 21.669 -20.972 -11.756 1.00 45.23 N ATOM 699 CZ ARG A 45 22.872 -21.302 -11.300 1.00 25.11 C ATOM 700 NH1 ARG A 45 22.991 -22.018 -10.190 1.00 14.50 N ATOM 701 NH2 ARG A 45 23.960 -20.917 -11.955 1.00 5.14 N ATOM 0 H ARG A 45 17.014 -17.585 -11.045 1.00 5.31 H new ATOM 0 HA ARG A 45 16.857 -20.157 -12.507 1.00 53.15 H new ATOM 0 HB2 ARG A 45 18.833 -19.114 -10.616 1.00 31.53 H new ATOM 0 HB3 ARG A 45 18.100 -20.591 -10.022 1.00 31.53 H new ATOM 0 HG2 ARG A 45 18.641 -21.665 -12.255 1.00 22.32 H new ATOM 0 HG3 ARG A 45 19.524 -20.212 -12.680 1.00 22.32 H new ATOM 0 HD2 ARG A 45 20.419 -20.971 -10.078 1.00 32.14 H new ATOM 0 HD3 ARG A 45 20.367 -22.441 -11.032 1.00 32.14 H new ATOM 0 HE ARG A 45 21.613 -20.421 -12.613 1.00 45.23 H new ATOM 0 HH11 ARG A 45 22.157 -22.317 -9.684 1.00 14.50 H new ATOM 0 HH12 ARG A 45 23.916 -22.270 -9.842 1.00 14.50 H new ATOM 0 HH21 ARG A 45 23.873 -20.367 -12.810 1.00 5.14 H new ATOM 0 HH22 ARG A 45 24.883 -21.171 -11.604 1.00 5.14 H new ATOM 715 N GLY A 46 15.257 -18.982 -9.977 1.00 3.33 N ATOM 716 CA GLY A 46 14.149 -19.222 -9.071 1.00 2.22 C ATOM 717 C GLY A 46 14.592 -19.862 -7.770 1.00 71.53 C ATOM 718 O GLY A 46 13.766 -20.184 -6.916 1.00 73.01 O ATOM 0 H GLY A 46 15.551 -18.008 -10.046 1.00 3.33 H new ATOM 0 HA2 GLY A 46 13.649 -18.278 -8.856 1.00 2.22 H new ATOM 0 HA3 GLY A 46 13.418 -19.867 -9.559 1.00 2.22 H new ATOM 722 N ASP A 47 15.898 -20.050 -7.620 1.00 4.01 N ATOM 723 CA ASP A 47 16.450 -20.657 -6.414 1.00 72.42 C ATOM 724 C ASP A 47 17.682 -19.895 -5.937 1.00 21.53 C ATOM 725 O ASP A 47 18.800 -20.412 -5.979 1.00 54.13 O ATOM 726 CB ASP A 47 16.809 -22.121 -6.673 1.00 74.43 C ATOM 727 CG ASP A 47 15.603 -22.952 -7.067 1.00 21.11 C ATOM 728 OD1 ASP A 47 14.703 -23.130 -6.220 1.00 2.44 O ATOM 729 OD2 ASP A 47 15.560 -23.425 -8.222 1.00 32.51 O ATOM 0 H ASP A 47 16.595 -19.791 -8.318 1.00 4.01 H new ATOM 0 HA ASP A 47 15.691 -20.610 -5.633 1.00 72.42 H new ATOM 0 HB2 ASP A 47 17.557 -22.174 -7.464 1.00 74.43 H new ATOM 0 HB3 ASP A 47 17.262 -22.545 -5.777 1.00 74.43 H new ATOM 734 N LEU A 48 17.471 -18.665 -5.483 1.00 44.34 N ATOM 735 CA LEU A 48 18.565 -17.830 -4.999 1.00 24.35 C ATOM 736 C LEU A 48 18.532 -17.718 -3.478 1.00 30.13 C ATOM 737 O LEU A 48 19.563 -17.831 -2.813 1.00 71.42 O ATOM 738 CB LEU A 48 18.487 -16.437 -5.626 1.00 22.32 C ATOM 739 CG LEU A 48 18.444 -16.391 -7.154 1.00 2.34 C ATOM 740 CD1 LEU A 48 17.006 -16.418 -7.648 1.00 43.52 C ATOM 741 CD2 LEU A 48 19.165 -15.154 -7.670 1.00 13.21 C ATOM 0 H LEU A 48 16.553 -18.223 -5.440 1.00 44.34 H new ATOM 0 HA LEU A 48 19.504 -18.300 -5.291 1.00 24.35 H new ATOM 0 HB2 LEU A 48 17.598 -15.937 -5.242 1.00 22.32 H new ATOM 0 HB3 LEU A 48 19.348 -15.860 -5.289 1.00 22.32 H new ATOM 0 HG LEU A 48 18.955 -17.273 -7.540 1.00 2.34 H new ATOM 0 HD11 LEU A 48 16.995 -16.385 -8.737 1.00 43.52 H new ATOM 0 HD12 LEU A 48 16.522 -17.333 -7.308 1.00 43.52 H new ATOM 0 HD13 LEU A 48 16.469 -15.555 -7.253 1.00 43.52 H new ATOM 0 HD21 LEU A 48 19.125 -15.137 -8.759 1.00 13.21 H new ATOM 0 HD22 LEU A 48 18.682 -14.260 -7.275 1.00 13.21 H new ATOM 0 HD23 LEU A 48 20.205 -15.177 -7.346 1.00 13.21 H new ATOM 753 N LEU A 49 17.341 -17.497 -2.932 1.00 61.11 N ATOM 754 CA LEU A 49 17.172 -17.372 -1.489 1.00 2.05 C ATOM 755 C LEU A 49 15.758 -17.761 -1.070 1.00 11.10 C ATOM 756 O LEU A 49 14.910 -18.055 -1.912 1.00 65.12 O ATOM 757 CB LEU A 49 17.473 -15.940 -1.042 1.00 72.12 C ATOM 758 CG LEU A 49 18.932 -15.496 -1.149 1.00 40.15 C ATOM 759 CD1 LEU A 49 19.201 -14.869 -2.509 1.00 14.13 C ATOM 760 CD2 LEU A 49 19.276 -14.521 -0.033 1.00 22.01 C ATOM 0 H LEU A 49 16.478 -17.401 -3.467 1.00 61.11 H new ATOM 0 HA LEU A 49 17.874 -18.052 -1.006 1.00 2.05 H new ATOM 0 HB2 LEU A 49 16.863 -15.260 -1.636 1.00 72.12 H new ATOM 0 HB3 LEU A 49 17.156 -15.830 -0.005 1.00 72.12 H new ATOM 0 HG LEU A 49 19.568 -16.375 -1.045 1.00 40.15 H new ATOM 0 HD11 LEU A 49 20.244 -14.559 -2.567 1.00 14.13 H new ATOM 0 HD12 LEU A 49 18.995 -15.598 -3.293 1.00 14.13 H new ATOM 0 HD13 LEU A 49 18.557 -14.000 -2.643 1.00 14.13 H new ATOM 0 HD21 LEU A 49 20.318 -14.216 -0.125 1.00 22.01 H new ATOM 0 HD22 LEU A 49 18.633 -13.644 -0.105 1.00 22.01 H new ATOM 0 HD23 LEU A 49 19.123 -15.004 0.932 1.00 22.01 H new ATOM 772 N GLU A 50 15.511 -17.758 0.236 1.00 13.32 N ATOM 773 CA GLU A 50 14.198 -18.109 0.765 1.00 2.04 C ATOM 774 C GLU A 50 13.964 -17.450 2.122 1.00 41.55 C ATOM 775 O GLU A 50 14.896 -17.266 2.904 1.00 22.15 O ATOM 776 CB GLU A 50 14.066 -19.628 0.895 1.00 53.20 C ATOM 777 CG GLU A 50 13.294 -20.271 -0.245 1.00 41.11 C ATOM 778 CD GLU A 50 13.840 -21.634 -0.623 1.00 32.20 C ATOM 779 OE1 GLU A 50 14.232 -22.391 0.290 1.00 43.43 O ATOM 780 OE2 GLU A 50 13.874 -21.945 -1.832 1.00 51.53 O ATOM 0 H GLU A 50 16.202 -17.517 0.947 1.00 13.32 H new ATOM 0 HA GLU A 50 13.444 -17.744 0.068 1.00 2.04 H new ATOM 0 HB2 GLU A 50 15.062 -20.068 0.942 1.00 53.20 H new ATOM 0 HB3 GLU A 50 13.569 -19.862 1.837 1.00 53.20 H new ATOM 0 HG2 GLU A 50 12.247 -20.370 0.040 1.00 41.11 H new ATOM 0 HG3 GLU A 50 13.327 -19.616 -1.116 1.00 41.11 H new ATOM 787 N VAL A 51 12.712 -17.094 2.392 1.00 31.51 N ATOM 788 CA VAL A 51 12.354 -16.456 3.653 1.00 52.10 C ATOM 789 C VAL A 51 11.901 -17.486 4.682 1.00 63.14 C ATOM 790 O VAL A 51 11.152 -18.408 4.363 1.00 22.51 O ATOM 791 CB VAL A 51 11.235 -15.416 3.457 1.00 34.04 C ATOM 792 CG1 VAL A 51 10.059 -16.030 2.712 1.00 45.23 C ATOM 793 CG2 VAL A 51 10.790 -14.854 4.799 1.00 1.42 C ATOM 0 H VAL A 51 11.929 -17.237 1.754 1.00 31.51 H new ATOM 0 HA VAL A 51 13.249 -15.952 4.018 1.00 52.10 H new ATOM 0 HB VAL A 51 11.627 -14.595 2.856 1.00 34.04 H new ATOM 0 HG11 VAL A 51 9.278 -15.280 2.583 1.00 45.23 H new ATOM 0 HG12 VAL A 51 10.390 -16.381 1.735 1.00 45.23 H new ATOM 0 HG13 VAL A 51 9.664 -16.870 3.284 1.00 45.23 H new ATOM 0 HG21 VAL A 51 9.999 -14.121 4.642 1.00 1.42 H new ATOM 0 HG22 VAL A 51 10.416 -15.663 5.426 1.00 1.42 H new ATOM 0 HG23 VAL A 51 11.636 -14.375 5.292 1.00 1.42 H new ATOM 803 N ASN A 52 12.361 -17.322 5.918 1.00 45.34 N ATOM 804 CA ASN A 52 12.004 -18.238 6.995 1.00 52.25 C ATOM 805 C ASN A 52 10.969 -17.609 7.922 1.00 14.03 C ATOM 806 O ASN A 52 11.252 -16.629 8.613 1.00 55.12 O ATOM 807 CB ASN A 52 13.249 -18.631 7.793 1.00 54.53 C ATOM 808 CG ASN A 52 12.937 -19.618 8.901 1.00 42.30 C ATOM 809 OD1 ASN A 52 11.810 -20.099 9.020 1.00 65.31 O ATOM 810 ND2 ASN A 52 13.938 -19.923 9.719 1.00 34.41 N ATOM 0 H ASN A 52 12.982 -16.563 6.199 1.00 45.34 H new ATOM 0 HA ASN A 52 11.570 -19.133 6.549 1.00 52.25 H new ATOM 0 HB2 ASN A 52 13.987 -19.067 7.119 1.00 54.53 H new ATOM 0 HB3 ASN A 52 13.699 -17.736 8.223 1.00 54.53 H new ATOM 0 HD21 ASN