USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot -69:sc= 0.628 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.193 USER MOD Set 2.1: A 17 TYR OH : rot 5:sc= 0.294 USER MOD Set 2.2: A 75 HIS : no HE2:sc= -2.42! C(o=-2.1!,f=-6.7!) USER MOD Set 3.1: A 40 GLN : amide:sc=-0.000751 X(o=-0.74,f=-0.75) USER MOD Set 3.2: A 41 ASN : amide:sc= -0.744 K(o=-0.74,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -168:sc= 0 (180deg=-0.141) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0046) USER MOD Single : A 18 THR OG1 : rot 5:sc= 0.871 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.295 K(o=-0.29,f=0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.22! K(o=-4.2!,f=-1.7) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -40:sc= -1.15! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -160:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 149:sc=-0.00128 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -35:sc= 0.725 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0937 X(o=0.094,f=0) USER MOD Single : A 76 CYS SG : rot -9:sc= -3.21! USER MOD Single : A 84 MET CE :methyl -151:sc= -3.05! (180deg=-4.64!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.4) USER MOD Single : A 92 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.7) USER MOD Single : A 95 SER OG : rot 80:sc= -0.0123 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=-0.085) USER MOD Single : A 98 ASN : amide:sc= -8.34! C(o=-8.3!,f=-9.8!) USER MOD Single : A 104 THR OG1 : rot -38:sc= 0.292 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.13) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.132 11.396 4.822 1.00 0.00 N ATOM 2 CA GLY A 1 -20.227 11.977 6.148 1.00 0.00 C ATOM 3 C GLY A 1 -18.914 12.574 6.615 1.00 0.00 C ATOM 4 O GLY A 1 -17.878 11.909 6.588 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.055 11.002 4.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.854 12.130 4.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.419 10.639 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.995 12.751 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.546 11.211 6.855 1.00 0.00 H new ATOM 8 N SER A 2 -18.956 13.831 7.042 1.00 0.00 N ATOM 9 CA SER A 2 -17.759 14.519 7.512 1.00 0.00 C ATOM 10 C SER A 2 -17.137 13.783 8.694 1.00 0.00 C ATOM 11 O SER A 2 -17.496 14.023 9.847 1.00 0.00 O ATOM 12 CB SER A 2 -18.095 15.957 7.912 1.00 0.00 C ATOM 13 OG SER A 2 -18.702 16.657 6.839 1.00 0.00 O ATOM 0 H SER A 2 -19.806 14.394 7.072 1.00 0.00 H new ATOM 0 HA SER A 2 -17.036 14.536 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.765 15.951 8.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.186 16.474 8.220 1.00 0.00 H new ATOM 0 HG SER A 2 -18.908 17.573 7.121 1.00 0.00 H new ATOM 19 N SER A 3 -16.204 12.884 8.399 1.00 0.00 N ATOM 20 CA SER A 3 -15.534 12.108 9.436 1.00 0.00 C ATOM 21 C SER A 3 -14.093 11.801 9.040 1.00 0.00 C ATOM 22 O SER A 3 -13.693 12.014 7.896 1.00 0.00 O ATOM 23 CB SER A 3 -16.292 10.805 9.698 1.00 0.00 C ATOM 24 OG SER A 3 -16.114 10.372 11.035 1.00 0.00 O ATOM 0 H SER A 3 -15.895 12.675 7.450 1.00 0.00 H new ATOM 0 HA SER A 3 -15.522 12.703 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.353 10.952 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.942 10.033 9.013 1.00 0.00 H new ATOM 0 HG SER A 3 -16.610 9.539 11.178 1.00 0.00 H new ATOM 30 N GLY A 4 -13.317 11.299 9.996 1.00 0.00 N ATOM 31 CA GLY A 4 -11.929 10.970 9.728 1.00 0.00 C ATOM 32 C GLY A 4 -11.008 11.380 10.860 1.00 0.00 C ATOM 33 O GLY A 4 -11.050 12.520 11.322 1.00 0.00 O ATOM 0 H GLY A 4 -13.625 11.114 10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.839 9.897 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.613 11.464 8.809 1.00 0.00 H new ATOM 37 N SER A 5 -10.174 10.447 11.309 1.00 0.00 N ATOM 38 CA SER A 5 -9.242 10.715 12.398 1.00 0.00 C ATOM 39 C SER A 5 -7.839 10.977 11.860 1.00 0.00 C ATOM 40 O SER A 5 -7.356 10.264 10.981 1.00 0.00 O ATOM 41 CB SER A 5 -9.214 9.539 13.376 1.00 0.00 C ATOM 42 OG SER A 5 -8.245 9.741 14.390 1.00 0.00 O ATOM 0 H SER A 5 -10.125 9.499 10.935 1.00 0.00 H new ATOM 0 HA SER A 5 -9.583 11.607 12.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.198 9.415 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.993 8.618 12.836 1.00 0.00 H new ATOM 0 HG SER A 5 -8.248 8.976 15.003 1.00 0.00 H new ATOM 48 N SER A 6 -7.189 12.007 12.395 1.00 0.00 N ATOM 49 CA SER A 6 -5.843 12.367 11.966 1.00 0.00 C ATOM 50 C SER A 6 -4.799 11.518 12.685 1.00 0.00 C ATOM 51 O SER A 6 -4.418 11.810 13.819 1.00 0.00 O ATOM 52 CB SER A 6 -5.580 13.851 12.231 1.00 0.00 C ATOM 53 OG SER A 6 -6.165 14.659 11.224 1.00 0.00 O ATOM 0 H SER A 6 -7.573 12.606 13.126 1.00 0.00 H new ATOM 0 HA SER A 6 -5.766 12.177 10.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.985 14.127 13.205 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.506 14.032 12.269 1.00 0.00 H new ATOM 0 HG SER A 6 -5.985 15.603 11.416 1.00 0.00 H new ATOM 59 N GLY A 7 -4.339 10.464 12.017 1.00 0.00 N ATOM 60 CA GLY A 7 -3.343 9.589 12.607 1.00 0.00 C ATOM 61 C GLY A 7 -3.013 8.406 11.718 1.00 0.00 C ATOM 62 O GLY A 7 -2.647 8.577 10.556 1.00 0.00 O ATOM 0 H GLY A 7 -4.638 10.201 11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.434 10.158 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.706 9.227 13.569 1.00 0.00 H new ATOM 66 N MET A 8 -3.140 7.202 12.267 1.00 0.00 N ATOM 67 CA MET A 8 -2.851 5.986 11.516 1.00 0.00 C ATOM 68 C MET A 8 -4.014 5.626 10.596 1.00 0.00 C ATOM 69 O MET A 8 -5.179 5.757 10.971 1.00 0.00 O ATOM 70 CB MET A 8 -2.564 4.826 12.471 1.00 0.00 C ATOM 71 CG MET A 8 -3.724 4.502 13.399 1.00 0.00 C ATOM 72 SD MET A 8 -3.184 3.778 14.959 1.00 0.00 S ATOM 73 CE MET A 8 -2.252 2.366 14.373 1.00 0.00 C ATOM 0 H MET A 8 -3.441 7.043 13.229 1.00 0.00 H new ATOM 0 HA MET A 8 -1.968 6.169 10.903 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.317 3.939 11.888 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.686 5.068 13.070 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.288 5.413 13.601 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.403 3.812 12.898 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.034 1.701 15.209 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.836 1.829 13.626 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.317 2.707 13.927 1.00 0.00 H new ATOM 83 N VAL A 9 -3.690 5.172 9.389 1.00 0.00 N ATOM 84 CA VAL A 9 -4.707 4.793 8.416 1.00 0.00 C ATOM 85 C VAL A 9 -4.777 3.278 8.256 1.00 0.00 C ATOM 86 O VAL A 9 -5.766 2.648 8.633 1.00 0.00 O ATOM 87 CB VAL A 9 -4.434 5.431 7.041 1.00 0.00 C ATOM 88 CG1 VAL A 9 -5.477 4.983 6.028 1.00 0.00 C ATOM 89 CG2 VAL A 9 -4.405 6.948 7.154 1.00 0.00 C ATOM 0 H VAL A 9 -2.731 5.058 9.062 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.661 5.160 8.796 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.457 5.097 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.268 5.444 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.444 3.898 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.468 5.286 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.211 7.382 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.366 7.304 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.617 7.246 7.845 1.00 0.00 H new ATOM 99 N LYS A 10 -3.721 2.698 7.696 1.00 0.00 N ATOM 100 CA LYS A 10 -3.660 1.257 7.488 1.00 0.00 C ATOM 101 C LYS A 10 -2.220 0.759 7.545 1.00 0.00 C ATOM 102 O LYS A 10 -1.282 1.516 7.298 1.00 0.00 O ATOM 103 CB LYS A 10 -4.285 0.889 6.140 1.00 0.00 C ATOM 104 CG LYS A 10 -4.903 -0.498 6.114 1.00 0.00 C ATOM 105 CD LYS A 10 -6.048 -0.580 5.118 1.00 0.00 C ATOM 106 CE LYS A 10 -6.418 -2.023 4.812 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.182 -2.648 5.928 1.00 0.00 N ATOM 0 H LYS A 10 -2.895 3.205 7.378 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.224 0.776 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.051 1.624 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.521 0.951 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.140 -1.232 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.266 -0.754 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.917 -0.057 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.766 -0.072 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.013 -2.060 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.511 -2.599 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.415 -3.631 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.605 -2.636 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.060 -2.114 6.090 1.00 0.00 H new ATOM 121 N GLU A 11 -2.052 -0.519 7.872 1.00 0.00 N ATOM 122 CA GLU A 11 -0.725 -1.116 7.960 1.00 0.00 C ATOM 123 C GLU A 11 -0.808 -2.639 7.898 1.00 0.00 C ATOM 124 O GLU A 11 -1.871 -3.222 8.107 1.00 0.00 O ATOM 125 CB GLU A 11 -0.033 -0.685 9.255 1.00 0.00 C ATOM 126 CG GLU A 11 -0.803 -1.057 10.510 1.00 0.00 C ATOM 127 CD GLU A 11 -2.128 -0.327 10.619 1.00 0.00 C ATOM 128 OE1 GLU A 11 -2.160 0.890 10.344 1.00 0.00 O ATOM 129 OE2 GLU A 11 -3.134 -0.975 10.979 1.00 0.00 O ATOM 0 H GLU A 11 -2.818 -1.160 8.080 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.140 -0.766 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.956 -1.141 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.114 0.395 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.983 -2.132 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.195 -0.831 11.386 1.00 0.00 H new ATOM 136 N GLY A 12 0.322 -3.277 7.608 1.00 0.00 N ATOM 137 CA GLY A 12 0.356 -4.725 7.522 1.00 0.00 C ATOM 138 C GLY A 12 1.347 -5.221 6.488 1.00 0.00 C ATOM 139 O GLY A 12 1.770 -4.467 5.612 1.00 0.00 O ATOM 0 H GLY A 12 1.215 -2.816 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.616 -5.138 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.639 -5.095 7.274 1.00 0.00 H new ATOM 143 N TRP A 13 1.719 -6.492 6.591 1.00 0.00 N ATOM 144 CA TRP A 13 2.669 -7.088 5.658 1.00 0.00 C ATOM 145 C TRP A 13 1.973 -7.514 4.370 1.00 0.00 C ATOM 146 O TRP A 13 0.997 -8.264 4.400 1.00 0.00 O ATOM 147 CB TRP A 13 3.360 -8.292 6.301 1.00 0.00 C ATOM 148 CG TRP A 13 4.365 -7.911 7.346 1.00 0.00 C ATOM 149 CD1 TRP A 13 4.105 -7.417 8.592 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.790 -7.994 7.234 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.283 -7.186 9.261 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.331 -7.533 8.450 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.662 -8.414 6.225 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.703 -7.480 8.682 1.00 0.00 C ATOM 155 CZ3 TRP A 13 8.023 -8.360 6.457 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.533 -7.897 7.677 1.00 0.00 C ATOM 0 H TRP A 13 1.378 -7.129 7.311 1.00 0.00 H new ATOM 0 HA TRP A 13 3.419 -6.336 5.412 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.606 -8.938 6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.856 -8.874 5.525 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.119 -7.235 8.993 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.364 -6.816 10.208 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.279 -8.774 5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.098 -7.123 9.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.706 -8.680 5.684 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.602 -7.869 7.827 1.00 0.00 H new ATOM 167 N MET A 14 2.480 -7.030 3.241 1.00 0.00 N ATOM 168 CA MET A 14 1.906 -7.363 1.942 1.00 0.00 C ATOM 169 C MET A 14 3.001 -7.698 0.934 1.00 0.00 C ATOM 170 O MET A 14 4.163 -7.337 1.121 1.00 0.00 O ATOM 171 CB MET A 14 1.057 -6.202 1.423 1.00 0.00 C ATOM 172 CG MET A 14 0.122 -6.591 0.289 1.00 0.00 C ATOM 173 SD MET A 14 -1.010 -7.917 0.747 1.00 0.00 S ATOM 174 CE MET A 14 -2.542 -7.007 0.926 1.00 0.00 C ATOM 0 H MET A 14 3.286 -6.407 3.199 1.00 0.00 H new ATOM 0 HA MET A 14 1.271 -8.240 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.468 -5.797 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.717 -5.405 1.081 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.453 -5.718 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.712 -6.904 -0.572 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.341 -7.692 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.426 -6.247 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.793 -6.527 -0.020 1.00 0.00 H new ATOM 184 N VAL A 15 2.622 -8.391 -0.136 1.00 0.00 N ATOM 185 CA VAL A 15 3.572 -8.774 -1.174 1.00 0.00 C ATOM 186 C VAL A 15 3.254 -8.078 -2.493 1.00 0.00 C ATOM 187 O VAL A 15 2.100 -8.026 -2.917 1.00 0.00 O ATOM 188 CB VAL A 15 3.575 -10.297 -1.398 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.977 -11.024 -0.123 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.211 -10.767 -1.880 1.00 0.00 C ATOM 0 H VAL A 15 1.664 -8.698 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 15 4.559 -8.463 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 15 4.309 -10.531 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.973 -12.099 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.977 -10.709 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.269 -10.785 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.231 -11.846 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.456 -10.521 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.967 -10.272 -2.820 1.00 0.00 H new ATOM 200 N HIS A 16 4.287 -7.543 -3.137 1.00 0.00 N ATOM 201 CA HIS A 16 4.119 -6.851 -4.410 1.00 0.00 C ATOM 202 C HIS A 16 5.296 -7.128 -5.339 1.00 0.00 C ATOM 203 O HIS A 16 6.316 -7.677 -4.919 