A 52 13.789 -20.581 10.484 1.00 34.41 H new ATOM 0 HD22 ASN A 52 14.856 -19.500 9.582 1.00 34.41 H new ATOM 817 N LEU A 53 9.769 -18.179 7.934 1.00 71.22 N ATOM 818 CA LEU A 53 8.690 -17.676 8.777 1.00 5.44 C ATOM 819 C LEU A 53 9.051 -17.800 10.254 1.00 3.53 C ATOM 820 O LEU A 53 8.419 -17.183 11.111 1.00 55.22 O ATOM 821 CB LEU A 53 7.395 -18.437 8.492 1.00 71.04 C ATOM 822 CG LEU A 53 6.674 -18.072 7.193 1.00 3.13 C ATOM 823 CD1 LEU A 53 5.411 -18.903 7.032 1.00 31.02 C ATOM 824 CD2 LEU A 53 6.345 -16.586 7.166 1.00 72.52 C ATOM 0 H LEU A 53 9.519 -18.990 7.369 1.00 71.22 H new ATOM 0 HA LEU A 53 8.542 -16.621 8.544 1.00 5.44 H new ATOM 0 HB2 LEU A 53 7.621 -19.503 8.472 1.00 71.04 H new ATOM 0 HB3 LEU A 53 6.710 -18.272 9.323 1.00 71.04 H new ATOM 0 HG LEU A 53 7.337 -18.292 6.357 1.00 3.13 H new ATOM 0 HD11 LEU A 53 4.912 -18.630 6.103 1.00 31.02 H new ATOM 0 HD12 LEU A 53 5.672 -19.961 7.006 1.00 31.02 H new ATOM 0 HD13 LEU A 53 4.742 -18.715 7.872 1.00 31.02 H new ATOM 0 HD21 LEU A 53 5.832 -16.344 6.235 1.00 72.52 H new ATOM 0 HD22 LEU A 53 5.700 -16.341 8.010 1.00 72.52 H new ATOM 0 HD23 LEU A 53 7.267 -16.008 7.234 1.00 72.52 H new ATOM 836 N GLN A 54 10.073 -18.599 10.543 1.00 1.25 N ATOM 837 CA GLN A 54 10.519 -18.802 11.917 1.00 53.31 C ATOM 838 C GLN A 54 10.761 -17.467 12.613 1.00 10.34 C ATOM 839 O GLN A 54 10.416 -17.294 13.781 1.00 1.45 O ATOM 840 CB GLN A 54 11.796 -19.643 11.942 1.00 42.20 C ATOM 841 CG GLN A 54 12.157 -20.160 13.325 1.00 33.41 C ATOM 842 CD GLN A 54 12.967 -21.441 13.276 1.00 11.31 C ATOM 843 OE1 GLN A 54 12.768 -22.282 12.399 1.00 13.12 O ATOM 844 NE2 GLN A 54 13.888 -21.595 14.220 1.00 32.43 N ATOM 0 H GLN A 54 10.608 -19.116 9.845 1.00 1.25 H new ATOM 0 HA GLN A 54 9.733 -19.333 12.453 1.00 53.31 H new ATOM 0 HB2 GLN A 54 11.677 -20.490 11.266 1.00 42.20 H new ATOM 0 HB3 GLN A 54 12.623 -19.044 11.560 1.00 42.20 H new ATOM 0 HG2 GLN A 54 12.724 -19.396 13.858 1.00 33.41 H new ATOM 0 HG3 GLN A 54 11.243 -20.334 13.894 1.00 33.41 H new ATOM 0 HE21 GLN A 54 14.019 -20.872 14.928 1.00 32.43 H new ATOM 0 HE22 GLN A 54 14.465 -22.436 14.238 1.00 32.43 H new ATOM 853 N ASN A 55 11.357 -16.526 11.888 1.00 51.11 N ATOM 854 CA ASN A 55 11.646 -15.206 12.437 1.00 63.12 C ATOM 855 C ASN A 55 11.458 -14.124 11.378 1.00 0.55 C ATOM 856 O ASN A 55 11.892 -12.986 11.555 1.00 65.13 O ATOM 857 CB ASN A 55 13.075 -15.160 12.981 1.00 4.45 C ATOM 858 CG ASN A 55 13.122 -15.280 14.492 1.00 4.15 C ATOM 859 OD1 ASN A 55 14.035 -14.544 15.116 1.00 4.23 O flip ATOM 860 ND2 ASN A 55 12.347 -16.026 15.091 1.00 12.23 N flip ATOM 0 H ASN A 55 11.649 -16.653 10.919 1.00 51.11 H new ATOM 0 HA ASN A 55 10.947 -15.017 13.252 1.00 63.12 H new ATOM 0 HB2 ASN A 55 13.656 -15.968 12.537 1.00 4.45 H new ATOM 0 HB3 ASN A 55 13.546 -14.225 12.679 1.00 4.45 H new ATOM 0 HD21 ASN A 55 11.661 -16.573 14.571 1.00 12.23 H new ATOM 0 HD22 ASN A 55 12.391 -16.097 16.108 1.00 12.23 H new ATOM 867 N GLY A 56 10.806 -14.486 10.278 1.00 61.32 N ATOM 868 CA GLY A 56 10.571 -13.535 9.207 1.00 21.13 C ATOM 869 C GLY A 56 11.856 -12.938 8.670 1.00 5.31 C ATOM 870 O GLY A 56 11.886 -11.776 8.262 1.00 34.30 O ATOM 0 H GLY A 56 10.436 -15.421 10.109 1.00 61.32 H new ATOM 0 HA2 GLY A 56 10.037 -14.030 8.396 1.00 21.13 H new ATOM 0 HA3 GLY A 56 9.926 -12.735 9.571 1.00 21.13 H new ATOM 874 N ILE A 57 12.922 -13.732 8.671 1.00 12.33 N ATOM 875 CA ILE A 57 14.216 -13.274 8.181 1.00 52.31 C ATOM 876 C ILE A 57 14.585 -13.967 6.874 1.00 62.20 C ATOM 877 O ILE A 57 14.122 -15.073 6.593 1.00 60.33 O ATOM 878 CB ILE A 57 15.330 -13.524 9.214 1.00 0.53 C ATOM 879 CG1 ILE A 57 16.598 -12.760 8.824 1.00 34.45 C ATOM 880 CG2 ILE A 57 15.617 -15.013 9.334 1.00 45.33 C ATOM 881 CD1 ILE A 57 16.377 -11.275 8.642 1.00 74.13 C ATOM 0 H ILE A 57 12.915 -14.695 9.006 1.00 12.33 H new ATOM 0 HA ILE A 57 14.126 -12.201 8.008 1.00 52.31 H new ATOM 0 HB ILE A 57 14.994 -13.160 10.185 1.00 0.53 H new ATOM 0 HG12 ILE A 57 17.356 -12.915 9.592 1.00 34.45 H new ATOM 0 HG13 ILE A 57 16.993 -13.177 7.897 1.00 34.45 H new ATOM 0 HG21 ILE A 57 16.407 -15.173 10.068 1.00 45.33 H new ATOM 0 HG22 ILE A 57 14.714 -15.533 9.653 1.00 45.33 H new ATOM 0 HG23 ILE A 57 15.936 -15.401 8.367 1.00 45.33 H new ATOM 0 HD11 ILE A 57 17.318 -10.798 8.367 1.00 74.13 H new ATOM 0 HD12 ILE A 57 15.642 -11.110 7.854 1.00 74.13 H new ATOM 0 HD13 ILE A 57 16.011 -10.845 9.574 1.00 74.13 H new ATOM 893 N LEU A 58 15.423 -13.311 6.079 1.00 23.21 N ATOM 894 CA LEU A 58 15.858 -13.865 4.801 1.00 33.13 C ATOM 895 C LEU A 58 17.189 -14.595 4.948 1.00 1.35 C ATOM 896 O LEU A 58 18.147 -14.054 5.501 1.00 24.22 O ATOM 897 CB LEU A 58 15.985 -12.754 3.758 1.00 53.30 C ATOM 898 CG LEU A 58 15.186 -12.949 2.469 1.00 40.22 C ATOM 899 CD1 LEU A 58 15.626 -14.218 1.755 1.00 0.40 C ATOM 900 CD2 LEU A 58 13.694 -12.992 2.767 1.00 64.40 C ATOM 0 H LEU A 58 15.815 -12.395 6.297 1.00 23.21 H new ATOM 0 HA LEU A 58 15.107 -14.582 4.470 1.00 33.13 H new ATOM 0 HB2 LEU A 58 15.673 -11.815 4.216 1.00 53.30 H new ATOM 0 HB3 LEU A 58 17.038 -12.647 3.497 1.00 53.30 H new ATOM 0 HG LEU A 58 15.380 -12.101 1.812 1.00 40.22 H new ATOM 0 HD11 LEU A 58 15.046 -14.340 0.840 1.00 0.40 H new ATOM 0 HD12 LEU A 58 16.685 -14.147 1.507 1.00 0.40 H new ATOM 0 HD13 LEU A 58 15.462 -15.077 2.406 1.00 0.40 H new ATOM 0 HD21 LEU A 58 13.141 -13.131 1.838 1.00 64.40 H new ATOM 0 HD22 LEU A 58 13.482 -13.820 3.443 1.00 64.40 H new ATOM 0 HD23 LEU A 58 13.389 -12.055 3.234 1.00 64.40 H new ATOM 912 N PHE A 59 17.242 -15.825 4.448 1.00 3.24 N ATOM 913 CA PHE A 59 18.457 -16.628 4.523 1.00 72.50 C ATOM 914 C PHE A 59 18.933 -17.026 3.129 1.00 53.54 C ATOM 915 O PHE A 59 18.131 -17.378 2.263 1.00 12.25 O ATOM 916 CB PHE A 59 18.214 -17.881 5.367 1.00 33.31 C ATOM 917 CG PHE A 59 17.156 -18.787 4.805 1.00 55.11 C ATOM 918 CD1 PHE A 59 17.472 -19.725 3.836 1.00 75.32 C ATOM 919 CD2 PHE A 59 15.845 -18.699 5.245 1.00 33.42 C ATOM 920 CE1 PHE A 59 16.500 -20.561 3.317 1.00 42.55 C ATOM 921 CE2 PHE A 59 14.869 -19.532 4.730 1.00 24.10 C ATOM 922 CZ PHE A 59 15.197 -20.463 3.764 1.00 42.14 C ATOM 0 H PHE A 59 16.458 -16.287 3.987 1.00 3.24 H new ATOM 0 HA PHE A 59 19.233 -16.025 4.995 1.00 72.50 H new ATOM 0 HB2 PHE A 59 19.148 -18.437 5.455 1.00 33.31 H new ATOM 0 HB3 PHE A 59 17.926 -17.580 6.374 1.00 33.31 H new ATOM 0 HD1 PHE A 59 18.489 -19.804 3.482 1.00 75.32 H new ATOM 0 HD2 PHE A 59 15.583 -17.971 5.999 1.00 33.42 H new ATOM 0 HE1 PHE A 59 16.760 -21.289 2.563 1.00 42.55 H new ATOM 0 HE2 PHE A 59 13.851 -19.455 5.083 1.00 24.10 H new ATOM 0 HZ PHE A 59 14.436 -21.113 3.359 1.00 42.14 H new ATOM 932 N VAL A 60 20.244 -16.965 2.918 1.00 72.32 N ATOM 933 CA VAL A 60 20.828 -17.319 1.630 1.00 40.34 C ATOM 934 C VAL A 60 20.553 -18.778 1.283 1.00 0.32 C ATOM 935 O VAL A 60 20.547 -19.643 2.157 1.00 33.14 O ATOM 936 CB VAL A 60 22.349 -17.078 1.618 1.00 2.31 C ATOM 937 CG1 VAL A 60 22.948 -17.505 0.287 1.00 72.52 C ATOM 938 CG2 VAL A 60 22.659 -15.616 1.906 1.00 31.54 C ATOM 0 H VAL A 60 20.922 -16.674 3.623 1.00 72.32 H new ATOM 0 HA VAL A 60 20.360 -16.677 0.884 1.00 40.34 H new ATOM 0 HB VAL A 60 22.801 -17.684 2.403 1.00 2.31 H new ATOM 0 HG11 VAL A 60 24.023 -17.327 0.298 1.00 72.52 H new ATOM 0 HG12 VAL A 60 22.758 -18.566 0.126 1.00 72.52 H new ATOM 0 HG13 VAL A 60 22.493 -16.928 -0.518 1.00 72.52 H new ATOM 0 HG21 VAL A 60 23.738 -15.464 1.894 1.00 31.54 H new ATOM 0 HG22 VAL A 60 22.195 -14.989 1.145 1.00 31.54 H new ATOM 0 HG23 VAL A 60 22.266 -15.347 2.886 1.00 31.54 H new ATOM 948 N ASN A 61 20.326 -19.043 0.001 1.00 64.03 N ATOM 949 CA ASN A 61 20.051 -20.398 -0.462 1.00 74.32 C ATOM 950 C ASN A 61 20.572 -20.605 -1.881 1.00 71.11 C ATOM 951 O ASN A 61 19.879 -21.162 -2.733 1.00 4.12 O ATOM 952 CB ASN A 61 18.548 -20.680 -0.413 1.00 33.41 C ATOM 953 CG ASN A 61 18.233 -22.159 -0.530 1.00 71.30 C ATOM 954 OD1 ASN A 61 19.129 -23.002 -0.475 1.00 75.20 O ATOM 955 ND2 ASN A 61 16.955 -22.481 -0.693 1.00 12.12 N ATOM 0 H ASN A 61 20.327 -18.338 -0.736 1.00 64.03 H new ATOM 0 HA ASN A 61 20.567 -21.093 0.200 1.00 74.32 H new ATOM 0 HB2 ASN A 61 18.140 -20.297 0.522 1.00 33.41 H new ATOM 0 HB3 ASN A 61 18.053 -20.141 -1.221 1.00 33.41 H new ATOM 0 HD21 ASN A 61 16.683 -23.460 -0.778 1.00 12.12 H new ATOM 0 HD22 ASN A 61 16.246 -21.749 -0.733 1.00 12.12 H new ATOM 962 N SER A 62 21.798 -20.153 -2.127 1.00 75.21 N ATOM 963 CA SER A 62 22.411 -20.286 -3.443 1.00 41.53 C ATOM 964 C SER A 62 23.872 -19.846 -3.408 1.00 73.15 C ATOM 965 O SER A 62 24.439 -19.623 -2.339 1.00 12.12 O ATOM 966 CB SER A 62 21.642 -19.457 -4.474 1.00 12.43 C ATOM 967 OG SER A 62 21.756 -18.071 -4.201 1.00 42.34 O ATOM 0 H SER A 62 22.386 -19.692 -1.432 1.00 75.21 H new ATOM 0 HA SER A 62 22.372 -21.337 -3.730 1.00 41.53 H new ATOM 0 HB2 SER A 62 22.025 -19.667 -5.473 1.00 12.43 H new ATOM 0 HB3 SER A 62 20.591 -19.747 -4.468 1.00 12.43 H new ATOM 0 HG SER A 62 21.006 -17.786 -3.639 1.00 42.34 H new ATOM 973 N ARG A 63 24.475 -19.724 -4.587 1.00 34.14 N ATOM 974 CA ARG A 63 25.869 -19.313 -4.692 1.00 43.21 C ATOM 975 C ARG A 63 25.978 -17.803 -4.886 1.00 73.20 C ATOM 976 O ARG A 63 25.436 -17.250 -5.844 1.00 24.21 O ATOM 977 CB ARG A 63 26.550 -20.037 -5.855 1.00 23.33 C ATOM 978 CG ARG A 63 26.730 -21.529 -5.622 1.00 15.43 C ATOM 979 CD ARG A 63 28.200 -21.906 -5.537 1.00 61.44 C ATOM 980 NE ARG A 63 28.819 -21.427 -4.304 1.00 54.03 N ATOM 981 CZ ARG A 63 28.681 -22.032 -3.130 1.00 11.23 C ATOM 982 NH1 ARG A 63 27.951 -23.134 -3.029 1.00 54.13 N ATOM 983 NH2 ARG A 63 29.275 -21.535 -2.052 1.00 51.43 N ATOM 0 H ARG A 63 24.019 -19.904 -5.482 1.00 34.14 H new ATOM 0 HA ARG A 63 26.371 -19.580 -3.762 1.00 43.21 H new ATOM 0 HB2 ARG A 63 25.961 -19.888 -6.760 1.00 23.33 H new ATOM 0 HB3 ARG A 63 27.526 -19.585 -6.032 1.00 23.33 H new ATOM 0 HG2 ARG A 63 26.225 -21.818 -4.700 1.00 15.43 H new ATOM 0 HG3 ARG A 63 26.257 -22.084 -6.432 1.00 15.43 H new ATOM 0 HD2 ARG A 63 28.300 -22.990 -5.595 1.00 61.44 H new ATOM 0 HD3 ARG A 63 28.731 -21.491 -6.394 1.00 61.44 H new ATOM 0 HE ARG A 63 29.388 -20.582 -4.347 1.00 54.03 H new ATOM 0 HH11 ARG A 63 27.493 -23.520 -3.855 1.00 54.13 H new ATOM 0 HH12 ARG A 63 27.847 -23.596 -2.126 1.00 54.13 H new ATOM 0 HH21 ARG A 63 29.838 -20.688 -2.125 1.00 51.43 H new ATOM 0 HH22 ARG A 63 29.168 -22.000 -1.151 1.00 51.43 H new ATOM 997 N ILE A 64 26.680 -17.143 -3.971 1.00 35.31 N ATOM 998 CA ILE A 64 26.859 -15.699 -4.042 1.00 41.50 C ATOM 999 C ILE A 64 28.291 -15.341 -4.426 1.00 11.35 C ATOM 1000 O ILE A 64 28.567 -14.223 -4.861 1.00 11.30 O ATOM 1001 CB ILE A 64 26.514 -15.022 -2.702 1.00 50.33 C ATOM 1002 CG1 ILE A 64 25.202 -15.580 -2.147 1.00 23.33 C ATOM 1003 CG2 ILE A 64 26.421 -13.514 -2.879 1.00 50.43 C ATOM 1004 CD1 ILE A 64 24.030 -15.419 -3.089 1.00 32.13 C ATOM 0 H ILE A 64 27.134 -17.586 -3.172 1.00 35.31 H new ATOM 0 HA ILE A 64 26.177 -15.334 -4.810 1.00 41.50 H new ATOM 0 HB ILE A 64 27.309 -15.236 -1.988 1.00 50.33 H new ATOM 0 HG12 ILE A 64 25.333 -16.638 -1.921 1.00 23.33 H new ATOM 0 HG13 ILE A 64 24.973 -15.079 -1.206 1.00 23.33 H new ATOM 0 HG21 ILE A 64 26.177 -13.050 -1.924 1.00 50.43 H new ATOM 0 HG22 ILE A 64 27.377 -13.130 -3.235 1.00 50.43 H new ATOM 0 HG23 ILE A 64 25.643 -13.280 -3.605 1.00 50.43 H new ATOM 0 HD11 ILE A 64 23.134 -15.837 -2.630 1.00 32.13 H new ATOM 0 HD12 ILE A 64 23.872 -14.360 -3.296 1.00 32.13 H new ATOM 0 HD13 ILE A 64 24.238 -15.944 -4.022 1.00 32.13 H new ATOM 1016 N ASP A 65 29.198 -16.298 -4.262 1.00 52.45 N ATOM 1017 CA ASP A 65 30.602 -16.085 -4.594 1.00 72.05 C ATOM 1018 C ASP A 65 30.744 -15.458 -5.978 1.00 22.21 C ATOM 1019 O ASP A 65 30.047 -15.840 -6.918 1.00 20.20 O ATOM 1020 CB ASP A 65 31.367 -17.408 -4.539 1.00 60.22 C ATOM 1021 CG ASP A 65 30.761 -18.466 -5.441 1.00 10.41 C ATOM 1022 OD1 ASP A 65 29.608 -18.872 -5.187 1.00 74.11 O ATOM 1023 OD2 ASP A 65 31.440 -18.886 -6.401 1.00 13.11 O ATOM 0 H ASP A 65 28.986 -17.228 -3.901 1.00 52.45 H new ATOM 0 HA ASP A 65 31.024 -15.399 -3.859 1.00 72.05 H new ATOM 0 HB2 ASP A 65 32.404 -17.237 -4.830 1.00 60.22 H new ATOM 0 HB3 ASP A 65 31.380 -17.774 -3.512 1.00 60.22 H new ATOM 1028 N ARG A 66 31.651 -14.493 -6.094 1.00 73.44 N ATOM 1029 CA ARG A 66 31.883 -13.812 -7.362 1.00 73.13 C ATOM 1030 C ARG A 66 32.170 -14.816 -8.475 1.00 33.44 C ATOM 1031 O ARG A 66 31.973 -14.524 -9.653 1.00 50.45 O ATOM 1032 CB ARG A 66 33.050 -12.831 -7.233 1.00 34.35 C ATOM 1033 CG ARG A 66 34.252 -13.408 -6.503 1.00 72.21 C ATOM 1034 CD ARG A 66 35.549 -12.769 -6.974 1.00 14.52 C ATOM 1035 NE ARG A 66 36.275 -13.626 -7.906 1.00 62.31 N ATOM 1036 CZ ARG A 66 37.016 -14.662 -7.527 1.00 44.52 C ATOM 1037 NH1 ARG A 66 37.128 -14.966 -6.242 1.00 31.04 N ATOM 1038 NH2 ARG A 66 37.648 -15.395 -8.435 1.00 55.12 N ATOM 0 H ARG A 66 32.237 -14.166 -5.326 1.00 73.44 H new ATOM 0 HA ARG A 66 30.979 -13.260 -7.619 1.00 73.13 H new ATOM 0 HB2 ARG A 66 33.358 -12.513 -8.229 1.00 34.35 H new ATOM 0 HB3 ARG A 66 32.708 -11.940 -6.706 1.00 34.35 H new ATOM 0 HG2 ARG A 66 34.137 -13.252 -5.430 1.00 72.21 H new ATOM 0 HG3 ARG A 66 34.296 -14.485 -6.666 1.00 72.21 H new ATOM 0 HD2 ARG A 66 35.330 -11.815 -7.454 1.00 14.52 H new ATOM 0 HD3 ARG A 66 36.181 -12.554 -6.112 1.00 14.52 H new ATOM 0 HE ARG A 66 36.210 -13.418 -8.903 1.00 62.31 H new ATOM 0 HH11 ARG A 66 36.645 -14.404 -5.541 1.00 31.04 H new ATOM 0 HH12 ARG A 66 