1.00 0.00 O ATOM 204 CB HIS A 16 3.978 -5.346 -4.180 1.00 0.00 C ATOM 205 CG HIS A 16 5.288 -4.619 -4.154 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.242 -4.823 -3.179 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.800 -3.686 -4.990 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.283 -4.046 -3.417 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.041 -3.347 -4.510 1.00 0.00 N ATOM 0 H HIS A 16 5.249 -7.575 -2.798 1.00 0.00 H new ATOM 0 HA HIS A 16 3.211 -7.226 -4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.353 -4.923 -4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.460 -5.178 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.322 -3.283 -5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.180 -3.992 -2.819 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.673 -2.666 -4.930 1.00 0.00 H new ATOM 218 N TYR A 17 5.149 -6.746 -6.603 1.00 0.00 N ATOM 219 CA TYR A 17 6.199 -6.957 -7.592 1.00 0.00 C ATOM 220 C TYR A 17 6.120 -5.911 -8.701 1.00 0.00 C ATOM 221 O TYR A 17 5.069 -5.313 -8.934 1.00 0.00 O ATOM 222 CB TYR A 17 6.091 -8.360 -8.191 1.00 0.00 C ATOM 223 CG TYR A 17 4.788 -8.610 -8.917 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.661 -9.047 -8.232 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.685 -8.410 -10.288 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.469 -9.277 -8.892 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.497 -8.636 -10.956 1.00 0.00 C ATOM 228 CZ TYR A 17 2.392 -9.070 -10.253 1.00 0.00 C ATOM 229 OH TYR A 17 1.207 -9.298 -10.915 1.00 0.00 O ATOM 0 H TYR A 17 4.313 -6.289 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 17 7.161 -6.857 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.918 -8.515 -8.883 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.200 -9.096 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.718 -9.210 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.549 -8.072 -10.841 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.602 -9.617 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.434 -8.474 -12.022 1.00 0.00 H new ATOM 0 HH TYR A 17 0.508 -9.524 -10.266 1.00 0.00 H new ATOM 239 N THR A 18 7.241 -5.696 -9.383 1.00 0.00 N ATOM 240 CA THR A 18 7.301 -4.724 -10.467 1.00 0.00 C ATOM 241 C THR A 18 7.097 -5.395 -11.820 1.00 0.00 C ATOM 242 O THR A 18 7.250 -6.610 -11.950 1.00 0.00 O ATOM 243 CB THR A 18 8.647 -3.975 -10.476 1.00 0.00 C ATOM 244 OG1 THR A 18 9.727 -4.910 -10.582 1.00 0.00 O ATOM 245 CG2 THR A 18 8.812 -3.143 -9.213 1.00 0.00 C ATOM 0 H THR A 18 8.119 -6.182 -9.203 1.00 0.00 H new ATOM 0 HA THR A 18 6.497 -4.009 -10.295 1.00 0.00 H new ATOM 0 HB THR A 18 8.660 -3.306 -11.337 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.367 -5.814 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.770 -2.623 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.005 -2.413 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.780 -3.796 -8.341 1.00 0.00 H new ATOM 253 N SER A 19 6.752 -4.597 -12.825 1.00 0.00 N ATOM 254 CA SER A 19 6.524 -5.115 -14.169 1.00 0.00 C ATOM 255 C SER A 19 7.814 -5.673 -14.762 1.00 0.00 C ATOM 256 O SER A 19 7.850 -6.805 -15.246 1.00 0.00 O ATOM 257 CB SER A 19 5.966 -4.016 -15.075 1.00 0.00 C ATOM 258 OG SER A 19 5.464 -4.557 -16.285 1.00 0.00 O ATOM 0 H SER A 19 6.624 -3.589 -12.734 1.00 0.00 H new ATOM 0 HA SER A 19 5.796 -5.924 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.171 -3.481 -14.555 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.748 -3.290 -15.295 1.00 0.00 H new ATOM 0 HG SER A 19 5.112 -3.834 -16.845 1.00 0.00 H new ATOM 264 N ARG A 20 8.872 -4.870 -14.722 1.00 0.00 N ATOM 265 CA ARG A 20 10.165 -5.282 -15.256 1.00 0.00 C ATOM 266 C ARG A 20 10.666 -6.541 -14.555 1.00 0.00 C ATOM 267 O ARG A 20 10.830 -7.588 -15.182 1.00 0.00 O ATOM 268 CB ARG A 20 11.188 -4.155 -15.098 1.00 0.00 C ATOM 269 CG ARG A 20 10.988 -3.009 -16.076 1.00 0.00 C ATOM 270 CD ARG A 20 11.680 -3.281 -17.402 1.00 0.00 C ATOM 271 NE ARG A 20 11.473 -2.198 -18.360 1.00 0.00 N ATOM 272 CZ ARG A 20 12.208 -2.034 -19.454 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.193 -2.879 -19.728 1.00 0.00 N ATOM 274 NH2 ARG A 20 11.959 -1.024 -20.277 1.00 0.00 N ATOM 0 H ARG A 20 8.860 -3.930 -14.325 1.00 0.00 H new ATOM 0 HA ARG A 20 10.039 -5.503 -16.316 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.134 -3.767 -14.081 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.190 -4.564 -15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.922 -2.856 -16.245 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.378 -2.088 -15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.748 -3.416 -17.232 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.304 -4.214 -17.822 1.00 0.00 H new ATOM 0 HE ARG A 20 10.723 -1.531 -18.179 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.388 -3.657 -19.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.756 -2.751 -20.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.202 -0.372 -20.070 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.524 -0.899 -21.117 1.00 0.00 H new ATOM 288 N ASP A 21 10.909 -6.431 -13.254 1.00 0.00 N ATOM 289 CA ASP A 21 11.391 -7.561 -12.468 1.00 0.00 C ATOM 290 C ASP A 21 10.237 -8.263 -11.761 1.00 0.00 C ATOM 291 O ASP A 21 9.346 -7.616 -11.211 1.00 0.00 O ATOM 292 CB ASP A 21 12.424 -7.092 -11.442 1.00 0.00 C ATOM 293 CG ASP A 21 13.330 -6.005 -11.988 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.954 -6.229 -13.045 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.415 -4.930 -11.357 1.00 0.00 O ATOM 0 H ASP A 21 10.780 -5.571 -12.721 1.00 0.00 H new ATOM 0 HA ASP A 21 11.862 -8.270 -13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.909 -6.721 -10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.030 -7.941 -11.126 1.00 0.00 H new ATOM 300 N ASN A 22 10.259 -9.592 -11.780 1.00 0.00 N ATOM 301 CA ASN A 22 9.212 -10.383 -11.141 1.00 0.00 C ATOM 302 C ASN A 22 9.730 -11.043 -9.867 1.00 0.00 C ATOM 303 O ASN A 22 9.844 -12.267 -9.791 1.00 0.00 O ATOM 304 CB ASN A 22 8.690 -11.450 -12.106 1.00 0.00 C ATOM 305 CG ASN A 22 9.808 -12.144 -12.860 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.519 -12.982 -12.305 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.968 -11.798 -14.132 1.00 0.00 N ATOM 0 H ASN A 22 10.989 -10.144 -12.230 1.00 0.00 H new ATOM 0 HA ASN A 22 8.395 -9.712 -10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.117 -12.191 -11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.007 -10.988 -12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.704 -12.232 -14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.355 -11.099 -14.551 1.00 0.00 H new ATOM 314 N LEU A 23 10.043 -10.225 -8.869 1.00 0.00 N ATOM 315 CA LEU A 23 10.548 -10.729 -7.596 1.00 0.00 C ATOM 316 C LEU A 23 9.630 -10.326 -6.447 1.00 0.00 C ATOM 317 O LEU A 23 9.731 -9.219 -5.917 1.00 0.00 O ATOM 318 CB LEU A 23 11.962 -10.203 -7.342 1.00 0.00 C ATOM 319 CG LEU A 23 12.789 -10.971 -6.311 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.098 -12.373 -6.813 1.00 0.00 C ATOM 321 CD2 LEU A 23 14.075 -10.222 -5.993 1.00 0.00 C ATOM 0 H LEU A 23 9.956 -9.210 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 23 10.575 -11.817 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.504 -10.205 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.889 -9.165 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 23 12.205 -11.055 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.687 -12.905 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.166 -12.910 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.662 -12.310 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.651 -10.784 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.663 -10.107 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.833 -9.238 -5.590 1.00 0.00 H new ATOM 333 N ARG A 24 8.735 -11.232 -6.066 1.00 0.00 N ATOM 334 CA ARG A 24 7.799 -10.971 -4.979 1.00 0.00 C ATOM 335 C ARG A 24 8.536 -10.496 -3.730 1.00 0.00 C ATOM 336 O ARG A 24 9.500 -11.122 -3.289 1.00 0.00 O ATOM 337 CB ARG A 24 6.991 -12.230 -4.660 1.00 0.00 C ATOM 338 CG ARG A 24 5.695 -11.950 -3.917 1.00 0.00 C ATOM 339 CD ARG A 24 4.869 -13.215 -3.742 1.00 0.00 C ATOM 340 NE ARG A 24 4.525 -13.825 -5.023 1.00 0.00 N ATOM 341 CZ ARG A 24 5.323 -14.660 -5.678 1.00 0.00 C ATOM 342 NH1 ARG A 24 6.507 -14.983 -5.175 1.00 0.00 N ATOM 343 NH2 ARG A 24 4.939 -15.175 -6.839 1.00 0.00 N ATOM 0 H ARG A 24 8.638 -12.153 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 24 7.118 -10.183 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.762 -12.750 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.605 -12.903 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.920 -11.523 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.114 -11.207 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.426 -13.931 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.956 -12.979 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 24 3.621 -13.597 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.807 -14.590 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.118 -15.625 -5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.029 -14.930 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.553 -15.816 -7.341 1.00 0.00 H new ATOM 357 N LYS A 25 8.075 -9.386 -3.163 1.00 0.00 N ATOM 358 CA LYS A 25 8.688 -8.827 -1.965 1.00 0.00 C ATOM 359 C LYS A 25 7.638 -8.562 -0.890 1.00 0.00 C ATOM 360 O LYS A 25 6.654 -7.862 -1.129 1.00 0.00 O ATOM 361 CB LYS A 25 9.426 -7.529 -2.302 1.00 0.00 C ATOM 362 CG LYS A 25 10.879 -7.740 -2.691 1.00 0.00 C ATOM 363 CD LYS A 25 11.498 -6.468 -3.246 1.00 0.00 C ATOM 364 CE LYS A 25 12.784 -6.759 -4.003 1.00 0.00 C ATOM 365 NZ LYS A 25 13.571 -5.520 -4.257 1.00 0.00 N ATOM 0 H LYS A 25 7.278 -8.856 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 25 9.403 -9.554 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.908 -7.028 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.382 -6.862 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.445 -8.071 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.946 -8.533 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.787 -5.976 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.704 -5.776 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.390 -7.463 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.546 -7.239 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.440 -5.761 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.003 -4.858 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.820 -5.075 -3.351 1.00 0.00 H new ATOM 379 N ARG A 26 7.856 -9.124 0.295 1.00 0.00 N ATOM 380 CA ARG A 26 6.928 -8.948 1.406 1.00 0.00 C ATOM 381 C ARG A 26 7.510 -8.004 2.454 1.00 0.00 C ATOM 382 O ARG A 26 8.569 -8.268 3.024 1.00 0.00 O ATOM 383 CB ARG A 26 6.603 -10.299 2.045 1.00 0.00 C ATOM 384 CG ARG A 26 5.423 -10.251 3.003 1.00 0.00 C ATOM 385 CD ARG A 26 5.562 -11.285 4.109 1.00 0.00 C ATOM 386 NE ARG A 26 5.642 -12.644 3.581 1.00 0.00 N ATOM 387 CZ ARG A 26 5.317 -13.725 4.282 1.00 0.00 C ATOM 388 NH1 ARG A 26 4.892 -13.605 5.533 1.00 0.00 N ATOM 389 NH2 ARG A 26 5.416 -14.928 3.732 1.00 0.00 N ATOM 0 H ARG A 26 8.667 -9.705 0.510 1.00 0.00 H new ATOM 0 HA ARG A 26 6.010 -8.509 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.392 -11.023 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.481 -10.659 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.349 -9.256 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.499 -10.427 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.456 -11.071 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.711 -11.209 4.786 1.00 0.00 H new ATOM 0 HE ARG A 26 5.965 -12.770 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.814 -12.681 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.643 -14.436 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.742 -15.024 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.166 -15.757 4.271 1.00 0.00 H new ATOM 403 N HIS A 27 6.809 -6.902 2.704 1.00 0.00 N ATOM 404 CA HIS A 27 7.256 -5.918 3.684 1.00 0.00 C ATOM 405 C HIS A 27 6.069 -5.327 4.440 1.00 0.00 C ATOM 406 O HIS A 27 4.928 -5.407 3.984 1.00 0.00 O ATOM 407 CB HIS A 27 8.044 -4.803 2.996 1.00 0.00 C ATOM 408 CG HIS A 27 9.156 -5.304 2.127 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.375 -4.844 0.846 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.116 -6.228 2.363 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.420 -5.466 0.330 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.888 -6.311 1.231 1.00 0.00 N ATOM 0 H HIS A 27 5.930 -6.668 2.242 1.00 0.00 H new ATOM 0 HA HIS A 27 7.905 -6.423 4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.361 -4.207 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.458 -4.140 3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.250 -6.795 3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.823 -5.310 -0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.692 -6.925 1.106 1.00 0.00 H new ATOM 421 N TYR A 28 6.346 -4.736 5.597 1.00 0.00 N ATOM 422 CA TYR A 28 5.301 -4.135 6.417 1.00 0.00 C ATOM 423 C TYR A 28 4.855 -2.797 5.837 1.00 0.00 C ATOM 424 O TYR A 28 5.352 -1.741 6.228 1.00 0.00 O ATOM 425 CB TYR A 28 5.798 -3.942 7.851 1.00 0.00 C ATOM 426 CG TYR A 28 4.762 -3.343 8.775 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.706 -4.108 9.256 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.838 -2.013 9.168 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.757 -3.565 10.100 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.894 -1.462 10.013 1.00 0.00 C ATOM 431 CZ TYR A 28 2.855 -2.242 10.476 1.00 0.00 C ATOM 432 OH TYR A 28 1.912 -1.698 11.317 1.00 0.00 O ATOM 0 H TYR A 28 7.285 -4.660 5.988 1.00 0.00 H new ATOM 0 HA TYR A 28 4.445 -4.810 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.115 -4.906 8.250 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.677 -3.298 7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.626 -5.145 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.649 -1.399 8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.942 -4.174 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.969 -0.426 10.309 1.00 0.00 H new ATOM 0 HH TYR A 28 2.127 -0.757 11.484 1.00 0.00 H new ATOM 442 N TRP A 29 3.914 -2.850 4.901 1.00 0.00 N ATOM 443 CA TRP A 29 3.398 -1.643 4.266 1.00 0.00 C ATOM 444 C TRP A 29 2.658 -0.771 5.274 1.00 0.00 C ATOM 445 O TRP A 29 1.777 -1.247 5.991 1.00 0.00 O ATOM 446 CB TRP A 29 2.468 -2.008 3.108 1.00 0.00 C ATOM 447 CG TRP A 29 3.198 -2.340 1.842 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.307 -3.126 1.717 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.870 -1.893 0.522 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.689 -3.195 0.399 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.823 -2.448 -0.355 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.863 -1.080 -0.006 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.798 -2.214 -1.727 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.839 -0.848 -1.368 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.801 -1.414 -2.216 1.00 0.00 C ATOM 0 H TRP A 29 3.493 -3.716 4.565 1.00 0.00 H new ATOM 0 HA TRP A 29 4.245 -1.077 3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.854 -2.860 3.399 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.789 -1.176 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.810 -3.621 2.534 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.488 -3.718 0.040 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.117 -0.641 0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.539 -2.648 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.066 -0.220 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.755 -1.215 -3.276 1.00 0.00 H new ATOM 466 N ARG A 30 3.020 0.507 5.324 1.00 0.00 N ATOM 467 CA ARG A 30 2.389 1.444 6.245 1.00 0.00 C ATOM 468 C ARG A 30 1.803 2.635 5.493 1.00 0.00 C ATOM 469 O ARG A 30 2.485 3.271 4.687 1.00 0.00 O ATOM 470 CB ARG A 30 3.402 1.931 7.283 1.00 0.00 C ATOM 471 CG ARG A 30 2.852 2.995 8.219 1.00 0.00 C ATOM 472 CD ARG A 30 2.206 2.374 9.448 1.00 0.00 C ATOM 473 NE ARG A 30 2.122 3.320 10.558 1.00 0.00 N ATOM 474 CZ ARG A 30 1.144 4.207 10.695 1.00 0.00 C ATOM 475 NH1 ARG A 30 0.171 4.270 9.797 1.00 0.00 N ATOM 476 NH2 ARG A 30 1.137 5.034 11.733 1.00 0.00 N ATOM 0 H ARG A 30 3.747 0.917 4.737 1.00 0.00 H new ATOM 0 HA ARG A 30 1.578 0.924 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.742 1.080 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.275 2.330 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.657 3.662 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.119 3.604 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.206 2.023 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.781 1.501 9.758 1.00 0.00 H new ATOM 0 HE ARG A 30 2.855 3.298 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.172 3.636 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.579 4.953 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.884 4.988 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.385 5.715 11.837 1.00 0.00 H new ATOM 490 N LEU A 31 0.536 2.932 5.760 1.00 0.00 N ATOM 491 CA LEU A 31 -0.142 4.047 5.108 1.00 0.00 C ATOM 492 C LEU A 31 -0.684 5.032 6.139 1.00 0.00 C ATOM 493 O LEU A 31 -1.289 4.635 7.134 1.00 0.00 O ATOM 494 CB LEU A 31 -1.284 3.531 4.230 1.00 0.00 C ATOM 495 CG LEU A 31 -2.223 4.593 3.657 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.463 5.536 2.737 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.380 3.939 2.917 1.00 0.00 C ATOM 0 H LEU A 31 -0.042 2.416 6.423 1.00 0.00 H new ATOM 0 HA LEU A 31 0.584 4.566 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.853 2.970 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.877 2.828 4.816 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.630 5.175 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.147 6.285 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.670 6.031 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.027 4.969 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.038 4.710 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.992 3.332 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.940 3.306 3.605 1.00 0.00 H new ATOM 509 N ASP A 32 -0.464 6.319 5.891 1.00 0.00 N ATOM 510 CA ASP A 32 -0.932 7.363 6.796 1.00 0.00 C ATOM 511 C ASP A 32 -1.529 8.530 6.016 1.00 0.00 C ATOM 512 O ASP A 32 -1.495 8.550 4.786 1.00 0.00 O ATOM 513 CB ASP A 32 0.216 7.856 7.677 1.00 0.00 C ATOM 514 CG ASP A 32 1.237 6.771 7.960 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.795 6.215 6.992 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.476 6.478 9.151 1.00 0.00 O ATOM 0 H ASP A 32 0.035 6.664 5.071 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.710 6.938 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.709 8.697 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.187 8.226 8.620 1.00 0.00 H new ATOM 521 N SER A 33 -2.078 9.500 6.740 1.00 0.00 N ATOM 522 CA SER A 33 -2.687 10.668 6.116 1.00 0.00 C ATOM 523 C SER A 33 -1.625 11.563 5.485 1.00 0.00 C ATOM 524 O SER A 33 -1.939 12.591 4.885 1.00 0.00 O ATOM 525 CB SER A 33 -3.491 11.462 7.148 1.00 0.00 C ATOM 526 OG SER A 33 -2.694 11.793 8.272 1.00 0.00 O ATOM 0 H SER A 33 -2.113 9.500 7.759 1.00 0.00 H new ATOM 0 HA SER A 33 -3.358 10.321 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.876 12.373 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.353 10.878 7.469 1.00 0.00 H new ATOM 0 HG SER A 33 -3.231 12.301 8.915 1.00 0.00 H new ATOM 532 N LYS A 34 -0.365 11.164 5.624 1.00 0.00 N ATOM 533 CA LYS A 34 0.745 11.927 5.067 1.00 0.00 C ATOM 534 C LYS A 34 1.261 11.281 3.786 1.00 0.00 C ATOM 535 O LYS A 34 1.090 11.824 2.693 1.00 0.00 O ATOM 536 CB LYS A 34 1.880 12.035 6.089 1.00 0.00 C ATOM 537 CG LYS A 34 1.481 12.749 7.368 1.00 0.00 C ATOM 538 CD LYS A 34 1.679 14.251 7.254 1.00 0.00 C ATOM 539 CE LYS A 34 0.907 14.999 8.330 1.00 0.00 C ATOM 540 NZ LYS A 34 1.346 16.417 8.443 1.00 0.00 N ATOM 0 H LYS A 34 -0.087 10.316 6.118 1.00 0.00 H new ATOM 0 HA LYS A 34 0.382 12.927 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.231 11.033 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.718 12.563 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.436 12.535 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.072 12.365 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.740 14.486 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.353 14.588 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.158 14.966 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.044 14.499 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.796 16.892 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.357 16.449 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.192 16.901 7.536 1.00 0.00 H new ATOM 554 N CYS A 35 1.890 10.119 3.926 1.00 0.00 N ATOM 555 CA CYS A 35 2.429 9.399 2.778 1.00 0.00 C ATOM 556 C CYS A 35 2.554 7.909 3.081 1.00 0.00 C ATOM 557 O CYS A 35 2.546 7.498 4.242 1.00 0.00 O ATOM 558 CB CYS A 35 3.794 9.967 2.388 1.00 0.00 C ATOM 559 SG CYS A 35 3.985 11.732 2.736 1.00 0.00 S ATOM 0 H CYS A 35 2.039 9.656 4.822 1.00 0.00 H new ATOM 0 HA CYS A 35 1.739 9.526 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.570 9.417 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.956 9.798 1.323 1.00 0.00 H new ATOM 0 HG CYS A 35 2.880 12.353 2.446 1.00 0.00 H new ATOM 565 N LEU A 36 2.666 7.104 2.030 1.00 0.00 N ATOM 566 CA LEU A 36 2.790 5.659 2.183 1.00 0.00 C ATOM 567 C LEU A 36 4.242 5.260 2.432 1.00 0.00 C ATOM 568 O LEU A 36 5.085 5.354 1.539 1.00 0.00 O ATOM 569 CB LEU A 36 2.261 4.947 0.936 1.00 0.00 C ATOM 570 CG LEU A 36 2.407 3.425 0.919 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.471 2.787 1.934 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.137 2.879 -0.475 1.00 0.00 C ATOM 0 H LEU A 36 2.673 7.428 1.063 1.00 0.00 H new ATOM 0 HA LEU A 36 2.196 5.358 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.205 5.192 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.777 5.351 0.065 1.00 0.00 H new ATOM 0 HG LEU A 36 3.432 3.175 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.589 1.704 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.712 3.154 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.440 3.046 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.245 1.794 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.123 3.140 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.849 3.310 -1.179 1.00 0.00 H new ATOM 584 N THR A 37 4.526 4.813 3.651 1.00 0.00 N ATOM 585 CA THR A 37 5.875 4.399 4.017 1.00 0.00 C ATOM 586 C THR A 37 5.967 2.883 4.150 1.00 0.00 C ATOM 587 O THR A 37 4.985 2.217 4.480 1.00 0.00 O ATOM 588 CB THR A 37 6.321 5.046 5.342 1.00 0.00 C ATOM 589 OG1 THR A 37 5.906 6.416 5.381 1.00 0.00 O ATOM 590 CG2 THR A 37 7.831 4.963 5.503 1.00 0.00 C ATOM 0 H THR A 37 3.840 4.728 4.401 1.00 0.00 H new ATOM 0 HA THR A 37 6.536 4.733 3.217 1.00 0.00 H new ATOM 0 HB THR A 37 5.854 4.502 6.163 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.191 6.820 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.122 5.426 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.140 3.918 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.314 5.485 4.677 1.00 0.00 H new ATOM 598 N LEU A 38 7.153 2.343 3.890 1.00 0.00 N ATOM 599 CA LEU A 38 7.374 0.904 3.981 1.00 0.00 C ATOM 600 C LEU A 38 8.340 0.572 5.114 1.00 0.00 C ATOM 601 O LEU A 38 8.979 1.459 5.679 1.00 0.00 O ATOM 602 CB LEU A 38 7.920 0.367 2.656 1.00 0.00 C ATOM 603 CG LEU A 38 6.877 -0.089 1.636 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.298 1.106 0.894 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.488 -1.082 0.657 1.00 0.00 C ATOM 0 H LEU A 38 7.976 2.880 3.615 1.00 0.00 H new ATOM 0 HA LEU A 38 6.417 0.427 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.532 1.143 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.580 -0.474 2.872 1.00 0.00 H new ATOM 0 HG LEU A 38 6.067 -0.586 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.557 0.762 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.824 1.782 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.097 1.632 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.732 -1.396 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.316 -0.610 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.854 -1.952 1.202 1.00 0.00 H new ATOM 617 N PHE A 39 8.442 -0.713 5.440 1.00 0.00 N ATOM 618 CA PHE A 39 9.330 -1.162 6.505 1.00 0.00 C ATOM 619 C PHE A 39 9.854 -2.567 6.220 1.00 0.00 C ATOM 620 O PHE A 39 9.085 -3.526 6.162 1.00 0.00 O ATOM 621 CB PHE A 39 8.601 -1.141 7.850 1.00 0.00 C ATOM 622 CG PHE A 39 8.488 0.232 8.449 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.536 1.127 7.989 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.335 0.627 9.472 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.429 2.391 8.538 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.233 1.889 10.026 1.00 0.00 C ATOM 627 CZ PHE A 39 8.279 2.773 9.557 1.00 0.00 C ATOM 0 H PHE A 39 7.921 -1.461 4.982 1.00 0.00 H new ATOM 0 HA PHE A 39 10.178 -0.478 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.601 -1.555 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.126 -1.792 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.869 0.834 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.083 -0.059 9.841 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.682 3.079 8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.898 2.184 10.824 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.199 3.761 9.987 1.00 0.00 H new ATOM 637 N GLN A 40 11.166 -2.678 6.042 1.00 0.00 N ATOM 638 CA GLN A 40 11.792 -3.965 5.762 1.00 0.00 C ATOM 639 C GLN A 40 11.369 -5.011 6.787 1.00 0.00 C ATOM 640 O GLN A 40 10.896 -6.089 6.430 1.00 0.00 O ATOM 641 CB GLN A 40 13.315 -3.825 5.757 1.00 0.00 C ATOM 642 CG GLN A 40 14.039 -5.061 5.247 1.00 0.00 C ATOM 643 CD GLN A 40 15.530 -4.839 5.085 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.319 -5.180 5.967 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.924 -4.265 3.954 1.00 0.00 N ATOM 0 H GLN A 40 11.816 -1.893 6.087 1.00 0.00 H new ATOM 0 HA GLN A 40 11.461 -4.294 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.591 -2.971 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.655 -3.607 6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.872 -5.887 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.613 -5.357 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.235 -3.999 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.915 -4.090 3.789 1.00 0.00 H new ATOM 654 N ASN A 41 11.542 -4.686 8.064 1.00 0.00 N ATOM 655 CA ASN A 41 11.179 -5.598 9.142 1.00 0.00 C ATOM 656 C ASN A 41 10.479 -4.852 10.274 1.00 0.00 C ATOM 657 O ASN A 41 10.551 -3.627 10.359 1.00 0.00 O ATOM 658 CB ASN A 41 12.424 -6.309 9.678 1.00 0.00 C ATOM 659 CG ASN A 41 13.655 -5.424 9.642 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.656 -4.321 10.187 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.711 -5.907 8.997 1.00 0.00 N ATOM 0 H ASN A 41 11.932 -3.797 8.378 1.00 0.00 H new ATOM 0 HA ASN A 41 10.490 -6.340 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.242 -6.632 10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.608 -7.207 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.568 -5.358 8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.665 -6.827 8.560 1.00 0.00 H new ATOM 668 N GLU A 42 9.804 -5.601 11.140 1.00 0.00 N ATOM 669 CA GLU A 42 9.091 -5.010 12.267 1.00 0.00 C ATOM 670 C GLU A 42 10.023 -4.139 13.104 1.00 0.00 C ATOM 671 O GLU A 42 9.645 -3.057 13.551 1.00 0.00 O ATOM 672 CB GLU A 42 8.475 -6.105 13.140 1.00 0.00 C ATOM 673 CG GLU A 42 7.610 -7.086 12.368 1.00 0.00 C ATOM 674 CD GLU A 42 8.397 -8.272 11.845 1.00 0.00 C ATOM 675 OE1 GLU A 42 9.596 -8.382 12.181 1.00 0.00 O ATOM 676 OE2 GLU A 42 7.816 -9.089 11.102 1.00 0.00 O ATOM 0 H GLU A 42 9.736 -6.617 11.083 1.00 0.00 H new ATOM 0 HA GLU A 42 8.294 -4.381 11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.275 -6.653 13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.873 -5.640 13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.808 -7.443 13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.140 -6.569 11.531 1.00 0.00 H new ATOM 683 N SER A 43 11.244 -4.621 13.313 1.00 0.00 N ATOM 684 CA SER A 43 12.230 -3.890 14.101 1.00 0.00 C ATOM 685 C SER A 43 13.559 -3.797 13.357 1.00 0.00 C ATOM 686 O SER A 43 13.960 -4.728 12.660 1.00 0.00 O ATOM 687 CB SER A 43 12.438 -4.570 15.455 1.00 0.00 C ATOM 688 OG SER A 43 12.818 -5.925 15.293 1.00 0.00 O ATOM 0 H SER A 43 11.574 -5.514 12.948 1.00 0.00 H new ATOM 0 HA SER A 43 11.852 -2.880 14.264 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.206 -4.039 16.018 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.519 -4.514 16.038 1.00 0.00 H new ATOM 0 HG SER A 43 12.946 -6.336 16.173 1.00 0.00 H new ATOM 694 N GLY A 44 14.238 -2.664 13.510 1.00 0.00 N ATOM 695 CA GLY A 44 15.514 -2.468 12.847 1.00 0.00 C ATOM 696 C GLY A 44 15.454 -1.391 11.782 1.00 0.00 C ATOM 697 O GLY A 44 15.452 -0.200 12.093 1.00 0.00 O ATOM 0 H GLY A 44 13.927 -1.878 14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.268 -2.201 13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.832 -3.406 12.393 1.00 0.00 H new ATOM 701 N SER A 45 15.408 -1.810 10.521 1.00 0.00 N ATOM 702 CA SER A 45 15.354 -0.872 9.406 1.00 0.00 C ATOM 703 C SER A 45 14.444 0.309 9.732 1.00 0.00 C ATOM 704 O SER A 45 13.574 0.216 10.597 1.00 0.00 O ATOM 705 CB SER A 45 14.860 -1.578 8.142 1.00 0.00 C ATOM 706 OG SER A 45 15.811 -2.521 7.679 1.00 0.00 O ATOM 0 H SER A 45 15.407 -2.792 10.246 1.00 0.00 H new ATOM 0 HA SER A 45 16.362 -0.494 9.232 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.915 -2.081 8.348 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.665 -0.841 7.363 1.00 0.00 H new ATOM 0 HG SER A 45 15.639 -2.723 6.736 1.00 0.00 H new ATOM 712 N LYS A 46 14.652 1.419 9.032 1.00 0.00 N ATOM 713 CA LYS A 46 13.852 2.619 9.244 1.00 0.00 C ATOM 714 C LYS A 46 12.685 2.675 8.263 1.00 0.00 C ATOM 715 O LYS A 46 11.534 2.850 8.662 1.00 0.00 O ATOM 716 CB LYS A 46 14.720 3.870 9.092 1.00 0.00 C ATOM 717 CG LYS A 46 15.695 4.077 10.238 1.00 0.00 C ATOM 718 CD LYS A 46 17.009 3.357 9.990 1.00 0.00 C ATOM 719 CE LYS A 46 17.673 2.941 11.294 1.00 0.00 C ATOM 720 NZ LYS A 46 18.212 4.112 12.039 1.00 0.00 N ATOM 0 H LYS A 46 15.369 1.512 8.312 1.00 0.00 H new ATOM 0 HA LYS A 46 13.451 2.584 10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.279 3.803 8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.073 4.744 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.882 5.143 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.250 3.715 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.831 2.476 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.681 4.007 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.951 2.415 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.482 2.241 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.656 3.787 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.920 4.600 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.437 4.768 12.263 1.00 0.00 H new ATOM 734 N TYR A 47 12.990 2.523 6.979 1.00 0.00 N ATOM 735 CA TYR A 47 11.967 2.557 5.941 1.00 0.00 C ATOM 736 C TYR A 47 12.554 2.182 4.584 1.00 0.00 C ATOM 737 O TYR A 47 13.663 2.591 4.240 1.00 0.00 O ATOM 738 CB TYR A 47 11.332 3.947 5.867 1.00 0.00 C ATOM 739 CG TYR A 47 12.037 4.885 4.914 1.00 0.00 C ATOM 740 CD1 TYR A 47 13.362 5.250 5.120 1.00 0.00 C ATOM 741 CD2 TYR A 47 11.379 5.406 3.806 1.00 0.00 C ATOM 742 CE1 TYR A 47 14.010 6.108 4.252 1.00 0.00 C ATOM 743 CE2 TYR A 47 12.020 6.263 2.932 1.00 0.00 C ATOM 744 CZ TYR A 47 13.335 6.611 3.160 1.00 0.00 C ATOM 745 OH TYR A 47 13.977 7.465 2.292 1.00 0.00 O ATOM 0 H TYR A 47 13.938 2.375 6.632 1.00 0.00 H new ATOM 0 HA TYR A 47 11.200 1.827 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.291 3.846 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.329 4.389 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.894 4.856 5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.349 5.136 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.039 6.383 4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.494 6.658 2.075 1.00 0.00 H new ATOM 0 HH TYR A 47 13.362 7.727 1.576 1.00 0.00 H new ATOM 755 N TYR A 48 11.802 1.401 3.817 1.00 0.00 N ATOM 756 CA TYR A 48 12.247 0.967 2.498 1.00 0.00 C ATOM 757 C TYR A 48 12.228 2.128 1.508 1.00 0.00 C ATOM 758 O TYR A 48 13.274 2.583 1.046 1.00 0.00 O ATOM 759 CB TYR A 48 11.361 -0.170 1.986 1.00 0.00 C ATOM 760 CG TYR A 48 11.674 -0.589 0.567 1.00 0.00 C ATOM 761 CD1 TYR A 48 12.665 -1.527 0.302 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.980 -0.048 -0.508 1.00 0.00 C ATOM 763 CE1 TYR A 48 12.955 -1.913 -0.992 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.262 -0.429 -1.805 1.00 0.00 C ATOM 765 CZ TYR A 48 12.251 -1.361 -2.043 1.00 0.00 C ATOM 766 OH TYR A 48 12.536 -1.743 -3.334 1.00 0.00 O ATOM 0 H TYR A 48 10.881 1.055 4.086 1.00 0.00 H new ATOM 0 HA TYR A 48 13.272 0.607 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.474 -1.032 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.318 0.140 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.218 -1.961 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.206 0.683 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.728 -2.643 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.711 0.000 -2.629 1.00 0.00 H new ATOM 0 HH TYR A 48 11.950 -1.262 -3.955 1.00 0.00 H new ATOM 776 N LYS A 49 11.029 2.602 1.186 1.00 0.00 N ATOM 777 CA LYS A 49 10.870 3.711 0.253 1.00 0.00 C ATOM 778 C LYS A 49 9.576 4.471 0.526 1.00 0.00 C ATOM 779 O LYS A 49 8.522 3.868 0.725 1.00 0.00 O ATOM 780 CB LYS A 49 10.877 3.197 -1.188 1.00 0.00 C ATOM 781 CG LYS A 49 11.411 4.205 -2.191 1.00 0.00 C ATOM 782 CD LYS A 49 11.301 3.686 -3.615 1.00 0.00 C ATOM 783 CE LYS A 49 11.730 4.738 -4.627 1.00 0.00 C ATOM 784 NZ LYS A 49 11.070 4.540 -5.947 1.00 0.00 N ATOM 0 H LYS A 49 10.153 2.235 1.558 1.00 0.00 H new ATOM 0 HA LYS A 49 11.708 4.394 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.481 2.291 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.862 2.919 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.857 5.139 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.453 4.429 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.921 2.797 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.273 3.385 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.487 5.730 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.812 4.701 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.389 5.277 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.322 3.604 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.038 4.601 -5.832 1.00 0.00 H new ATOM 798 N GLU A 50 9.664 5.798 0.533 1.00 0.00 N ATOM 799 CA GLU A 50 8.498 6.638 0.781 1.00 0.00 C ATOM 800 C GLU A 50 7.733 6.904 -0.513 1.00 0.00 C ATOM 801 O GLU A 50 8.316 7.315 -1.517 1.00 0.00 O ATOM 802 CB GLU A 50 8.924 7.964 1.416 1.00 0.00 C ATOM 803 CG GLU A 50 7.790 8.697 2.112 1.00 0.00 C ATOM 804 CD GLU A 50 8.248 9.979 2.780 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.767 10.866 2.071 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.086 10.095 4.013 1.00 0.00 O ATOM 0 H GLU A 50 10.529 6.313 0.370 1.00 0.00 H new ATOM 0 HA GLU A 50 7.840 6.108 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.719 7.773 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.343 8.609 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.012 8.928 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.343 8.042 2.860 1.00 0.00 H new ATOM 813 N ILE A 51 6.427 6.665 -0.480 1.00 0.00 N ATOM 814 CA ILE A 51 5.582 6.879 -1.648 1.00 0.00 C ATOM 815 C ILE A 51 4.492 7.905 -1.359 1.00 0.00 C ATOM 816 O ILE A 51 3.541 7.646 -0.620 1.00 0.00 O ATOM 817 CB ILE A 51 4.926 5.567 -2.116 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.997 4.535 -2.477 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.011 5.826 -3.304 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.527 3.104 -2.341 1.00 0.00 C ATOM 0 H ILE A 51 5.931 6.323 0.343 1.00 0.00 H new ATOM 0 HA ILE A 51 6.229 7.255 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 51 4.325 5.168 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.323 4.706 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.866 4.686 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.555 4.889 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.230 6.530 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.592 6.245 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.337 2.428 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.228 2.916 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.677 2.936 -3.002 1.00 0.00 H new ATOM 832 N PRO A 52 4.629 9.099 -1.955 1.00 0.00 N ATOM 833 CA PRO A 52 3.664 10.187 -1.778 1.00 0.00 C ATOM 834 C PRO A 52 2.328 9.894 -2.453 1.00 0.00 C ATOM 835 O PRO A 52 2.285 9.485 -3.614 1.00 0.00 O ATOM 836 CB PRO A 52 4.349 11.382 -2.446 1.00 0.00 C ATOM 837 CG PRO A 52 5.274 10.777 -3.445 1.00 0.00 C ATOM 838 CD PRO A 52 5.737 9.477 -2.848 1.00 0.00 C ATOM 0 HA PRO A 52 3.422 10.349 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.622 12.038 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.892 11.985 -1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.767 10.611 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.118 11.437 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.911 8.722 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.672 9.596 -2.300 1.00 0.00 H new ATOM 846 N LEU A 53 1.241 10.105 -1.720 1.00 0.00 N ATOM 847 CA LEU A 53 -0.097 9.863 -2.249 1.00 0.00 C ATOM 848 C LEU A 53 -0.246 10.456 -3.646 1.00 0.00 C ATOM 849 O LEU A 53 -1.119 10.052 -4.413 1.00 0.00 O ATOM 850 CB LEU A 53 -1.152 10.459 -1.315 1.00 0.00 C ATOM 851 CG LEU A 53 -1.205 9.875 0.097 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.993 10.788 1.023 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.814 8.481 0.075 1.00 0.00 C ATOM 0 H LEU A 53 1.259 10.443 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.245 8.785 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.975 11.532 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.131 10.331 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.186 9.799 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.020 10.356 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.514 11.766 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.010 10.897 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.844 8.081 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.827 8.533 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.208 7.829 -0.555 1.00 0.00 H new ATOM 865 N SER A 54 0.615 11.415 -3.971 1.00 0.00 N ATOM 866 CA SER A 54 0.579 12.065 -5.276 1.00 0.00 C ATOM 867 C SER A 54 0.982 11.091 -6.379 1.00 0.00 C ATOM 868 O SER A 54 0.196 10.799 -7.280 1.00 0.00 O ATOM 869 CB SER A 54 1.507 13.281 -5.290 1.00 0.00 C ATOM 870 OG SER A 54 1.149 14.208 -4.279 1.00 0.00 O ATOM 0 H SER A 54 1.346 11.759 -3.349 1.00 0.00 H new ATOM 0 HA SER A 54 -0.443 12.395 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.537 12.958 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.461 13.766 -6.265 1.00 0.00 H new ATOM 0 HG SER A 54 1.758 14.975 -4.308 1.00 0.00 H new ATOM 876 N GLU A 55 2.212 10.593 -6.300 1.00 0.00 N ATOM 877 CA GLU A 55 2.720 9.653 -7.293 1.00 0.00 C ATOM 878 C GLU A 55 1.606 8.738 -7.795 1.00 0.00 C ATOM 879 O GLU A 55 1.344 8.664 -8.996 1.00 0.00 O ATOM 880 CB GLU A 55 3.854 8.815 -6.700 1.00 0.00 C ATOM 881 CG GLU A 55 5.229 9.438 -6.879 1.00 0.00 C ATOM 882 CD GLU A 55 5.521 9.801 -8.322 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.260 8.962 -9.209 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.010 10.924 -8.564 1.00 0.00 O ATOM 0 H GLU A 55 2.875 10.824 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 55 3.104 10.227 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.667 8.667 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.848 7.829 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.302 10.333 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.988 8.742 -6.522 1.00 0.00 H new ATOM 891 N ILE A 56 0.956 8.043 -6.868 1.00 0.00 N ATOM 892 CA ILE A 56 -0.129 7.134 -7.216 1.00 0.00 C ATOM 893 C ILE A 56 -1.183 7.836 -8.066 1.00 0.00 C ATOM 894 O ILE A 56 -2.089 8.485 -7.542 1.00 0.00 O ATOM 895 CB ILE A 56 -0.803 6.554 -5.959 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.239 5.892 -5.055 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.884 5.558 -6.350 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.125 5.928 -3.587 1.00 0.00 C ATOM 0 H ILE A 56 1.162 8.092 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 56 0.314 6.320 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.271 7.369 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.369 4.855 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.199 6.389 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.351 5.157 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.637 6.059 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.439 4.744 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.658 5.441 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.227 6.964 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.069 5.405 -3.433 1.00 0.00 H new ATOM 910 N LEU A 57 -1.060 7.700 -9.382 1.00 0.00 N ATOM 911 CA LEU A 57 -2.003 8.320 -10.307 1.00 0.00 C ATOM 912 C LEU A 57 -3.367 7.643 -10.228 1.00 0.00 C ATOM 913 O LEU A 57 -4.396 8.309 -10.107 1.00 0.00 O ATOM 914 CB LEU A 57 -1.467 8.247 -11.738 1.00 0.00 C ATOM 915 CG LEU A 57 -0.064 8.813 -11.959 1.00 0.00 C ATOM 916 CD1 LEU A 57 0.489 8.362 -13.302 1.00 0.00 C ATOM 917 CD2 LEU A 57 -0.082 10.333 -11.871 1.00 0.00 C ATOM 0 H LEU A 57 -0.317 7.166 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.119 9.366 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.470 7.203 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.159 8.779 -12.391 1.00 0.00 H new ATOM 0 HG LEU A 57 0.588 8.431 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.488 8.775 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.539 7.273 -13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.164 8.714 -14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.925 10.719 -12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.749 10.734 -12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.434 10.636 -10.885 1.00 0.00 H new ATOM 929 N ARG A 58 -3.368 6.316 -10.293 1.00 0.00 N ATOM 930 CA ARG A 58 -4.606 5.548 -10.228 1.00 0.00 C ATOM 931 C ARG A 58 -4.315 4.054 -10.127 1.00 0.00 C ATOM 932 O ARG A 58 -3.157 3.641 -10.058 1.00 0.00 O ATOM 933 CB ARG A 58 -5.471 5.829 -11.459 1.00 0.00 C ATOM 934 CG ARG A 58 -4.786 5.492 -12.773 1.00 0.00 C ATOM 935 CD ARG A 58 -5.792 5.075 -13.835 1.00 0.00 C ATOM 936 NE ARG A 58 -5.149 4.417 -14.969 1.00 0.00 N ATOM 937 CZ ARG A 58 -5.813 3.955 -16.023 1.00 0.00 C ATOM 938 NH1 ARG A 58 -7.132 4.079 -16.087 1.00 0.00 N ATOM 939 NH2 ARG A 58 -5.158 3.368 -17.016 1.00 0.00 N ATOM 0 H ARG A 58 -2.525 5.750 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.148 5.856 -9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.395 5.255 -11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.750 6.883 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.223 6.357 -13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.068 4.687 -12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.527 4.401 -13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.335 5.953 -14.185 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.135 4.306 -14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.639 4.530 -15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.639 3.723 -16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.144 3.271 -16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.669 3.014 -17.825 1.00 0.00 H new ATOM 953 N ILE A 59 -5.373 3.250 -10.119 1.00 0.00 N ATOM 954 CA ILE A 59 -5.230 1.802 -10.028 1.00 0.00 C ATOM 955 C ILE A 59 -5.248 1.159 -11.410 1.00 0.00 C ATOM 956 O ILE A 59 -5.899 1.656 -12.329 1.00 0.00 O ATOM 957 CB ILE A 59 -6.348 1.179 -9.170 1.00 0.00 C ATOM 958 CG1 ILE A 59 -6.210 1.624 -7.713 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.311 -0.338 -9.273 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.883 1.250 -7.090 1.00 0.00 C ATOM 0 H ILE A 59 -6.338 3.576 -10.174 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.268 1.610 -9.553 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.311 1.525 -9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.336 2.705 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.015 1.179 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.107 -0.764 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.453 -0.636 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.347 -0.703 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.855 1.597 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.763 0.167 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.073 1.717 -7.651 1.00 0.00 H new ATOM 972 N SER A 60 -4.529 0.050 -11.551 1.00 0.00 N ATOM 973 CA SER A 60 -4.460 -0.661 -12.822 1.00 0.00 C ATOM 974 C SER A 60 -5.799 -1.312 -13.154 1.00 0.00 C ATOM 975 O SER A 60 -6.728 -1.292 -12.346 1.00 0.00 O ATOM 976 CB SER A 60 -3.360 -1.723 -12.777 1.00 0.00 C ATOM 977 OG SER A 60 -3.342 -2.489 -13.970 1.00 0.00 O ATOM 0 H SER A 60 -3.986 -0.376 -10.800 1.00 0.00 H new ATOM 0 HA SER A 60 -4.225 0.062 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.392 -1.243 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.519 -2.380 -11.922 1.00 0.00 H new ATOM 0 HG SER A 60 -2.425 -2.778 -14.159 1.00 0.00 H new ATOM 983 N SER A 61 -5.890 -1.889 -14.347 1.00 0.00 N ATOM 984 CA SER A 61 -7.116 -2.544 -14.789 1.00 0.00 C ATOM 985 C SER A 61 -6.960 -4.061 -14.765 1.00 0.00 C ATOM 986 O SER A 61 -5.852 -4.597 -14.727 1.00 0.00 O ATOM 987 CB SER A 61 -7.487 -2.080 -16.199 1.00 0.00 C ATOM 988 OG SER A 61 -8.353 -0.958 -16.155 1.00 0.00 O ATOM 0 H SER A 61 -5.129 -1.917 -15.026 1.00 0.00 H new ATOM 0 HA SER A 61 -7.915 -2.268 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.583 -1.824 -16.751 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.970 -2.895 -16.738 1.00 0.00 H new ATOM 0 HG SER A 61 -8.574 -0.679 -17.068 1.00 0.00 H new ATOM 994 N PRO A 62 -8.097 -4.772 -14.789 1.00 0.00 N ATOM 995 CA PRO A 62 -8.115 -6.238 -14.771 1.00 0.00 C ATOM 996 C PRO A 62 -7.597 -6.839 -16.073 1.00 0.00 C ATOM 997 O PRO A 62 -7.629 -8.056 -16.261 1.00 0.00 O ATOM 998 CB PRO A 62 -9.596 -6.572 -14.579 1.00 0.00 C ATOM 999 CG PRO A 62 -10.325 -5.391 -15.121 1.00 0.00 C ATOM 1000 CD PRO A 62 -9.453 -4.200 -14.834 1.00 0.00 C ATOM 0 HA PRO A 62 -7.469 -6.645 -13.993 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.868 -7.484 -15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.832 -6.734 -13.527 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.500 -5.498 -16.192 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.301 -5.284 -14.648 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.543 -3.440 -15.610 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.720 -3.725 -13.890 1.00 0.00 H new ATOM 1008 N ARG A 63 -7.121 -5.980 -16.968 1.00 0.00 N ATOM 1009 CA ARG A 63 -6.598 -6.428 -18.253 1.00 0.00 C ATOM 1010 C ARG A 63 -5.163 -6.928 -18.111 1.00 0.00 C ATOM 1011 O ARG A 63 -4.700 -7.750 -18.902 1.00 0.00 O ATOM 1012 CB ARG A 63 -6.654 -5.291 -19.275 1.00 0.00 C ATOM 1013 CG ARG A 63 -6.230 -5.707 -20.674 1.00 0.00 C ATOM 1014 CD ARG A 63 -6.262 -4.532 -21.639 1.00 0.00 C ATOM 1015 NE ARG A 63 -5.793 -4.905 -22.971 1.00 0.00 N ATOM 1016 CZ ARG A 63 -5.916 -4.124 -24.038 1.00 0.00 C ATOM 1017 NH1 ARG A 63 -6.490 -2.933 -23.930 1.00 0.00 N ATOM 1018 NH2 ARG A 63 -5.465 -4.533 -25.217 1.00 0.00 N ATOM 0 H ARG A 63 -7.087 -4.970 -16.827 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.219 -7.252 -18.602 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.670 -4.899 -19.314 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.012 -4.478 -18.937 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.224 -6.125 -20.641 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.891 -6.495 -21.036 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.279 -4.147 -21.708 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.641 -3.725 -21.249 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.347 -5.815 -23.088 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.838 -2.615 -23.026 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.583 -2.335 -24.751 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.023 -5.448 -25.305 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.560 -3.932 -26.036 1.00 0.00 H new ATOM 1032 N ASP A 64 -4.464 -6.425 -17.099 1.00 0.00 N ATOM 1033 CA ASP A 64 -3.082 -6.820 -16.853 1.00 0.00 C ATOM 1034 C ASP A 64 -2.934 -7.445 -15.469 1.00 0.00 C ATOM 1035 O ASP A 64 -2.039 -7.083 -14.706 1.00 0.00 O ATOM 1036 CB ASP A 64 -2.153 -5.612 -16.982 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.759 -6.000 -17.433 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -0.622 -7.042 -18.107 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.196 -5.262 -17.110 1.00 0.00 O ATOM 0 H ASP A 64 -4.832 -5.743 -16.436 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.804 -7.564 -17.600 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.578 -4.905 -17.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.092 -5.100 -16.022 1.00 0.00 H new ATOM 1044 N PHE A 65 -3.819 -8.385 -15.153 1.00 0.00 N ATOM 1045 CA PHE A 65 -3.788 -9.060 -13.860 1.00 0.00 C ATOM 1046 C PHE A 65 -3.966 -10.566 -14.029 1.00 0.00 C ATOM 1047 O PHE A 65 -4.533 -11.237 -13.166 1.00 0.00 O ATOM 1048 CB PHE A 65 -4.882 -8.505 -12.946 1.00 0.00 C ATOM 1049 CG PHE A 65 -6.186 -9.242 -13.055 1.00 0.00 C ATOM 1050 CD1 PHE A 65 -6.708 -9.573 -14.295 1.00 0.00 C ATOM 1051 CD2 PHE A 65 -6.890 -9.604 -11.918 1.00 0.00 C ATOM 1052 CE1 PHE A 65 -7.908 -10.250 -14.399 1.00 0.00 C ATOM 1053 CE2 PHE A 65 -8.091 -10.282 -12.015 1.00 0.00 C ATOM 1054 CZ PHE A 65 -8.600 -10.606 -13.258 1.00 0.00 C ATOM 0 H PHE A 65 -4.566 -8.697 -15.774 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.815 -8.876 -13.404 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.536 -8.546 -11.913 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.046 -7.455 -13.186 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.171 -9.299 -15.191 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.496 -9.354 -10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.305 -10.501 -15.372 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.630 -10.558 -11.121 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.537 -11.137 -13.337 1.00 0.00 H new ATOM 1064 N THR A 66 -3.477 -11.092 -15.147 1.00 0.00 N ATOM 1065 CA THR A 66 -3.582 -12.518 -15.431 1.00 0.00 C ATOM 1066 C THR A 66 -2.263 -13.232 -15.159 1.00 0.00 C ATOM 1067 O THR A 66 -2.121 -14.422 -15.437 1.00 0.00 O ATOM 1068 CB THR A 66 -3.998 -12.771 -16.892 1.00 0.00 C ATOM 1069 OG1 THR A 66 -4.249 -14.166 -17.096 1.00 0.00 O ATOM 1070 CG2 THR A 66 -2.916 -12.300 -17.852 1.00 0.00 C ATOM 0 H THR A 66 -3.004 -10.552 -15.871 1.00 0.00 H new ATOM 0 HA THR A 66 -4.350 -12.916 -14.768 1.00 0.00 H new ATOM 0 HB THR A 66 -4.909 -12.206 -17.090 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.626 -14.693 -16.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.232 -12.489 -18.878 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.748 -11.232 -17.715 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.991 -12.841 -17.652 1.00 0.00 H new ATOM 1078 N ASN A 67 -1.299 -12.497 -14.614 1.00 0.00 N ATOM 1079 CA ASN A 67 0.010 -13.060 -14.304 1.00 0.00 C ATOM 1080 C ASN A 67 -0.007 -13.763 -12.950 1.00 0.00 C ATOM 1081 O ASN A 67 0.941 -13.654 -12.172 1.00 0.00 O ATOM 1082 CB ASN A 67 1.075 -11.962 -14.309 1.00 0.00 C ATOM 1083 CG ASN A 67 1.683 -11.751 -15.682 1.00 0.00 C ATOM 1084 OD1 ASN A 67 2.566 -12.498 -16.104 1.00 0.00 O ATOM 1085 ND2 ASN A 67 1.211 -10.730 -16.387 1.00 0.00 N ATOM 0 H ASN A 67 -1.400 -11.510 -14.378 1.00 0.00 H new ATOM 0 HA ASN A 67 0.253 -13.795 -15.071 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.631 -11.028 -13.964 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.863 -12.221 -13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.581 -10.539 -17.318 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.478 -10.137 -15.998 1.00 0.00 H new ATOM 1092 N ILE A 68 -1.089 -14.483 -12.677 1.00 0.00 N ATOM 1093 CA ILE A 68 -1.228 -15.204 -11.418 1.00 0.00 C ATOM 1094 C ILE A 68 -0.874 -16.678 -11.587 1.00 0.00 C ATOM 1095 O ILE A 68 -0.885 -17.444 -10.623 1.00 0.00 O ATOM 1096 CB ILE A 68 -2.660 -15.093 -10.860 1.00 0.00 C ATOM 1097 CG1 ILE A 68 -3.670 -15.628 -11.877 1.00 0.00 C ATOM 1098 CG2 ILE A 68 -2.977 -13.649 -10.500 1.00 0.00 C ATOM 1099 CD1 ILE A 68 -4.995 -16.021 -11.263 1.00 0.00 C ATOM 0 H ILE A 68 -1.882 -14.583 -13.310 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.535 -14.744 -10.713 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.730 -15.697 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.843 -14.868 -12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.241 -16.494 -12.382 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.992 -13.586 -10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.273 -13.299 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.893 -13.025 -11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.661 -16.391 -12.042 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.834 -16.803 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.445 -15.152 -10.783 1.00 0.00 H new ATOM 1111 N SER A 69 -0.559 -17.068 -12.818 1.00 0.00 N ATOM 1112 CA SER A 69 -0.203 -18.451 -13.114 1.00 