37.697 -15.762 -5.954 1.00 31.04 H new ATOM 0 HH21 ARG A 66 37.565 -15.163 -9.425 1.00 55.12 H new ATOM 0 HH22 ARG A 66 38.216 -16.190 -8.143 1.00 55.12 H new ATOM 1052 N GLU A 67 32.636 -16.000 -8.090 1.00 62.42 N ATOM 1053 CA GLU A 67 32.951 -17.047 -9.056 1.00 3.43 C ATOM 1054 C GLU A 67 31.685 -17.559 -9.736 1.00 11.31 C ATOM 1055 O GLU A 67 31.572 -17.531 -10.961 1.00 22.31 O ATOM 1056 CB GLU A 67 33.678 -18.204 -8.368 1.00 34.42 C ATOM 1057 CG GLU A 67 35.105 -18.401 -8.851 1.00 74.04 C ATOM 1058 CD GLU A 67 35.293 -19.708 -9.596 1.00 23.40 C ATOM 1059 OE1 GLU A 67 34.556 -19.946 -10.576 1.00 3.35 O ATOM 1060 OE2 GLU A 67 36.179 -20.494 -9.198 1.00 71.35 O ATOM 0 H GLU A 67 32.804 -16.258 -7.118 1.00 62.42 H new ATOM 0 HA GLU A 67 33.603 -16.619 -9.817 1.00 3.43 H new ATOM 0 HB2 GLU A 67 33.689 -18.027 -7.293 1.00 34.42 H new ATOM 0 HB3 GLU A 67 33.117 -19.124 -8.534 1.00 34.42 H new ATOM 0 HG2 GLU A 67 35.382 -17.572 -9.503 1.00 74.04 H new ATOM 0 HG3 GLU A 67 35.781 -18.374 -7.996 1.00 74.04 H new ATOM 1067 N GLU A 68 30.735 -18.026 -8.931 1.00 43.42 N ATOM 1068 CA GLU A 68 29.478 -18.545 -9.456 1.00 31.34 C ATOM 1069 C GLU A 68 28.499 -17.411 -9.744 1.00 74.13 C ATOM 1070 O GLU A 68 27.928 -17.330 -10.833 1.00 61.20 O ATOM 1071 CB GLU A 68 28.855 -19.532 -8.465 1.00 44.52 C ATOM 1072 CG GLU A 68 28.375 -20.821 -9.110 1.00 43.34 C ATOM 1073 CD GLU A 68 29.518 -21.688 -9.601 1.00 21.41 C ATOM 1074 OE1 GLU A 68 30.533 -21.795 -8.880 1.00 74.13 O ATOM 1075 OE2 GLU A 68 29.398 -22.260 -10.704 1.00 65.05 O ATOM 0 H GLU A 68 30.812 -18.055 -7.914 1.00 43.42 H new ATOM 0 HA GLU A 68 29.691 -19.064 -10.391 1.00 31.34 H new ATOM 0 HB2 GLU A 68 29.588 -19.772 -7.695 1.00 44.52 H new ATOM 0 HB3 GLU A 68 28.014 -19.050 -7.966 1.00 44.52 H new ATOM 0 HG2 GLU A 68 27.780 -21.384 -8.390 1.00 43.34 H new ATOM 0 HG3 GLU A 68 27.720 -20.582 -9.947 1.00 43.34 H new ATOM 1082 N LEU A 69 28.308 -16.538 -8.762 1.00 3.51 N ATOM 1083 CA LEU A 69 27.398 -15.407 -8.909 1.00 33.33 C ATOM 1084 C LEU A 69 27.624 -14.695 -10.238 1.00 72.04 C ATOM 1085 O LEU A 69 26.803 -14.786 -11.152 1.00 33.45 O ATOM 1086 CB LEU A 69 27.584 -14.424 -7.752 1.00 54.41 C ATOM 1087 CG LEU A 69 26.380 -13.539 -7.423 1.00 64.23 C ATOM 1088 CD1 LEU A 69 25.189 -14.390 -7.010 1.00 65.02 C ATOM 1089 CD2 LEU A 69 26.733 -12.545 -6.327 1.00 43.50 C ATOM 0 H LEU A 69 28.771 -16.591 -7.855 1.00 3.51 H new ATOM 0 HA LEU A 69 26.377 -15.789 -8.892 1.00 33.33 H new ATOM 0 HB2 LEU A 69 27.848 -14.991 -6.859 1.00 54.41 H new ATOM 0 HB3 LEU A 69 28.432 -13.779 -7.982 1.00 54.41 H new ATOM 0 HG LEU A 69 26.108 -12.981 -8.319 1.00 64.23 H new ATOM 0 HD11 LEU A 69 24.342 -13.743 -6.780 1.00 65.02 H new ATOM 0 HD12 LEU A 69 24.921 -15.062 -7.826 1.00 65.02 H new ATOM 0 HD13 LEU A 69 25.449 -14.976 -6.128 1.00 65.02 H new ATOM 0 HD21 LEU A 69 25.865 -11.924 -6.106 1.00 43.50 H new ATOM 0 HD22 LEU A 69 27.031 -13.085 -5.428 1.00 43.50 H new ATOM 0 HD23 LEU A 69 27.556 -11.913 -6.660 1.00 43.50 H new ATOM 1101 N CYS A 70 28.744 -13.987 -10.342 1.00 34.14 N ATOM 1102 CA CYS A 70 29.080 -13.260 -11.560 1.00 30.33 C ATOM 1103 C CYS A 70 30.562 -12.897 -11.585 1.00 12.44 C ATOM 1104 O CYS A 70 31.285 -13.257 -12.512 1.00 72.03 O ATOM 1105 CB CYS A 70 28.231 -11.993 -11.673 1.00 55.24 C ATOM 1106 SG CYS A 70 27.773 -11.258 -10.070 1.00 62.14 S ATOM 0 H CYS A 70 29.435 -13.901 -9.596 1.00 34.14 H new ATOM 0 HA CYS A 70 28.868 -13.908 -12.411 1.00 30.33 H new ATOM 0 HB2 CYS A 70 28.778 -11.253 -12.257 1.00 55.24 H new ATOM 0 HB3 CYS A 70 27.321 -12.226 -12.227 1.00 55.24 H new ATOM 1111 N GLY A 71 31.007 -12.180 -10.557 1.00 50.40 N ATOM 1112 CA GLY A 71 32.400 -11.779 -10.480 1.00 33.10 C ATOM 1113 C GLY A 71 32.804 -10.865 -11.619 1.00 50.15 C ATOM 1114 O GLY A 71 33.992 -10.645 -11.856 1.00 11.42 O ATOM 0 H GLY A 71 30.428 -11.870 -9.777 1.00 50.40 H new ATOM 0 HA2 GLY A 71 32.577 -11.272 -9.531 1.00 33.10 H new ATOM 0 HA3 GLY A 71 33.032 -12.667 -10.490 1.00 33.10 H new ATOM 1118 N ARG A 72 31.814 -10.333 -12.329 1.00 1.33 N ATOM 1119 CA ARG A 72 32.073 -9.440 -13.452 1.00 1.33 C ATOM 1120 C ARG A 72 32.576 -8.084 -12.964 1.00 31.23 C ATOM 1121 O ARG A 72 33.764 -7.777 -13.068 1.00 35.44 O ATOM 1122 CB ARG A 72 30.805 -9.255 -14.287 1.00 13.43 C ATOM 1123 CG ARG A 72 30.458 -10.461 -15.144 1.00 24.12 C ATOM 1124 CD ARG A 72 30.363 -10.090 -16.615 1.00 72.04 C ATOM 1125 NE ARG A 72 28.984 -9.847 -17.030 1.00 72.02 N ATOM 1126 CZ ARG A 72 28.601 -9.769 -18.300 1.00 21.41 C ATOM 1127 NH1 ARG A 72 29.489 -9.915 -19.274 1.00 21.35 N ATOM 1128 NH2 ARG A 72 27.328 -9.546 -18.598 1.00 15.22 N ATOM 0 H ARG A 72 30.825 -10.505 -12.146 1.00 1.33 H new ATOM 0 HA ARG A 72 32.846 -9.893 -14.073 1.00 1.33 H new ATOM 0 HB2 ARG A 72 29.969 -9.041 -13.621 1.00 13.43 H new ATOM 0 HB3 ARG A 72 30.929 -8.385 -14.932 1.00 13.43 H new ATOM 0 HG2 ARG A 72 31.215 -11.233 -15.011 1.00 24.12 H new ATOM 0 HG3 ARG A 72 29.510 -10.884 -14.812 1.00 24.12 H new ATOM 0 HD2 ARG A 72 30.961 -9.198 -16.803 1.00 72.04 H new ATOM 0 HD3 ARG A 72 30.788 -10.892 -17.219 1.00 72.04 H new ATOM 0 HE ARG A 72 28.276 -9.731 -16.305 1.00 72.02 H new ATOM 0 HH11 ARG A 72 30.469 -10.088 -19.049 1.00 21.35 H new ATOM 0 HH12 ARG A 72 29.192 -9.855 -20.248 1.00 21.35 H new ATOM 0 HH21 ARG A 72 26.642 -9.434 -17.852 1.00 15.22 H new ATOM 0 HH22 ARG A 72 27.035 -9.486 -19.573 1.00 15.22 H new ATOM 1142 N SER A 73 31.664 -7.277 -12.432 1.00 12.12 N ATOM 1143 CA SER A 73 32.014 -5.953 -11.932 1.00 14.52 C ATOM 1144 C SER A 73 32.228 -5.981 -10.421 1.00 72.25 C ATOM 1145 O SER A 73 31.949 -6.983 -9.763 1.00 2.20 O ATOM 1146 CB SER A 73 30.917 -4.945 -12.284 1.00 23.32 C ATOM 1147 OG SER A 73 31.429 -3.624 -12.313 1.00 32.02 O ATOM 0 H SER A 73 30.677 -7.517 -12.336 1.00 12.12 H new ATOM 0 HA SER A 73 32.946 -5.647 -12.408 1.00 14.52 H new ATOM 0 HB2 SER A 73 30.488 -5.194 -13.255 1.00 23.32 H new ATOM 0 HB3 SER A 73 30.111 -5.010 -11.553 1.00 23.32 H new ATOM 0 HG SER A 73 30.709 -2.999 -12.542 1.00 32.02 H new ATOM 1153 N ALA A 74 32.725 -4.874 -9.880 1.00 20.24 N ATOM 1154 CA ALA A 74 32.975 -4.770 -8.447 1.00 60.54 C ATOM 1155 C ALA A 74 31.718 -5.090 -7.646 1.00 74.10 C ATOM 1156 O ALA A 74 31.797 -5.503 -6.490 1.00 34.33 O ATOM 1157 CB ALA A 74 33.485 -3.380 -8.100 1.00 43.21 C ATOM 0 H ALA A 74 32.963 -4.037 -10.412 1.00 20.24 H new ATOM 0 HA ALA A 74 33.739 -5.501 -8.182 1.00 60.54 H new ATOM 0 HB1 ALA A 74 33.667 -3.317 -7.027 1.00 43.21 H new ATOM 0 HB2 ALA A 74 34.413 -3.188 -8.638 1.00 43.21 H new ATOM 0 HB3 ALA A 74 32.740 -2.637 -8.386 1.00 43.21 H new ATOM 1163 N GLU A 75 30.559 -4.895 -8.268 1.00 62.24 N ATOM 1164 CA GLU A 75 29.285 -5.162 -7.611 1.00 