0.00 C ATOM 1113 C SER A 69 1.062 -18.858 -12.365 1.00 0.00 C ATOM 1114 O SER A 69 1.926 -18.027 -12.087 1.00 0.00 O ATOM 1115 CB SER A 69 0.000 -18.636 -14.619 1.00 0.00 C ATOM 1116 OG SER A 69 -1.206 -18.408 -15.328 1.00 0.00 O ATOM 0 H SER A 69 -0.543 -16.446 -13.626 1.00 0.00 H new ATOM 0 HA SER A 69 -1.022 -19.090 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.769 -17.949 -14.973 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.358 -19.646 -14.819 1.00 0.00 H new ATOM 0 HG SER A 69 -1.050 -18.531 -16.288 1.00 0.00 H new ATOM 1122 N GLN A 70 1.163 -20.143 -12.041 1.00 0.00 N ATOM 1123 CA GLN A 70 2.321 -20.662 -11.323 1.00 0.00 C ATOM 1124 C GLN A 70 2.674 -19.766 -10.140 1.00 0.00 C ATOM 1125 O GLN A 70 3.847 -19.502 -9.877 1.00 0.00 O ATOM 1126 CB GLN A 70 3.521 -20.778 -12.266 1.00 0.00 C ATOM 1127 CG GLN A 70 3.571 -22.093 -13.026 1.00 0.00 C ATOM 1128 CD GLN A 70 4.698 -22.139 -14.039 1.00 0.00 C ATOM 1129 OE1 GLN A 70 5.806 -22.581 -13.734 1.00 0.00 O ATOM 1130 NE2 GLN A 70 4.421 -21.680 -15.254 1.00 0.00 N ATOM 0 H GLN A 70 0.457 -20.844 -12.264 1.00 0.00 H new ATOM 0 HA GLN A 70 2.069 -21.652 -10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.492 -19.956 -12.981 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.439 -20.666 -11.689 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.690 -22.913 -12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.621 -22.249 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.489 -21.323 -15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.140 -21.685 -15.977 1.00 0.00 H new ATOM 1139 N GLY A 71 1.651 -19.301 -9.430 1.00 0.00 N ATOM 1140 CA GLY A 71 1.874 -18.439 -8.284 1.00 0.00 C ATOM 1141 C GLY A 71 1.176 -18.943 -7.036 1.00 0.00 C ATOM 1142 O GLY A 71 0.276 -19.779 -7.114 1.00 0.00 O ATOM 0 H GLY A 71 0.672 -19.506 -9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.944 -18.363 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.520 -17.434 -8.514 1.00 0.00 H new ATOM 1146 N SER A 72 1.594 -18.435 -5.881 1.00 0.00 N ATOM 1147 CA SER A 72 1.006 -18.842 -4.610 1.00 0.00 C ATOM 1148 C SER A 72 -0.013 -17.814 -4.128 1.00 0.00 C ATOM 1149 O SER A 72 -1.126 -18.164 -3.737 1.00 0.00 O ATOM 1150 CB SER A 72 2.099 -19.027 -3.555 1.00 0.00 C ATOM 1151 OG SER A 72 1.546 -19.423 -2.312 1.00 0.00 O ATOM 0 H SER A 72 2.337 -17.741 -5.799 1.00 0.00 H new ATOM 0 HA SER A 72 0.493 -19.792 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.813 -19.777 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.651 -18.095 -3.431 1.00 0.00 H new ATOM 0 HG SER A 72 2.265 -19.536 -1.655 1.00 0.00 H new ATOM 1157 N ASN A 73 0.377 -16.544 -4.159 1.00 0.00 N ATOM 1158 CA ASN A 73 -0.502 -15.464 -3.725 1.00 0.00 C ATOM 1159 C ASN A 73 -0.669 -14.423 -4.828 1.00 0.00 C ATOM 1160 O ASN A 73 0.174 -13.547 -5.022 1.00 0.00 O ATOM 1161 CB ASN A 73 0.055 -14.802 -2.463 1.00 0.00 C ATOM 1162 CG ASN A 73 0.576 -15.814 -1.461 1.00 0.00 C ATOM 1163 OD1 ASN A 73 1.772 -16.105 -1.421 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -0.321 -16.356 -0.646 1.00 0.00 N ATOM 0 H ASN A 73 1.295 -16.237 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.480 -15.891 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.860 -14.120 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.726 -14.201 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.029 -17.043 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.302 -16.085 -0.715 1.00 0.00 H new ATOM 1171 N PRO A 74 -1.784 -14.518 -5.567 1.00 0.00 N ATOM 1172 CA PRO A 74 -2.089 -13.592 -6.662 1.00 0.00 C ATOM 1173 C PRO A 74 -2.424 -12.192 -6.160 1.00 0.00 C ATOM 1174 O PRO A 74 -2.800 -12.010 -5.002 1.00 0.00 O ATOM 1175 CB PRO A 74 -3.310 -14.227 -7.333 1.00 0.00 C ATOM 1176 CG PRO A 74 -3.953 -15.037 -6.261 1.00 0.00 C ATOM 1177 CD PRO A 74 -2.832 -15.537 -5.391 1.00 0.00 C ATOM 0 HA PRO A 74 -1.240 -13.458 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.991 -13.467 -7.717 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.018 -14.850 -8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.655 -14.435 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.518 -15.867 -6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.139 -15.622 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.490 -16.524 -5.704 1.00 0.00 H new ATOM 1185 N HIS A 75 -2.287 -11.205 -7.040 1.00 0.00 N ATOM 1186 CA HIS A 75 -2.576 -9.820 -6.686 1.00 0.00 C ATOM 1187 C HIS A 75 -4.034 -9.477 -6.980 1.00 0.00 C ATOM 1188 O HIS A 75 -4.707 -10.182 -7.732 1.00 0.00 O ATOM 1189 CB HIS A 75 -1.653 -8.872 -7.451 1.00 0.00 C ATOM 1190 CG HIS A 75 -1.907 -8.850 -8.927 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -1.599 -9.904 -9.760 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.446 -7.893 -9.718 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -1.935 -9.597 -11.000 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.452 -8.381 -11.002 1.00 0.00 N ATOM 0 H HIS A 75 -1.978 -11.339 -8.003 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.401 -9.700 -5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.773 -7.864 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.618 -9.164 -7.273 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.177 -10.784 -9.465 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.805 -6.926 -9.399 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.809 -10.232 -11.865 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.514 -8.392 -6.382 1.00 0.00 N ATOM 1204 CA CYS A 76 -5.892 -7.957 -6.578 1.00 0.00 C ATOM 1205 C CYS A 76 -5.939 -6.546 -7.155 1.00 0.00 C ATOM 1206 O CYS A 76 -6.950 -6.130 -7.722 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.658 -8.007 -5.256 1.00 0.00 C ATOM 1208 SG CYS A 76 -6.559 -6.483 -4.288 1.00 0.00 S ATOM 0 H CYS A 76 -3.969 -7.798 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.364 -8.636 -7.288 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.706 -8.226 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.273 -8.832 -4.656 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.691 -5.681 -4.829 1.00 0.00 H new ATOM 1214 N PHE A 77 -4.841 -5.814 -7.005 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.758 -4.448 -7.508 1.00 0.00 C ATOM 1216 C PHE A 77 -3.313 -4.071 -7.822 1.00 0.00 C ATOM 1217 O PHE A 77 -2.386 -4.823 -7.525 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.342 -3.469 -6.487 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.479 -3.284 -5.272 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.038 -4.379 -4.546 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -4.108 -2.015 -4.856 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -3.244 -4.212 -3.427 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.314 -1.843 -3.738 1.00 0.00 C ATOM 1224 CZ PHE A 77 -2.882 -2.942 -3.023 1.00 0.00 C ATOM 0 H PHE A 77 -3.996 -6.144 -6.539 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.338 -4.391 -8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.491 -2.502 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.324 -3.825 -6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.318 -5.374 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.443 -1.151 -5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.907 -5.073 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.032 -0.849 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.262 -2.809 -2.149 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.131 -2.900 -8.425 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.800 -2.423 -8.780 1.00 0.00 C ATOM 1236 C GLU A 78 -1.678 -0.921 -8.543 1.00 0.00 C ATOM 1237 O GLU A 78 -2.624 -0.167 -8.774 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.492 -2.747 -10.244 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.061 -4.078 -10.706 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.072 -4.215 -12.216 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.353 -3.444 -12.886 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.799 -5.092 -12.727 1.00 0.00 O ATOM 0 H GLU A 78 -3.888 -2.265 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.078 -2.933 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.891 -1.953 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.411 -2.755 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.474 -4.889 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.078 -4.185 -10.328 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.508 -0.493 -8.082 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.262 0.919 -7.814 1.00 0.00 C ATOM 1251 C ILE A 79 0.592 1.545 -8.911 1.00 0.00 C ATOM 1252 O ILE A 79 1.813 1.382 -8.929 1.00 0.00 O ATOM 1253 CB ILE A 79 0.435 1.121 -6.456 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.351 0.422 -5.345 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.584 2.605 -6.154 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.325 0.486 -3.994 1.00 0.00 C ATOM 0 H ILE A 79 0.285 -1.104 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.235 1.411 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 79 1.430 0.678 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.339 0.876 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.500 -0.623 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.078 2.732 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.182 3.077 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.401 3.070 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.289 -0.030 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.302 0.006 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.450 1.528 -3.699 1.00 0.00 H new ATOM 1268 N ILE A 80 -0.056 2.263 -9.821 1.00 0.00 N ATOM 1269 CA ILE A 80 0.645 2.917 -10.919 1.00 0.00 C ATOM 1270 C ILE A 80 1.098 4.319 -10.525 1.00 0.00 C ATOM 1271 O ILE A 80 0.279 5.222 -10.348 1.00 0.00 O ATOM 1272 CB ILE A 80 -0.240 3.010 -12.176 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.697 1.616 -12.609 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.513 3.700 -13.304 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.956 1.150 -11.912 1.00 0.00 C ATOM 0 H ILE A 80 -1.066 2.407 -9.820 1.00 0.00 H new ATOM 0 HA ILE A 80 1.519 2.305 -11.144 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.123 3.604 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.866 1.616 -13.686 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.103 0.903 -12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.126 3.758 -14.185 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.794 4.706 -12.992 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.411 3.131 -13.544 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.222 0.154 -12.268 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.785 1.117 -10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.770 1.842 -12.130 1.00 0.00 H new ATOM 1287 N THR A 81 2.409 4.495 -10.390 1.00 0.00 N ATOM 1288 CA THR A 81 2.972 5.787 -10.018 1.00 0.00 C ATOM 1289 C THR A 81 3.459 6.549 -11.245 1.00 0.00 C ATOM 1290 O THR A 81 3.406 6.040 -12.365 1.00 0.00 O ATOM 1291 CB THR A 81 4.142 5.626 -9.030 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.104 4.704 -9.555 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.646 5.133 -7.679 1.00 0.00 C ATOM 0 H THR A 81 3.101 3.759 -10.533 1.00 0.00 H new ATOM 0 HA THR A 81 2.174 6.352 -9.536 1.00 0.00 H new ATOM 0 HB THR A 81 4.610 6.601 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.724 3.801 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.490 5.027 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.936 5.851 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.155 4.167 -7.802 1.00 0.00 H new ATOM 1301 N ASP A 82 3.934 7.770 -11.027 1.00 0.00 N ATOM 1302 CA ASP A 82 4.433 8.602 -12.116 1.00 0.00 C ATOM 1303 C ASP A 82 5.808 8.128 -12.576 1.00 0.00 C ATOM 1304 O ASP A 82 6.447 8.761 -13.417 1.00 0.00 O ATOM 1305 CB ASP A 82 4.505 10.065 -11.677 1.00 0.00 C ATOM 1306 CG ASP A 82 4.298 11.026 -12.831 1.00 0.00 C ATOM 1307 OD1 ASP A 82 3.171 11.076 -13.367 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.263 11.729 -13.199 1.00 0.00 O ATOM 0 H ASP A 82 3.984 8.206 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 82 3.740 8.516 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.749 10.250 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.475 10.256 -11.218 1.00 0.00 H new ATOM 1313 N THR A 83 6.260 7.009 -12.017 1.00 0.00 N ATOM 1314 CA THR A 83 7.560 6.451 -12.368 1.00 0.00 C ATOM 1315 C THR A 83 7.422 5.032 -12.907 1.00 0.00 C ATOM 1316 O THR A 83 7.578 4.795 -14.105 1.00 0.00 O ATOM 1317 CB THR A 83 8.511 6.437 -11.156 1.00 0.00 C ATOM 1318 OG1 THR A 83 7.847 5.875 -10.019 1.00 0.00 O ATOM 1319 CG2 THR A 83 8.989 7.843 -10.826 1.00 0.00 C ATOM 0 H THR A 83 5.745 6.472 -11.320 1.00 0.00 H new ATOM 0 HA THR A 83 7.980 7.092 -13.143 1.00 0.00 H new ATOM 0 HB THR A 83 9.377 5.826 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.459 5.868 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.659 7.807 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.520 8.257 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.131 8.473 -10.591 1.00 0.00 H new ATOM 1327 N MET A 84 7.128 4.091 -12.016 1.00 0.00 N ATOM 1328 CA MET A 84 6.967 2.695 -12.405 1.00 0.00 C ATOM 1329 C MET A 84 5.676 2.117 -11.833 1.00 0.00 C ATOM 1330 O MET A 84 5.141 2.623 -10.846 1.00 0.00 O ATOM 1331 CB MET A 84 8.164 1.869 -11.929 1.00 0.00 C ATOM 1332 CG MET A 84 7.913 0.370 -11.943 1.00 0.00 C ATOM 1333 SD MET A 84 9.433 -0.590 -11.816 1.00 0.00 S ATOM 