3.31 C ATOM 1165 C GLU A 75 28.391 -6.033 -8.489 1.00 45.41 C ATOM 1166 O GLU A 75 28.754 -6.379 -9.614 1.00 24.04 O ATOM 1167 CB GLU A 75 28.572 -3.849 -7.281 1.00 54.14 C ATOM 1168 CG GLU A 75 28.260 -3.680 -5.804 1.00 11.21 C ATOM 1169 CD GLU A 75 27.276 -2.556 -5.540 1.00 65.10 C ATOM 1170 OE1 GLU A 75 27.191 -1.633 -6.376 1.00 41.04 O ATOM 1171 OE2 GLU A 75 26.592 -2.601 -4.496 1.00 52.34 O ATOM 0 H GLU A 75 30.476 -4.553 -9.225 1.00 62.24 H new ATOM 0 HA GLU A 75 29.489 -5.700 -6.685 1.00 3.31 H new ATOM 0 HB2 GLU A 75 29.193 -3.016 -7.610 1.00 54.14 H new ATOM 0 HB3 GLU A 75 27.643 -3.798 -7.848 1.00 54.14 H new ATOM 0 HG2 GLU A 75 27.853 -4.613 -5.413 1.00 11.21 H new ATOM 0 HG3 GLU A 75 29.185 -3.483 -5.261 1.00 11.21 H new ATOM 1178 N CYS A 76 27.221 -6.384 -7.967 1.00 50.22 N ATOM 1179 CA CYS A 76 26.274 -7.215 -8.701 1.00 44.12 C ATOM 1180 C CYS A 76 24.865 -7.064 -8.136 1.00 2.44 C ATOM 1181 O CYS A 76 24.641 -7.252 -6.940 1.00 64.30 O ATOM 1182 CB CYS A 76 26.703 -8.683 -8.646 1.00 51.43 C ATOM 1183 SG CYS A 76 27.179 -9.379 -10.261 1.00 34.21 S ATOM 0 H CYS A 76 26.906 -6.106 -7.038 1.00 50.22 H new ATOM 0 HA CYS A 76 26.267 -6.884 -9.739 1.00 44.12 H new ATOM 0 HB2 CYS A 76 27.544 -8.779 -7.959 1.00 51.43 H new ATOM 0 HB3 CYS A 76 25.885 -9.274 -8.234 1.00 51.43 H new ATOM 1188 N SER A 77 23.919 -6.722 -9.004 1.00 34.00 N ATOM 1189 CA SER A 77 22.532 -6.542 -8.591 1.00 53.33 C ATOM 1190 C SER A 77 21.708 -7.790 -8.894 1.00 2.11 C ATOM 1191 O SER A 77 21.976 -8.504 -9.861 1.00 13.30 O ATOM 1192 CB SER A 77 21.921 -5.330 -9.298 1.00 34.13 C ATOM 1193 OG SER A 77 22.166 -5.376 -10.693 1.00 35.03 O ATOM 0 H SER A 77 24.087 -6.564 -9.998 1.00 34.00 H new ATOM 0 HA SER A 77 22.519 -6.372 -7.514 1.00 53.33 H new ATOM 0 HB2 SER A 77 20.847 -5.302 -9.115 1.00 34.13 H new ATOM 0 HB3 SER A 77 22.339 -4.413 -8.882 1.00 34.13 H new ATOM 0 HG SER A 77 21.764 -4.592 -11.122 1.00 35.03 H new ATOM 1199 N ILE A 78 20.706 -8.046 -8.060 1.00 20.30 N ATOM 1200 CA ILE A 78 19.843 -9.207 -8.238 1.00 55.01 C ATOM 1201 C ILE A 78 18.373 -8.825 -8.101 1.00 13.14 C ATOM 1202 O ILE A 78 18.006 -8.022 -7.242 1.00 45.30 O ATOM 1203 CB ILE A 78 20.171 -10.315 -7.220 1.00 11.44 C ATOM 1204 CG1 ILE A 78 21.637 -10.734 -7.344 1.00 41.22 C ATOM 1205 CG2 ILE A 78 19.253 -11.511 -7.424 1.00 1.34 C ATOM 1206 CD1 ILE A 78 22.520 -10.176 -6.250 1.00 42.32 C ATOM 0 H ILE A 78 20.472 -7.465 -7.255 1.00 20.30 H new ATOM 0 HA ILE A 78 20.026 -9.584 -9.244 1.00 55.01 H new ATOM 0 HB ILE A 78 20.008 -9.925 -6.215 1.00 11.44 H new ATOM 0 HG12 ILE A 78 21.698 -11.822 -7.329 1.00 41.22 H new ATOM 0 HG13 ILE A 78 22.019 -10.407 -8.311 1.00 41.22 H new ATOM 0 HG21 ILE A 78 19.497 -12.285 -6.697 1.00 1.34 H new ATOM 0 HG22 ILE A 78 18.217 -11.201 -7.290 1.00 1.34 H new ATOM 0 HG23 ILE A 78 19.386 -11.904 -8.432 1.00 1.34 H new ATOM 0 HD11 ILE A 78 23.545 -10.514 -6.402 1.00 42.32 H new ATOM 0 HD12 ILE A 78 22.489 -9.087 -6.278 1.00 42.32 H new ATOM 0 HD13 ILE A 78 22.163 -10.524 -5.281 1.00 42.32 H new ATOM 1218 N HIS A 79 17.533 -9.407 -8.951 1.00 64.23 N ATOM 1219 CA HIS A 79 16.102 -9.130 -8.923 1.00 52.35 C ATOM 1220 C HIS A 79 15.315 -10.375 -8.526 1.00 54.30 C ATOM 1221 O HIS A 79 15.653 -11.490 -8.925 1.00 4.21 O ATOM 1222 CB HIS A 79 15.631 -8.629 -10.289 1.00 63.14 C ATOM 1223 CG HIS A 79 16.524 -7.584 -10.885 1.00 22.35 C ATOM 1224 ND1 HIS A 79 17.482 -7.866 -11.836 1.00 11.32 N ATOM 1225 CD2 HIS A 79 16.600 -6.252 -10.660 1.00 14.44 C ATOM 1226 CE1 HIS A 79 18.109 -6.752 -12.169 1.00 1.20 C ATOM 1227 NE2 HIS A 79 17.592 -5.758 -11.470 1.00 2.52 N ATOM 0 H HIS A 79 17.819 -10.074 -9.668 1.00 64.23 H new ATOM 0 HA HIS A 79 15.922 -8.355 -8.178 1.00 52.35 H new ATOM 0 HB2 HIS A 79 15.567 -9.474 -10.974 1.00 63.14 H new ATOM 0 HB3 HIS A 79 14.625 -8.222 -10.190 1.00 63.14 H new ATOM 0 HD2 HIS A 79 15.993 -5.683 -9.971 1.00 14.44 H new ATOM 0 HE1 HIS A 79 18.908 -6.668 -12.890 1.00 1.20 H new ATOM 0 HE2 HIS A 79 17.883 -4.782 -11.523 1.00 2.52 H new ATOM 1235 N LEU A 80 14.264 -10.178 -7.738 1.00 13.42 N ATOM 1236 CA LEU A 80 13.428 -11.285 -7.285 1.00 41.44 C ATOM 1237 C LEU A 80 11.962 -10.869 -7.220 1.00 50.04 C ATOM 1238 O LEU A 80 11.648 -9.687 -7.087 1.00 51.21 O ATOM 1239 CB LEU A 80 13.893 -11.772 -5.912 1.00 62.42 C ATOM 1240 CG LEU A 80 13.072 -12.901 -5.288 1.00 25.34 C ATOM 1241 CD1 LEU A 80 13.959 -13.798 -4.436 1.00 55.55 C ATOM 1242 CD2 LEU A 80 11.930 -12.334 -4.457 1.00 43.13 C ATOM 0 H LEU A 80 13.970 -9.262 -7.399 1.00 13.42 H new ATOM 0 HA LEU A 80 13.524 -12.099 -8.004 1.00 41.44 H new ATOM 0 HB2 LEU A 80 14.927 -12.106 -5.998 1.00 62.42 H new ATOM 0 HB3 LEU A 80 13.888 -10.924 -5.227 1.00 62.42 H new ATOM 0 HG LEU A 80 12.647 -13.502 -6.092 1.00 25.34 H new ATOM 0 HD11 LEU A 80 13.358 -14.596 -4.000 1.00 55.55 H new ATOM 0 HD12 LEU A 80 14.742 -14.232 -5.058 1.00 55.55 H new ATOM 0 HD13 LEU A 80 14.413 -13.209 -3.639 1.00 55.55 H new ATOM 0 HD21 LEU A 80 11.357 -13.152 -4.021 1.00 43.13 H new ATOM 0 HD22 LEU A 80 12.335 -11.709 -3.661 1.00 43.13 H new ATOM 0 HD23 LEU A 80 11.280 -11.734 -5.094 1.00 43.13 H new ATOM 1254 N GLU A 81 11.069 -11.850 -7.313 1.00 44.23 N ATOM 1255 CA GLU A 81 9.636 -11.585 -7.263 1.00 44.13 C ATOM 1256 C GLU A 81 8.947 -12.507 -6.262 1.00 22.31 C ATOM 1257 O GLU A 81 8.967 -13.729 -6.410 1.00 63.24 O ATOM 1258 CB GLU A 81 9.014 -11.763 -8.650 1.00 13.14 C ATOM 1259 CG GLU A 81 9.008 -10.492 -9.482 1.00 44.12 C ATOM 1260 CD GLU A 81 9.942 -10.571 -10.674 1.00 63.52 C ATOM 1261 OE1 GLU A 81 11.152 -10.316 -10.497 1.00 51.24 O ATOM 1262 OE2 GLU A 81 9.464 -10.889 -11.783 1.00 41.22 O ATOM 0 H GLU A 81 11.313 -12.834 -7.423 1.00 44.23 H new ATOM 0 HA GLU A 81 9.494 -10.554 -6.938 1.00 44.13 H new ATOM 0 HB2 GLU A 81 9.562 -12.537 -9.188 1.00 13.14 H new ATOM 0 HB3 GLU A 81 7.990 -12.118 -8.537 1.00 13.14 H new ATOM 0 HG2 GLU A 81 7.994 -10.296 -9.832 1.00 44.12 H new ATOM 0 HG3 GLU A 81 9.297 -9.649 -8.854 1.00 44.12 H new ATOM 1269 N VAL A 82 8.338 -11.913 -5.241 1.00 11.12 N ATOM 1270 CA VAL A 82 7.642 -12.680 -4.215 1.00 12.45 C ATOM 1271 C VAL A 82 6.161 -12.826 -4.548 1.00 24.44 C ATOM 1272 O VAL A 82 5.397 -11.865 -4.462 1.00 3.43 O ATOM 1273 CB VAL A 82 7.782 -12.020 -2.830 1.00 23.55 C ATOM 1274 CG1 VAL A 82 7.454 -13.017 -1.728 1.00 52.21 C ATOM 1275 CG2 VAL A 82 9.183 -11.456 -2.648 1.00 40.44 C ATOM 0 H VAL A 82 8.313 -10.903 -5.102 1.00 11.12 H new ATOM 0 HA VAL A 82 8.105 -13.667 -4.188 1.00 12.45 H new ATOM 0 HB VAL A 82 7.071 -11.196 -2.766 1.00 23.55 H new ATOM 0 HG11 VAL A 82 7.558 -12.533 -0.757 1.00 52.21 H new ATOM 0 HG12 VAL A 82 6.430 -13.370 -1.850 1.00 52.21 H new ATOM 0 HG13 VAL A 82 8.139 -13.863 -1.787 1.00 52.21 H new ATOM 0 HG21 VAL A 82 9.264 -10.994 -1.664 1.00 40.44 H new ATOM 0 HG22 VAL A 82 9.913 -12.261 -2.732 1.00 40.44 H new ATOM 0 HG23 VAL A 82 9.377 -10.709 -3.417 1.00 40.44 H new ATOM 1285 N ILE A 83 5.763 -14.036 -4.927 1.00 42.34 N ATOM 1286 CA ILE A 83 4.373 -14.309 -5.272 1.00 4.32 C ATOM 1287 C ILE A 83 3.533 -14.545 -4.021 1.00 64.13 C ATOM 1288 O ILE A 83 3.765 -15.497 -3.275 1.00 51.34 O ATOM 1289 CB ILE A 83 4.253 -15.534 -6.197 1.00 31.23 C ATOM 1290 CG1 ILE A 83 5.255 -15.431 -7.349 1.00 35.52 C ATOM 1291 CG2 ILE A 83 2.834 -15.657 -6.731 1.00 33.11 C ATOM 1292 CD1 ILE A 83 6.549 -16.170 -7.092 1.00 22.25 C ATOM 0 H ILE A 83 6.383 -14.842 -5.003 1.00 42.34 H new ATOM 0 HA ILE A 83 3.999 -13.430 -5.797 1.00 4.32 H new ATOM 0 HB ILE A 83 4.482 -16.430 -5.620 1.00 31.23 H new ATOM 0 HG12 ILE A 83 4.795 -15.824 -8.256 1.00 35.52 H new ATOM 0 HG13 ILE A 83 5.477 -14.380 -7.534 1.00 35.52 H new ATOM 0 HG21 ILE A 83 2.765 -16.528 -7.383 1.00 33.11 H new ATOM 0 HG22 ILE A 83 2.140 -15.772 -5.898 1.00 33.11 H new ATOM 0 HG23 ILE A 83 2.578 -14.760 -7.295 1.00 33.11 H new ATOM 0 HD11 ILE A 83 7.211 -16.054 -7.950 1.00 22.25 H new ATOM 0 HD12 ILE A 83 7.031 -15.762 -6.204 1.00 22.25 H new ATOM 0 HD13 ILE A 83 6.339 -17.228 -6.937 1.00 22.25 H new ATOM 1304 N VAL A 84 2.555 -13.673 -3.799 1.00 20.14 N ATOM 1305 CA VAL A 84 1.677 -13.788 -2.640 1.00 25.20 C ATOM 1306 C VAL A 84 0.233 -14.024 -3.066 1.00 71.40 C ATOM 1307 O VAL A 84 -0.321 -13.269 -3.866 1.00 23.45 O ATOM 1308 CB VAL A 84 1.742 -12.526 -1.760 1.00 13.22 C ATOM 1309 CG1 VAL A 84 3.034 -12.499 -0.958 1.00 11.11 C ATOM 1310 CG2 VAL A 84 1.608 -11.274 -2.614 1.00 24.02 C ATOM 0 H VAL A 84 2.350 -12.879 -4.406 1.00 20.14 H new ATOM 0 HA VAL A 84 2.026 -14.643 -2.062 1.00 25.20 H new ATOM 0 HB VAL A 84 0.908 -12.550 -1.058 1.00 13.22 H new ATOM 0 HG11 VAL A 84 3.061 -11.600 -0.342 1.00 11.11 H new ATOM 0 HG12 VAL A 84 3.083 -13.379 -0.317 1.00 11.11 H new ATOM 0 HG13 VAL A 84 3.885 -12.499 -1.639 1.00 11.11 H new ATOM 0 HG21 VAL A 84 1.656 -10.392 -1.976 1.00 24.02 H new ATOM 0 HG22 VAL A 84 2.420 -11.241 -3.341 1.00 24.02 H new ATOM 0 HG23 VAL A 84 0.652 -11.291 -3.138 1.00 24.02 H new ATOM 1320 N ASP A 85 -0.373 -15.077 -2.527 1.00 5.44 N ATOM 1321 CA ASP A 85 -1.755 -15.412 -2.849 1.00 65.23 C ATOM 1322 C ASP A 85 -2.699 -14.948 -1.745 1.00 4.04 C ATOM 1323 O ASP A 85 -2.628 -15.427 -0.613 1.00 12.34 O ATOM 1324 CB ASP A 85 -1.900 -16.920 -3.061 1.00 25.01 C ATOM 1325 CG ASP A 85 -2.579 -17.258 -4.373 1.00 50.34 C ATOM 1326 OD1 ASP A 85 -3.363 -16.421 -4.869 1.00 4.31 O ATOM 1327 OD2 ASP A 85 -2.327 -18.359 -4.906 1.00 4.34 O ATOM 0 H ASP A 85 0.072 -15.713 -1.865 1.00 5.44 H new ATOM 0 HA ASP A 85 -2.023 -14.895 -3.771 1.00 65.23 H new ATOM 0 HB2 ASP A 85 -0.914 -17.384 -3.036 1.00 25.01 H new ATOM 0 HB3 ASP A 85 -2.474 -17.346 -2.238 1.00 25.01 H new ATOM 1332 N ARG A 86 -3.580 -14.012 -2.081 1.00 73.33 N ATOM 1333 CA ARG A 86 -4.537 -13.482 -1.117 1.00 43.44 C ATOM 1334 C ARG A 86 -3.826 -12.676 -0.034 1.00 12.41 C ATOM 1335 O ARG A 86 -3.497 -13.185 1.038 1.00 41.34 O ATOM 1336 CB ARG A 86 -5.336 -14.620 -0.480 1.00 3.21 C ATOM 1337 CG ARG A 86 -6.805 -14.624 -0.867 1.00 54.33 C ATOM 1338 CD ARG A 86 -7.220 -15.958 -1.468 1.00 45.24 C ATOM 1339 NE ARG A 86 -8.511 -15.876 -2.145 1.00 14.04 N ATOM 1340 CZ ARG A 86 -9.229 -16.939 -2.490 1.00 23.31 C ATOM 1341 NH1 ARG A 86 -8.783 -18.159 -2.223 1.00 64.15 N ATOM 1342 NH2 ARG A 86 -10.395 -16.784 -3.103 1.00 13.43 N ATOM 0 H ARG A 86 -3.651 -13.605 -3.013 1.00 73.33 H new ATOM 0 HA ARG A 86 -5.222 -12.821 -1.648 1.00 43.44 H new ATOM 0 HB2 ARG A 86 -4.890 -15.572 -0.769 1.00 3.21 H new ATOM 0 HB3 ARG A 86 -5.255 -14.547 0.605 1.00 3.21 H new ATOM 0 HG2 ARG A 86 -7.414 -14.415 0.012 1.00 54.33 H new ATOM 0 HG3 ARG A 86 -6.995 -13.826 -1.584 1.00 54.33 H new ATOM 0 HD2 ARG A 86 -6.460 -16.289 -2.176 1.00 45.24 H new ATOM 0 HD3 ARG A 86 -7.271 -16.710 -0.681 1.00 45.24 H new ATOM 0 HE ARG A 86 -8.882 -14.952 -2.365 1.00 14.04 H new ATOM 0 HH11 ARG A 86 -7.887 -18.283 -1.752 1.00 64.15 H new ATOM 0 HH12 ARG A 86 -9.336 -18.974 -2.489 1.00 64.15 H new ATOM 0 HH21 ARG A 86 -10.742 -15.847 -3.310 1.00 13.43 H new ATOM 0 HH22 ARG A 86 -10.945 -17.601 -3.367 1.00 13.43 H new ATOM 1356 N PRO A 87 -3.583 -11.387 -0.318 1.00 31.41 N ATOM 1357 CA PRO A 87 -3.970 -10.771 -1.590 1.00 41.42 C ATOM 1358 C PRO A 87 -3.140 -11.287 -2.761 1.00 10.13 C ATOM 1359 O PRO A 87 -2.042 -11.813 -2.572 1.00 75.44 O ATOM 1360 CB PRO A 87 -3.700 -9.282 -1.359 1.00 53.31 C ATOM 1361 CG PRO A 87 -2.650 -9.246 -0.303 1.00 63.44 C ATOM 1362 CD PRO A 87 -2.911 -10.434 0.581 1.00 14.11 C ATOM 0 HA PRO A 87 -5.003 -10.996 -1.854 1.00 41.42 H new ATOM 0 HB2 PRO A 87 -3.359 -8.795 -2.273 1.00 53.31 H new ATOM 0 HB3 PRO A 87 -4.602 -8.761 -1.038 1.00 53.31 H new ATOM 0 HG2 PRO A 87 -1.653 -9.297 -0.742 1.00 63.44 H new ATOM 0 HG3 PRO A 87 -2.700 -8.318 0.266 1.00 63.44 H new ATOM 0 HD2 PRO A 87 -1.986 -10.846 0.984 1.00 14.11 H new ATOM 0 HD3 PRO A 87 -3.540 -10.172 1.431 1.00 14.11 H new ATOM 1370 N LEU A 88 -3.670 -11.133 -3.969 1.00 0.30 N ATOM 1371 CA LEU A 88 -2.977 -11.583 -5.171 1.00 74.03 C ATOM 1372 C LEU A 88 -2.108 -10.470 -5.748 1.00 72.22 C ATOM 1373 O LEU A 88 -2.618 -9.472 -6.256 1.00 74.23 O ATOM 1374 CB LEU A 88 -3.987 -12.052 -6.220 1.00 33.41 C ATOM 1375 CG LEU A 88 -4.269 -13.555 -6.255 1.00 14.22 C ATOM 1376 CD1 LEU A 88 -5.706 -13.838 -5.845 1.00 13.21 C ATOM 1377 CD2 LEU A 88 -3.987 -14.118 -7.640 1.00 32.41 C ATOM 0 H LEU A 88 -4.577 -10.700 -4.142 1.00 0.30 H new ATOM 0 HA LEU A 88 -2.332 -12.418 -4.897 1.00 74.03 H new ATOM 0 HB2 LEU A 88 -4.928 -11.530 -6.048 1.00 33.41 H new ATOM 0 HB3 LEU A 88 -3.628 -11.747 -7.203 1.00 33.41 H new ATOM 0 HG LEU A 88 -3.606 -14.047 -5.543 1.00 14.22 H new ATOM 0 HD11 LEU A 88 -5.888 -14.912 -5.876 1.00 13.21 H new ATOM 0 HD12 LEU A 88 -5.875 -13.470 -4.833 1.00 13.21 H new ATOM 0 HD13 LEU A 88 -6.386 -13.335 -6.532 1.00 13.21 H new ATOM 0 HD21 LEU A 88 -4.193 -15.188 -7.647 1.00 32.41 H new ATOM 0 HD22 LEU A 88 -4.625 -13.621 -8.371 1.00 32.41 H new ATOM 0 HD23 LEU A 88 -2.941 -13.948 -7.896 1.00 32.41 H new ATOM 1389 N GLN A 89 -0.794 -10.651 -5.667 1.00 41.34 N ATOM 1390 CA GLN A 89 0.146 -9.662 -6.183 1.00 74.12 C ATOM 1391 C GLN A 89 1.586 -10.121 -5.979 1.00 74.21 C ATOM 1392 O GLN A 89 1.833 -11.228 -5.500 1.00 3.33 O ATOM 1393 CB GLN A 89 -0.074 -8.313 -5.497 1.00 40.54 C ATOM 1394 CG GLN A 89 -0.169 -8.408 -3.983 1.00 53.23 C ATOM 1395 CD GLN A 89 -0.182 -7.048 -3.313 1.00 32.34 C ATOM 1396 OE1 GLN A 89 -1.186 -6.642 -2.726 1.00 41.03 O ATOM 1397 NE2 GLN A 89 0.936 -6.336 -3.395 1.00 