1334 CE MET A 84 9.182 -1.796 -13.116 1.00 0.00 C ATOM 0 H MET A 84 6.996 4.270 -11.020 1.00 0.00 H new ATOM 0 HA MET A 84 6.914 2.651 -13.493 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.023 2.091 -12.562 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.427 2.176 -10.917 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.253 0.108 -11.116 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.394 0.101 -12.863 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.707 -2.717 -12.864 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.117 -2.002 -13.220 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.569 -1.403 -14.056 1.00 0.00 H new ATOM 1344 N VAL A 85 5.181 1.054 -12.459 1.00 0.00 N ATOM 1345 CA VAL A 85 3.953 0.407 -12.012 1.00 0.00 C ATOM 1346 C VAL A 85 4.251 -0.710 -11.017 1.00 0.00 C ATOM 1347 O VAL A 85 5.231 -1.441 -11.164 1.00 0.00 O ATOM 1348 CB VAL A 85 3.161 -0.175 -13.197 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.896 -0.863 -12.708 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.829 0.917 -14.203 1.00 0.00 C ATOM 0 H VAL A 85 5.611 0.623 -13.277 1.00 0.00 H new ATOM 0 HA VAL A 85 3.351 1.174 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 85 3.781 -0.920 -13.695 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.350 -1.268 -13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.162 -1.673 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.269 -0.142 -12.184 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.269 0.488 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.228 1.687 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.752 1.360 -14.577 1.00 0.00 H new ATOM 1360 N TYR A 86 3.400 -0.836 -10.005 1.00 0.00 N ATOM 1361 CA TYR A 86 3.573 -1.863 -8.985 1.00 0.00 C ATOM 1362 C TYR A 86 2.309 -2.704 -8.839 1.00 0.00 C ATOM 1363 O TYR A 86 1.194 -2.205 -8.996 1.00 0.00 O ATOM 1364 CB TYR A 86 3.930 -1.222 -7.642 1.00 0.00 C ATOM 1365 CG TYR A 86 5.101 -0.269 -7.719 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.329 -0.686 -8.219 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.981 1.047 -7.290 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.403 0.181 -8.290 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.049 1.921 -7.359 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.258 1.483 -7.859 1.00 0.00 C ATOM 1371 OH TYR A 86 8.324 2.350 -7.928 1.00 0.00 O ATOM 0 H TYR A 86 2.584 -0.240 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 86 4.388 -2.516 -9.297 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.060 -0.686 -7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.159 -2.008 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.446 -1.705 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.037 1.393 -6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.351 -0.159 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.938 2.941 -7.023 1.00 0.00 H new ATOM 0 HH TYR A 86 8.054 3.228 -7.586 1.00 0.00 H new ATOM 1381 N PHE A 87 2.491 -3.985 -8.536 1.00 0.00 N ATOM 1382 CA PHE A 87 1.366 -4.899 -8.369 1.00 0.00 C ATOM 1383 C PHE A 87 1.322 -5.453 -6.948 1.00 0.00 C ATOM 1384 O PHE A 87 2.201 -6.211 -6.538 1.00 0.00 O ATOM 1385 CB PHE A 87 1.461 -6.048 -9.374 1.00 0.00 C ATOM 1386 CG PHE A 87 1.453 -5.594 -10.806 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.529 -4.898 -11.332 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.370 -5.865 -11.626 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.524 -4.478 -12.649 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.360 -5.449 -12.945 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.439 -4.755 -13.456 1.00 0.00 C ATOM 0 H PHE A 87 3.406 -4.414 -8.401 1.00 0.00 H new ATOM 0 HA PHE A 87 0.447 -4.342 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.375 -6.611 -9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.627 -6.731 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.382 -4.681 -10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.476 -6.407 -11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.368 -3.934 -13.046 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.490 -5.667 -13.574 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.434 -4.429 -14.486 1.00 0.00 H new ATOM 1401 N VAL A 88 0.293 -5.068 -6.200 1.00 0.00 N ATOM 1402 CA VAL A 88 0.133 -5.526 -4.826 1.00 0.00 C ATOM 1403 C VAL A 88 -1.090 -6.426 -4.685 1.00 0.00 C ATOM 1404 O VAL A 88 -2.012 -6.370 -5.498 1.00 0.00 O ATOM 1405 CB VAL A 88 0.000 -4.341 -3.851 1.00 0.00 C ATOM 1406 CG1 VAL A 88 0.099 -4.820 -2.411 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.057 -3.288 -4.146 1.00 0.00 C ATOM 0 H VAL A 88 -0.443 -4.440 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 88 1.029 -6.094 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.981 -3.887 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.003 -3.969 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.699 -5.534 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.064 -5.301 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.948 -2.458 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.049 -3.727 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.933 -2.923 -5.166 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.092 -7.255 -3.645 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.207 -8.155 -3.416 1.00 0.00 C ATOM 1419 C GLY A 89 -1.757 -9.542 -3.003 1.00 0.00 C ATOM 1420 O GLY A 89 -0.930 -10.158 -3.675 1.00 0.00 O ATOM 0 H GLY A 89 -0.341 -7.319 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.852 -7.740 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.805 -8.226 -4.324 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.302 -10.035 -1.895 1.00 0.00 N ATOM 1425 CA GLU A 90 -1.949 -11.358 -1.394 1.00 0.00 C ATOM 1426 C GLU A 90 -3.200 -12.180 -1.099 1.00 0.00 C ATOM 1427 O GLU A 90 -3.979 -11.846 -0.208 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.096 -11.237 -0.129 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.824 -12.568 0.551 1.00 0.00 C ATOM 1430 CD GLU A 90 0.421 -12.537 1.417 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.711 -11.471 2.000 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.105 -13.578 1.511 1.00 0.00 O ATOM 0 H GLU A 90 -2.989 -9.538 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.373 -11.869 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.146 -10.769 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.598 -10.574 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.682 -12.840 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.716 -13.344 -0.207 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.385 -13.256 -1.857 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.542 -14.126 -1.679 1.00 0.00 C ATOM 1441 C ASN A 91 -4.106 -15.565 -1.420 1.00 0.00 C ATOM 1442 O ASN A 91 -3.128 -16.040 -1.994 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.445 -14.068 -2.913 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.809 -14.680 -2.661 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.143 -15.729 -3.211 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.606 -14.025 -1.824 1.00 0.00 N ATOM 0 H ASN A 91 -2.749 -13.546 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.101 -13.773 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.567 -13.030 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.962 -14.591 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.536 -14.389 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.288 -13.158 -1.390 1.00 0.00 H new ATOM 1453 N ASN A 92 -4.841 -16.253 -0.552 1.00 0.00 N ATOM 1454 CA ASN A 92 -4.530 -17.638 -0.218 1.00 0.00 C ATOM 1455 C ASN A 92 -5.741 -18.538 -0.448 1.00 0.00 C ATOM 1456 O ASN A 92 -5.643 -19.571 -1.109 1.00 0.00 O ATOM 1457 CB ASN A 92 -4.073 -17.743 1.239 1.00 0.00 C ATOM 1458 CG ASN A 92 -5.109 -17.212 2.210 1.00 0.00 C ATOM 1459 OD1 ASN A 92 -5.462 -16.033 2.176 1.00 0.00 O ATOM 1460 ND2 ASN A 92 -5.603 -18.083 3.082 1.00 0.00 N ATOM 0 H ASN A 92 -5.655 -15.874 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.723 -17.970 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.858 -18.785 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.143 -17.189 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.304 -17.784 3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.281 -19.051 3.074 1.00 0.00 H new ATOM 1467 N GLY A 93 -6.883 -18.138 0.104 1.00 0.00 N ATOM 1468 CA GLY A 93 -8.096 -18.918 -0.053 1.00 0.00 C ATOM 1469 C GLY A 93 -9.132 -18.597 1.006 1.00 0.00 C ATOM 1470 O GLY A 93 -10.225 -18.125 0.691 1.00 0.00 O ATOM 0 H GLY A 93 -6.989 -17.288 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.519 -18.731 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.851 -19.979 -0.007 1.00 0.00 H new ATOM 1474 N ASP A 94 -8.791 -18.855 2.263 1.00 0.00 N ATOM 1475 CA ASP A 94 -9.701 -18.591 3.372 1.00 0.00 C ATOM 1476 C ASP A 94 -9.694 -17.110 3.739 1.00 0.00 C ATOM 1477 O ASP A 94 -8.873 -16.662 4.539 1.00 0.00 O ATOM 1478 CB ASP A 94 -9.313 -19.432 4.589 1.00 0.00 C ATOM 1479 CG ASP A 94 -8.828 -20.816 4.205 1.00 0.00 C ATOM 1480 OD1 ASP A 94 -9.216 -21.302 3.122 1.00 0.00 O ATOM 1481 OD2 ASP A 94 -8.058 -21.412 4.987 1.00 0.00 O ATOM 0 H ASP A 94 -7.891 -19.247 2.540 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.708 -18.865 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.531 -18.918 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.172 -19.523 5.253 1.00 0.00 H new ATOM 1486 N SER A 95 -10.615 -16.355 3.148 1.00 0.00 N ATOM 1487 CA SER A 95 -10.713 -14.924 3.409 1.00 0.00 C ATOM 1488 C SER A 95 -11.709 -14.642 4.530 1.00 0.00 C ATOM 1489 O SER A 95 -11.366 -14.030 5.541 1.00 0.00 O ATOM 1490 CB SER A 95 -11.132 -14.180 2.140 1.00 0.00 C ATOM 1491 OG SER A 95 -10.669 -12.840 2.157 1.00 0.00 O ATOM 0 H SER A 95 -11.304 -16.711 2.485 1.00 0.00 H new ATOM 0 HA SER A 95 -9.731 -14.569 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.734 -14.694 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.218 -14.192 2.050 1.00 0.00 H new ATOM 0 HG SER A 95 -9.724 -12.817 1.898 1.00 0.00 H new ATOM 1497 N SER A 96 -12.945 -15.095 4.342 1.00 0.00 N ATOM 1498 CA SER A 96 -13.993 -14.889 5.334 1.00 0.00 C ATOM 1499 C SER A 96 -13.904 -15.934 6.443 1.00 0.00 C ATOM 1500 O SER A 96 -13.929 -15.602 7.628 1.00 0.00 O ATOM 1501 CB SER A 96 -15.371 -14.948 4.672 1.00 0.00 C ATOM 1502 OG SER A 96 -16.395 -14.618 5.594 1.00 0.00 O ATOM 0 H SER A 96 -13.244 -15.607 3.512 1.00 0.00 H new ATOM 0 HA SER A 96 -13.852 -13.902 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.402 -14.259 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.544 -15.948 4.274 1.00 0.00 H new ATOM 0 HG SER A 96 -17.265 -14.662 5.146 1.00 0.00 H new ATOM 1508 N HIS A 97 -13.800 -17.199 6.048 1.00 0.00 N ATOM 1509 CA HIS A 97 -13.707 -18.294 7.007 1.00 0.00 C ATOM 1510 C HIS A 97 -12.727 -17.954 8.126 1.00 0.00 C ATOM 1511 O HIS A 97 -13.040 -18.106 9.306 1.00 0.00 O ATOM 1512 CB HIS A 97 -13.271 -19.580 6.304 1.00 0.00 C ATOM 1513 CG HIS A 97 -14.305 -20.134 5.373 1.00 0.00 C ATOM 1514 ND1 HIS A 97 -15.626 -20.302 5.729 1.00 0.00 N ATOM 1515 CD2 HIS A 97 -14.205 -20.557 4.091 1.00 0.00 C ATOM 1516 CE1 HIS A 97 -16.295 -20.806 4.707 1.00 0.00 C ATOM 1517 NE2 HIS A 97 -15.455 -20.970 3.700 1.00 0.00 N ATOM 0 H HIS A 97 -13.778 -17.491 5.071 1.00 0.00 H new ATOM 0 HA HIS A 97 -14.693 -18.445 7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -12.356 -19.386 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -13.031 -20.332 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.309 -20.568 3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -17.349 -21.043 4.696 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -15.696 -21.343 2.782 1.00 0.00 H new ATOM 1526 N ASN A 98 -11.539 -17.494 7.746 1.00 0.00 N ATOM 1527 CA ASN A 98 -10.513 -17.134 8.718 1.00 0.00 C ATOM 1528 C ASN A 98 -10.136 -15.661 8.591 1.00 0.00 C ATOM 1529 O ASN A 98 -9.195 -15.294 7.887 1.00 0.00 O ATOM 1530 CB ASN A 98 -9.272 -18.008 8.527 1.00 0.00 C ATOM 1531 CG ASN A 98 -8.414 -18.075 9.776 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -8.597 -17.295 10.711 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -7.471 -19.009 9.796 1.00 0.00 N ATOM 0 H ASN A 98 -11.263 -17.362 6.773 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.918 -17.302 9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.580 -19.015 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.678 -17.615 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -6.862 -19.102 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.355 -19.634 8.998 1.00 0.00 H new ATOM 1540 N PRO A 99 -10.887 -14.796 9.288 1.00 0.00 N ATOM 1541 CA PRO A 99 -10.650 -13.349 9.271 1.00 0.00 C ATOM 1542 C PRO A 99 -9.363 -12.964 9.991 1.00 0.00 C ATOM 1543 O PRO A 99 -9.042 -11.782 10.121 1.00 0.00 O ATOM 1544 CB PRO A 99 -11.866 -12.782 10.008 1.00 0.00 C ATOM 1545 CG PRO A 99 -12.325 -13.891 10.891 1.00 0.00 C ATOM 1546 CD PRO A 99 -12.025 -15.163 10.148 1.00 0.00 C ATOM 0 HA PRO A 99 -10.533 -12.967 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.601 -11.898 10.588 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.648 -12.482 9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.806 -13.867 11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.391 -13.805 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -11.769 -15.975 10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.881 -15.497 9.561 1.00 0.00 H new ATOM 1554 N VAL A 100 -8.628 -13.968 