73.53 N ATOM 0 H GLN A 89 -0.356 -11.472 -5.250 1.00 41.34 H new ATOM 0 HA GLN A 89 -0.032 -9.551 -7.253 1.00 74.12 H new ATOM 0 HB2 GLN A 89 0.745 -7.643 -5.760 1.00 40.54 H new ATOM 0 HB3 GLN A 89 -0.989 -7.864 -5.883 1.00 40.54 H new ATOM 0 HG2 GLN A 89 -1.075 -8.951 -3.713 1.00 53.23 H new ATOM 0 HG3 GLN A 89 0.674 -8.987 -3.605 1.00 53.23 H new ATOM 0 HE21 GLN A 89 1.744 -6.711 -3.891 1.00 73.53 H new ATOM 0 HE22 GLN A 89 0.986 -5.414 -2.962 1.00 73.53 H new ATOM 1406 N VAL A 90 2.533 -9.264 -6.347 1.00 14.24 N ATOM 1407 CA VAL A 90 3.948 -9.581 -6.203 1.00 45.01 C ATOM 1408 C VAL A 90 4.693 -8.459 -5.489 1.00 45.44 C ATOM 1409 O VAL A 90 4.260 -7.306 -5.500 1.00 32.32 O ATOM 1410 CB VAL A 90 4.609 -9.832 -7.572 1.00 0.52 C ATOM 1411 CG1 VAL A 90 5.985 -10.456 -7.395 1.00 13.04 C ATOM 1412 CG2 VAL A 90 3.722 -10.713 -8.438 1.00 32.13 C ATOM 0 H VAL A 90 2.345 -8.345 -6.747 1.00 14.24 H new ATOM 0 HA VAL A 90 4.009 -10.491 -5.606 1.00 45.01 H new ATOM 0 HB VAL A 90 4.734 -8.874 -8.077 1.00 0.52 H new ATOM 0 HG11 VAL A 90 6.436 -10.626 -8.373 1.00 13.04 H new ATOM 0 HG12 VAL A 90 6.618 -9.784 -6.815 1.00 13.04 H new ATOM 0 HG13 VAL A 90 5.889 -11.406 -6.870 1.00 13.04 H new ATOM 0 HG21 VAL A 90 4.204 -10.880 -9.401 1.00 32.13 H new ATOM 0 HG22 VAL A 90 3.563 -11.670 -7.941 1.00 32.13 H new ATOM 0 HG23 VAL A 90 2.762 -10.221 -8.594 1.00 32.13 H new ATOM 1422 N PHE A 91 5.818 -8.802 -4.870 1.00 72.50 N ATOM 1423 CA PHE A 91 6.624 -7.824 -4.150 1.00 42.30 C ATOM 1424 C PHE A 91 7.989 -7.653 -4.810 1.00 42.41 C ATOM 1425 O PHE A 91 8.708 -8.626 -5.036 1.00 65.24 O ATOM 1426 CB PHE A 91 6.800 -8.251 -2.691 1.00 43.43 C ATOM 1427 CG PHE A 91 5.511 -8.305 -1.923 1.00 0.03 C ATOM 1428 CD1 PHE A 91 4.600 -7.264 -1.999 1.00 34.14 C ATOM 1429 CD2 PHE A 91 5.210 -9.397 -1.125 1.00 22.10 C ATOM 1430 CE1 PHE A 91 3.413 -7.311 -1.292 1.00 31.43 C ATOM 1431 CE2 PHE A 91 4.025 -9.450 -0.416 1.00 72.21 C ATOM 1432 CZ PHE A 91 3.125 -8.406 -0.501 1.00 34.35 C ATOM 0 H PHE A 91 6.192 -9.751 -4.853 1.00 72.50 H new ATOM 0 HA PHE A 91 6.103 -6.867 -4.181 1.00 42.30 H new ATOM 0 HB2 PHE A 91 7.272 -9.233 -2.663 1.00 43.43 H new ATOM 0 HB3 PHE A 91 7.479 -7.556 -2.197 1.00 43.43 H new ATOM 0 HD1 PHE A 91 4.820 -6.406 -2.617 1.00 34.14 H new ATOM 0 HD2 PHE A 91 5.910 -10.217 -1.056 1.00 22.10 H new ATOM 0 HE1 PHE A 91 2.712 -6.492 -1.358 1.00 31.43 H new ATOM 0 HE2 PHE A 91 3.803 -10.306 0.203 1.00 72.21 H new ATOM 0 HZ PHE A 91 2.197 -8.446 0.050 1.00 34.35 H new ATOM 1442 N HIS A 92 8.339 -6.408 -5.117 1.00 45.42 N ATOM 1443 CA HIS A 92 9.618 -6.108 -5.752 1.00 2.45 C ATOM 1444 C HIS A 92 10.769 -6.288 -4.766 1.00 40.12 C ATOM 1445 O HIS A 92 10.857 -5.580 -3.763 1.00 23.44 O ATOM 1446 CB HIS A 92 9.618 -4.679 -6.298 1.00 30.45 C ATOM 1447 CG HIS A 92 10.087 -4.581 -7.717 1.00 14.44 C ATOM 1448 ND1 HIS A 92 11.178 -3.829 -8.098 1.00 52.22 N ATOM 1449 CD2 HIS A 92 9.606 -5.146 -8.849 1.00 5.21 C ATOM 1450 CE1 HIS A 92 11.347 -3.934 -9.404 1.00 65.51 C ATOM 1451 NE2 HIS A 92 10.407 -4.729 -9.884 1.00 2.55 N ATOM 0 H HIS A 92 7.756 -5.591 -4.937 1.00 45.42 H new ATOM 0 HA HIS A 92 9.758 -6.805 -6.579 1.00 2.45 H new ATOM 0 HB2 HIS A 92 8.609 -4.272 -6.228 1.00 30.45 H new ATOM 0 HB3 HIS A 92 10.256 -4.058 -5.669 1.00 30.45 H new ATOM 0 HD2 HIS A 92 8.752 -5.802 -8.924 1.00 5.21 H new ATOM 0 HE1 HIS A 92 12.122 -3.452 -9.981 1.00 65.51 H new ATOM 0 HE2 HIS A 92 10.295 -4.990 -10.863 1.00 2.55 H new ATOM 1459 N VAL A 93 11.649 -7.240 -5.059 1.00 71.32 N ATOM 1460 CA VAL A 93 12.794 -7.514 -4.200 1.00 4.54 C ATOM 1461 C VAL A 93 14.102 -7.403 -4.975 1.00 62.22 C ATOM 1462 O VAL A 93 14.262 -8.015 -6.031 1.00 2.12 O ATOM 1463 CB VAL A 93 12.701 -8.916 -3.569 1.00 0.41 C ATOM 1464 CG1 VAL A 93 13.955 -9.224 -2.765 1.00 33.13 C ATOM 1465 CG2 VAL A 93 11.459 -9.026 -2.698 1.00 75.12 C ATOM 0 H VAL A 93 11.590 -7.835 -5.886 1.00 71.32 H new ATOM 0 HA VAL A 93 12.780 -6.766 -3.407 1.00 4.54 H new ATOM 0 HB VAL A 93 12.622 -9.652 -4.370 1.00 0.41 H new ATOM 0 HG11 VAL A 93 13.871 -10.218 -2.327 1.00 33.13 H new ATOM 0 HG12 VAL A 93 14.825 -9.188 -3.420 1.00 33.13 H new ATOM 0 HG13 VAL A 93 14.068 -8.486 -1.971 1.00 33.13 H new ATOM 0 HG21 VAL A 93 11.409 -10.023 -2.260 1.00 75.12 H new ATOM 0 HG22 VAL A 93 11.505 -8.282 -1.903 1.00 75.12 H new ATOM 0 HG23 VAL A 93 10.571 -8.852 -3.306 1.00 75.12 H new ATOM 1475 N GLU A 94 15.035 -6.619 -4.443 1.00 71.25 N ATOM 1476 CA GLU A 94 16.330 -6.429 -5.087 1.00 15.20 C ATOM 1477 C GLU A 94 17.463 -6.531 -4.070 1.00 52.11 C ATOM 1478 O GLU A 94 17.606 -5.677 -3.195 1.00 52.32 O ATOM 1479 CB GLU A 94 16.380 -5.070 -5.789 1.00 23.11 C ATOM 1480 CG GLU A 94 16.125 -5.148 -7.285 1.00 10.13 C ATOM 1481 CD GLU A 94 16.625 -3.924 -8.026 1.00 42.53 C ATOM 1482 OE1 GLU A 94 17.765 -3.491 -7.758 1.00 23.04 O ATOM 1483 OE2 GLU A 94 15.876 -3.398 -8.876 1.00 73.11 O ATOM 0 H GLU A 94 14.919 -6.106 -3.569 1.00 71.25 H new ATOM 0 HA GLU A 94 16.459 -7.218 -5.828 1.00 15.20 H new ATOM 0 HB2 GLU A 94 15.640 -4.409 -5.337 1.00 23.11 H new ATOM 0 HB3 GLU A 94 17.357 -4.618 -5.619 1.00 23.11 H new ATOM 0 HG2 GLU A 94 16.613 -6.036 -7.687 1.00 10.13 H new ATOM 0 HG3 GLU A 94 15.056 -5.264 -7.462 1.00 10.13 H new ATOM 1490 N VAL A 95 18.266 -7.583 -4.192 1.00 2.12 N ATOM 1491 CA VAL A 95 19.387 -7.798 -3.285 1.00 3.34 C ATOM 1492 C VAL A 95 20.718 -7.551 -3.987 1.00 54.01 C ATOM 1493 O VAL A 95 20.949 -8.046 -5.089 1.00 64.33 O ATOM 1494 CB VAL A 95 19.379 -9.227 -2.711 1.00 63.22 C ATOM 1495 CG1 VAL A 95 18.162 -9.440 -1.825 1.00 33.41 C ATOM 1496 CG2 VAL A 95 19.417 -10.252 -3.835 1.00 1.20 C ATOM 0 H VAL A 95 18.161 -8.300 -4.910 1.00 2.12 H new ATOM 0 HA VAL A 95 19.273 -7.086 -2.468 1.00 3.34 H new ATOM 0 HB VAL A 95 20.271 -9.359 -2.099 1.00 63.22 H new ATOM 0 HG11 VAL A 95 18.174 -10.455 -1.429 1.00 33.41 H new ATOM 0 HG12 VAL A 95 18.184 -8.728 -1.000 1.00 33.41 H new ATOM 0 HG13 VAL A 95 17.255 -9.290 -2.410 1.00 33.41 H new ATOM 0 HG21 VAL A 95 19.411 -11.256 -3.412 1.00 1.20 H new ATOM 0 HG22 VAL A 95 18.544 -10.123 -4.475 1.00 1.20 H new ATOM 0 HG23 VAL A 95 20.323 -10.112 -4.424 1.00 1.20 H new ATOM 1506 N GLU A 96 21.588 -6.782 -3.340 1.00 65.35 N ATOM 1507 CA GLU A 96 22.896 -6.470 -3.904 1.00 44.34 C ATOM 1508 C GLU A 96 24.011 -7.110 -3.081 1.00 53.43 C ATOM 1509 O GLU A 96 23.841 -7.385 -1.893 1.00 51.34 O ATOM 1510 CB GLU A 96 23.100 -4.955 -3.968 1.00 41.41 C ATOM 1511 CG GLU A 96 22.904 -4.372 -5.358 1.00 25.12 C ATOM 1512 CD GLU A 96 23.052 -2.863 -5.384 1.00 22.11 C ATOM 1513 OE1 GLU A 96 23.489 -2.291 -4.363 1.00 74.43 O ATOM 1514 OE2 GLU A 96 22.731 -2.254 -6.426 1.00 64.32 O ATOM 0 H GLU A 96 21.411 -6.364 -2.426 1.00 65.35 H new ATOM 0 HA GLU A 96 22.934 -6.878 -4.914 1.00 44.34 H new ATOM 0 HB2 GLU A 96 22.405 -4.474 -3.280 1.00 41.41 H new ATOM 0 HB3 GLU A 96 24.106 -4.717 -3.622 1.00 41.41 H new ATOM 0 HG2 GLU A 96 23.629 -4.816 -6.040 1.00 25.12 H new ATOM 0 HG3 GLU A 96 21.914 -4.643 -5.725 1.00 25.12 H new ATOM 1521 N VAL A 97 25.151 -7.344 -3.722 1.00 25.50 N ATOM 1522 CA VAL A 97 26.295 -7.951 -3.050 1.00 74.24 C ATOM 1523 C VAL A 97 27.046 -6.925 -2.209 1.00 71.43 C ATOM 1524 O VAL A 97 27.030 -5.731 -2.508 1.00 60.21 O ATOM 1525 CB VAL A 97 27.270 -8.583 -4.062 1.00 14.41 C ATOM 1526 CG1 VAL A 97 26.658 -9.826 -4.689 1.00 32.34 C ATOM 1527 CG2 VAL A 97 27.656 -7.572 -5.131 1.00 51.21 C ATOM 0 H VAL A 97 25.308 -7.123 -4.705 1.00 25.50 H new ATOM 0 HA VAL A 97 25.902 -8.732 -2.399 1.00 74.24 H new ATOM 0 HB VAL A 97 28.174 -8.881 -3.532 1.00 14.41 H new ATOM 0 HG11 VAL A 97 27.361 -10.258 -5.401 1.00 32.34 H new ATOM 0 HG12 VAL A 97 26.436 -10.555 -3.910 1.00 32.34 H new ATOM 0 HG13 VAL A 97 25.737 -9.557 -5.207 1.00 32.34 H new ATOM 0 HG21 VAL A 97 28.345 -8.035 -5.838 1.00 51.21 H new ATOM 0 HG22 VAL A 97 26.762 -7.242 -5.659 1.00 51.21 H new ATOM 0 HG23 VAL A 97 28.138 -6.714 -4.663 1.00 51.21 H new ATOM 1537 N ARG A 98 27.704 -7.399 -1.156 1.00 72.44 N ATOM 1538 CA ARG A 98 28.461 -6.523 -0.271 1.00 22.11 C ATOM 1539 C ARG A 98 29.884 -7.040 -0.081 1.00 62.22 C ATOM 1540 O ARG A 98 30.128 -7.934 0.730 1.00 74.13 O ATOM 1541 CB ARG A 98 27.764 -6.408 1.086 1.00 51.21 C ATOM 1542 CG ARG A 98 27.167 -5.035 1.349 1.00 74.10 C ATOM 1543 CD ARG A 98 26.684 -4.903 2.785 1.00 21.51 C ATOM 1544 NE ARG A 98 27.487 -3.951 3.547 1.00 25.33 N ATOM 1545 CZ ARG A 98 27.467 -3.868 4.873 1.00 62.21 C ATOM 1546 NH1 ARG A 98 26.689 -4.676 5.579 1.00 32.33 N ATOM 1547 NH2 ARG A 98 28.227 -2.976 5.495 1.00 41.55 N ATOM 0 H ARG A 98 27.728 -8.385 -0.895 1.00 72.44 H new ATOM 0 HA ARG A 98 28.509 -5.537 -0.732 1.00 22.11 H new ATOM 0 HB2 ARG A 98 26.973 -7.156 1.143 1.00 51.21 H new ATOM 0 HB3 ARG A 98 28.480 -6.640 1.874 1.00 51.21 H new ATOM 0 HG2 ARG A 98 27.913 -4.267 1.143 1.00 74.10 H new ATOM 0 HG3 ARG A 98 26.335 -4.862 0.667 1.00 74.10 H new ATOM 0 HD2 ARG A 98 25.642 -4.583 2.789 1.00 21.51 H new ATOM 0 HD3 ARG A 98 26.720 -5.878 3.271 1.00 21.51 H new ATOM 0 HE ARG A 98 28.097 -3.315 3.033 1.00 25.33 H new ATOM 0 HH11 ARG A 98 26.104 -5.364 5.105 1.00 32.33 H new ATOM 0 HH12 ARG A 98 26.676 -4.610 6.597 1.00 32.33 H new ATOM 0 HH21 ARG A 98 28.828 -2.353 4.955 1.00 41.55 H new ATOM 0 HH22 ARG A 98 28.211 -2.913 6.513 1.00 41.55 H new ATOM 1561 N ASP A 99 30.820 -6.472 -0.834 1.00 74.54 N ATOM 1562 CA ASP A 99 32.219 -6.875 -0.749 1.00 74.32 C ATOM 1563 C ASP A 99 33.055 -6.161 -1.806 1.00 1.20 C ATOM 1564 O ASP A 99 32.557 -5.292 -2.522 1.00 42.14 O ATOM 1565 CB ASP A 99 32.346 -8.390 -0.918 1.00 25.01 C ATOM 1566 CG ASP A 99 32.757 -9.083 0.367 1.00 75.14 C ATOM 1567 OD1 ASP A 99 33.917 -8.905 0.792 1.00 13.32 O ATOM 1568 OD2 ASP A 99 31.918 -9.805 0.946 1.00 55.32 O ATOM 0 H ASP A 99 30.635 -5.731 -1.510 1.00 74.54 H new ATOM 0 HA ASP A 99 32.594 -6.594 0.235 1.00 74.32 H new ATOM 0 HB2 ASP A 99 31.393 -8.796 -1.258 1.00 25.01 H new ATOM 0 HB3 ASP A 99 33.080 -8.606 -1.695 1.00 25.01 H new ATOM 1573 N ILE A 100 34.328 -6.532 -1.896 1.00 73.01 N ATOM 1574 CA ILE A 100 35.233 -5.927 -2.865 1.00 53.51 C ATOM 1575 C ILE A 100 35.449 -6.844 -4.064 1.00 32.23 C ATOM 1576 O ILE A 100 35.282 -8.059 -3.966 1.00 20.11 O ATOM 1577 CB ILE A 100 36.598 -5.598 -2.232 1.00 14.21 C ATOM 1578 CG1 ILE A 100 37.406 -4.684 -3.155 1.00 52.31 C ATOM 1579 CG2 ILE A 100 37.367 -6.877 -1.938 1.00 40.01 C ATOM 1580 CD1 ILE A 100 38.287 -3.703 -2.414 1.00 24.22 C ATOM 0 H ILE A 100 34.756 -7.249 -1.310 1.00 73.01 H new ATOM 0 HA ILE A 100 34.764 -5.001 -3.199 1.00 53.51 H new ATOM 0 HB ILE A 100 36.429 -5.074 -1.291 1.00 14.21 H new ATOM 0 HG12 ILE A 100 38.028 -5.298 -3.807 1.00 52.31 H new ATOM 0 HG13 ILE A 100 36.720 -4.131 -3.797 1.00 52.31 H new ATOM 0 HG21 ILE A 100 38.329 -6.628 -1.491 1.00 40.01 H new ATOM 0 HG22 ILE A 100 36.794 -7.495 -1.246 1.00 40.01 H new ATOM 0 HG23 ILE A 100 37.529 -7.426 -2.866 1.00 40.01 H new ATOM 0 HD11 ILE A 100 38.830 -3.088 -3.131 1.00 24.22 H new ATOM 0 HD12 ILE A 100 37.669 -3.064 -1.783 1.00 24.22 H new ATOM 0 HD13 ILE A 100 38.997 -4.249 -1.793 1.00 24.22 H new ATOM 1592 N ASN A 101 35.823 -6.254 -5.194 1.00 52.22 N ATOM 1593 CA ASN A 101 36.063 -7.019 -6.412 1.00 45.45 C ATOM 1594 C ASN A 101 37.311 -7.886 -6.273 1.00 32.02 C ATOM 1595 O ASN A 101 37.318 -9.050 -6.673 1.00 34.43 O ATOM 1596 CB ASN A 101 36.215 -6.077 -7.609 1.00 32.10 C ATOM 1597 CG ASN A 101 35.817 -6.735 -8.916 1.00 54.42 C ATOM 1598 OD1 ASN A 101 35.713 -7.958 -9.002 1.00 65.41 O ATOM 1599 ND2 ASN A 101 35.591 -5.922 -9.942 1.00 72.42 N ATOM 0 H ASN A 101 35.966 -5.249 -5.292 1.00 52.22 H new ATOM 0 HA ASN A 101 35.205 -7.671 -6.577 1.00 45.45 H new ATOM 0 HB2 ASN A 101 35.602 -5.190 -7.450 1.00 32.10 H new ATOM 0 HB3 ASN A 101 37.250 -5.741 -7.675 1.00 32.10 H new ATOM 0 HD21 ASN A 101 35.319 -6.306 -10.847 1.00 72.42 H new ATOM 0 HD22 ASN A 101 35.689 -4.914 -9.825 1.00 72.42 H new ATOM 1606 N ASP A 102 38.364 -7.311 -5.702 1.00 54.14 N ATOM 1607 CA ASP A 102 39.617 -8.031 -5.508 1.00 35.42 C ATOM 1608 C ASP A 102 39.384 -9.328 -4.738 1.00 51.12 C ATOM 1609 O ASP A 102 40.136 -10.290 -4.883 1.00 24.32 O ATOM 1610 CB ASP A 102 40.623 -7.154 -4.762 1.00 23.52 C ATOM 1611 CG ASP A 102 42.026 -7.276 -5.325 1.00 54.50 C ATOM 1612 OD1 ASP A 102 42.279 -6.715 -6.412 1.00 3.10 O ATOM 1613 OD2 ASP A 102 42.870 -7.930 -4.679 1.00 33.25 O ATOM 0 H ASP A 102 38.375 -6.348 -5.365 1.00 54.14 H new ATOM 0 HA ASP A 102 40.021 -8.279 -6.489 1.00 35.42 H new ATOM 0 HB2 ASP A 102 40.303 -6.113 -4.814 1.00 23.52 H new ATOM 0 HB3 ASP A 102 40.632 -7.432 -3.708 1.00 23.52 H new ATOM 1618 N ASN A 103 38.337 -9.344 -3.919 1.00 62.33 N ATOM 1619 CA ASN A 103 38.007 -10.522 -3.125 1.00 75.02 C ATOM 1620 C ASN A 103 36.745 -10.285 -2.301 1.00 31.43 C ATOM 1621 O ASN A 103 36.276 -11.179 -1.596 1.00 54.13 O ATOM 1622 CB ASN A 103 39.172 -10.884 -2.202 1.00 71.24 C ATOM 1623 CG ASN A 103 39.397 -12.381 -2.115 1.00 72.55 C ATOM 1624 OD1 ASN A 103 38.657 -13.093 -1.436 1.00 20.12 O ATOM 1625 ND2 ASN A 103 40.423 -12.867 -2.805 1.00 54.54 N ATOM 0 H ASN A 103 37.703 -8.555 -3.788 1.00 62.33 H new ATOM 0 HA ASN A 103 37.824 -11.351 -3.809 1.00 75.02 H new ATOM 0 HB2 ASN A 103 40.081 -10.403 -2.563 1.00 71.24 H new ATOM 0 HB3 ASN A 103 38.978 -10.490 -1.204 1.00 71.24 H new ATOM 0 HD21 ASN A 103 40.623 -13.867 -2.785 1.00 54.54 H new ATOM 0 HD22 ASN A 103 41.011 -12.240 -3.355 1.00 54.54 H new TER 1632 ASN A 103