10.457 1.00 0.00 N ATOM 1555 CA VAL A 100 -7.374 -13.734 11.164 1.00 0.00 C ATOM 1556 C VAL A 100 -6.235 -13.465 10.187 1.00 0.00 C ATOM 1557 O VAL A 100 -5.499 -12.487 10.328 1.00 0.00 O ATOM 1558 CB VAL A 100 -6.998 -14.934 12.054 1.00 0.00 C ATOM 1559 CG1 VAL A 100 -5.653 -14.701 12.725 1.00 0.00 C ATOM 1560 CG2 VAL A 100 -8.083 -15.188 13.089 1.00 0.00 C ATOM 0 H VAL A 100 -8.879 -14.952 10.358 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.525 -12.857 11.794 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.913 -15.820 11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.404 -15.559 13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.884 -14.571 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.705 -13.805 13.344 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.802 -16.039 13.710 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.201 -14.305 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.025 -15.403 12.584 1.00 0.00 H new ATOM 1570 N LEU A 101 -6.095 -14.337 9.195 1.00 0.00 N ATOM 1571 CA LEU A 101 -5.045 -14.193 8.192 1.00 0.00 C ATOM 1572 C LEU A 101 -5.120 -12.828 7.517 1.00 0.00 C ATOM 1573 O LEU A 101 -4.126 -12.106 7.441 1.00 0.00 O ATOM 1574 CB LEU A 101 -5.159 -15.301 7.143 1.00 0.00 C ATOM 1575 CG LEU A 101 -4.873 -16.721 7.632 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -6.110 -17.320 8.284 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -4.398 -17.596 6.482 1.00 0.00 C ATOM 0 H LEU A 101 -6.695 -15.151 9.063 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.082 -14.276 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.166 -15.278 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.472 -15.074 6.328 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.080 -16.675 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.888 -18.331 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.406 -16.706 9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.924 -17.353 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.199 -18.603 6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.169 -17.636 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.485 -17.177 6.059 1.00 0.00 H new ATOM 1589 N ALA A 102 -6.306 -12.479 7.029 1.00 0.00 N ATOM 1590 CA ALA A 102 -6.512 -11.199 6.364 1.00 0.00 C ATOM 1591 C ALA A 102 -6.221 -10.037 7.308 1.00 0.00 C ATOM 1592 O ALA A 102 -5.602 -9.048 6.918 1.00 0.00 O ATOM 1593 CB ALA A 102 -7.934 -11.104 5.830 1.00 0.00 C ATOM 0 H ALA A 102 -7.139 -13.065 7.082 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.816 -11.136 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.074 -10.143 5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.109 -11.908 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.640 -11.193 6.656 1.00 0.00 H new ATOM 1599 N ALA A 103 -6.673 -10.163 8.552 1.00 0.00 N ATOM 1600 CA ALA A 103 -6.460 -9.124 9.551 1.00 0.00 C ATOM 1601 C ALA A 103 -5.118 -8.431 9.345 1.00 0.00 C ATOM 1602 O ALA A 103 -5.009 -7.211 9.478 1.00 0.00 O ATOM 1603 CB ALA A 103 -6.542 -9.714 10.951 1.00 0.00 C ATOM 0 H ALA A 103 -7.189 -10.975 8.891 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.246 -8.377 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.381 -8.927 11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.527 -10.157 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.777 -10.482 11.068 1.00 0.00 H new ATOM 1609 N THR A 104 -4.095 -9.215 9.018 1.00 0.00 N ATOM 1610 CA THR A 104 -2.760 -8.677 8.795 1.00 0.00 C ATOM 1611 C THR A 104 -2.581 -8.231 7.348 1.00 0.00 C ATOM 1612 O THR A 104 -2.169 -7.103 7.083 1.00 0.00 O ATOM 1613 CB THR A 104 -1.672 -9.712 9.139 1.00 0.00 C ATOM 1614 OG1 THR A 104 -1.861 -10.898 8.359 1.00 0.00 O ATOM 1615 CG2 THR A 104 -1.706 -10.062 10.619 1.00 0.00 C ATOM 0 H THR A 104 -4.167 -10.226 8.902 1.00 0.00 H new ATOM 0 HA THR A 104 -2.653 -7.815 9.454 1.00 0.00 H new ATOM 0 HB THR A 104 -0.700 -9.276 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.819 -11.087 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.929 -10.794 10.838 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.533 -9.162 11.210 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.680 -10.480 10.872 1.00 0.00 H new ATOM 1623 N GLY A 105 -2.895 -9.125 6.415 1.00 0.00 N ATOM 1624 CA GLY A 105 -2.763 -8.804 5.006 1.00 0.00 C ATOM 1625 C GLY A 105 -3.068 -9.988 4.110 1.00 0.00 C ATOM 1626 O GLY A 105 -3.530 -9.819 2.982 1.00 0.00 O ATOM 0 H GLY A 105 -3.238 -10.065 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.436 -7.983 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.749 -8.455 4.809 1.00 0.00 H new ATOM 1630 N VAL A 106 -2.808 -11.191 4.613 1.00 0.00 N ATOM 1631 CA VAL A 106 -3.057 -12.408 3.851 1.00 0.00 C ATOM 1632 C VAL A 106 -4.545 -12.590 3.577 1.00 0.00 C ATOM 1633 O VAL A 106 -5.295 -13.044 4.440 1.00 0.00 O ATOM 1634 CB VAL A 106 -2.525 -13.651 4.589 1.00 0.00 C ATOM 1635 CG1 VAL A 106 -2.827 -14.913 3.795 1.00 0.00 C ATOM 1636 CG2 VAL A 106 -1.032 -13.519 4.848 1.00 0.00 C ATOM 0 H VAL A 106 -2.425 -11.348 5.545 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.527 -12.303 2.904 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.032 -13.725 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.444 -15.781 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.905 -15.013 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.349 -14.851 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.673 -14.406 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.506 -13.419 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.846 -12.637 5.461 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.967 -12.234 2.367 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.365 -12.366 2.001 1.00 0.00 C ATOM 1648 C GLY A 107 -6.815 -11.289 1.033 1.00 0.00 C ATOM 1649 O GLY A 107 -6.192 -10.231 0.937 1.00 0.00 O ATOM 0 H GLY A 107 -4.366 -11.857 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.529 -13.346 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.979 -12.321 2.901 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.898 -11.558 0.313 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.430 -10.605 -0.654 1.00 0.00 C ATOM 1655 C LEU A 108 -9.155 -9.462 0.050 1.00 0.00 C ATOM 1656 O LEU A 108 -8.791 -8.296 -0.102 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.383 -11.308 -1.622 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.144 -10.403 -2.592 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.197 -9.815 -3.627 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.268 -11.173 -3.270 1.00 0.00 C ATOM 0 H LEU A 108 -8.425 -12.429 0.381 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.593 -10.190 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.810 -12.030 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.109 -11.873 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.584 -9.583 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.756 -9.174 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.428 -9.228 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.727 -10.621 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.799 -10.513 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.850 -12.014 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.961 -11.545 -2.515 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.180 -9.805 0.822 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.954 -8.808 1.553 1.00 0.00 C ATOM 1674 C ASP A 109 -10.053 -7.687 2.061 1.00 0.00 C ATOM 1675 O ASP A 109 -10.249 -6.519 1.724 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.687 -9.461 2.726 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.673 -10.521 2.275 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.140 -10.443 1.119 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.977 -11.428 3.078 1.00 0.00 O ATOM 0 H ASP A 109 -10.494 -10.766 0.958 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.687 -8.379 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.959 -9.910 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.216 -8.694 3.292 1.00 0.00 H new ATOM 1684 N VAL A 110 -9.066 -8.049 2.874 1.00 0.00 N ATOM 1685 CA VAL A 110 -8.135 -7.073 3.429 1.00 0.00 C ATOM 1686 C VAL A 110 -7.486 -6.245 2.326 1.00 0.00 C ATOM 1687 O VAL A 110 -7.194 -5.064 2.513 1.00 0.00 O ATOM 1688 CB VAL A 110 -7.033 -7.758 4.258 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -6.210 -8.693 3.384 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -6.145 -6.718 4.924 1.00 0.00 C ATOM 0 H VAL A 110 -8.890 -9.011 3.163 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.713 -6.417 4.079 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.506 -8.353 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.436 -9.168 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.859 -9.458 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.744 -8.123 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.371 -7.219 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.679 -6.095 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.748 -6.093 5.583 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.264 -6.872 1.175 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.651 -6.191 0.041 1.00 0.00 C ATOM 1702 C ALA A 111 -7.526 -5.042 -0.447 1.00 0.00 C ATOM 1703 O ALA A 111 -7.050 -3.921 -0.628 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.393 -7.177 -1.089 1.00 0.00 C ATOM 0 H ALA A 111 -7.499 -7.850 1.004 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.699 -5.774 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.935 -6.655 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.722 -7.962 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.336 -7.620 -1.408 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.807 -5.327 -0.660 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.747 -4.316 -1.129 1.00 0.00 C ATOM 1712 C GLN A 112 -9.671 -3.061 -0.266 1.00 0.00 C ATOM 1713 O GLN A 112 -9.688 -1.942 -0.778 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.172 -4.871 -1.119 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.365 -6.068 -2.036 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.789 -6.588 -2.025 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.691 -5.950 -1.480 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.999 -7.752 -2.628 1.00 0.00 N ATOM 0 H GLN A 112 -9.217 -6.250 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.476 -4.049 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.434 -5.158 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.863 -4.082 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.092 -5.789 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.688 -6.867 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.222 -8.246 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.937 -8.152 -2.652 1.00 0.00 H new ATOM 1727 N SER A 113 -9.589 -3.255 1.046 1.00 0.00 N ATOM 1728 CA SER A 113 -9.515 -2.138 1.981 1.00 0.00 C ATOM 1729 C SER A 113 -8.306 -1.257 1.680 1.00 0.00 C ATOM 1730 O SER A 113 -8.336 -0.047 1.902 1.00 0.00 O ATOM 1731 CB SER A 113 -9.440 -2.653 3.419 1.00 0.00 C ATOM 1732 OG SER A 113 -10.688 -3.178 3.839 1.00 0.00 O ATOM 0 H SER A 113 -9.572 -4.175 1.486 1.00 0.00 H new ATOM 0 HA SER A 113 -10.418 -1.538 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.674 -3.425 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.141 -1.843 4.084 1.00 0.00 H new ATOM 0 HG SER A 113 -10.613 -3.502 4.761 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.244 -1.874 1.176 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.023 -1.147 0.845 1.00 0.00 C ATOM 1740 C TRP A 114 -6.210 -0.319 -0.422 1.00 0.00 C ATOM 1741 O TRP A 114 -5.990 0.891 -0.420 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.858 -2.121 0.665 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.169 -2.467 1.951 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.343 -3.598 2.695 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.199 -1.674 2.643 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.539 -3.556 3.809 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.827 -2.386 3.800 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.606 -0.432 2.398 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.891 -1.896 4.707 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.678 0.053 3.299 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.327 -0.678 4.441 1.00 0.00 C ATOM 0 H TRP A 114 -7.203 -2.876 0.987 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.797 -0.470 1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.227 -3.036 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.132 -1.685 -0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.014 -4.407 2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.482 -4.279 4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.869 0.138 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.620 -2.457 5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.215 1.012 3.120 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.597 -0.272 5.125 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.615 -0.980 -1.502 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.830 -0.303 -2.775 1.00 0.00 C ATOM 1764 C GLU A 115 -7.770 0.887 -2.607 1.00 0.00 C ATOM 1765 O GLU A 115 -7.439 2.013 -2.980 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.403 -1.278 -3.806 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.834 -0.610 -5.101 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.854 -1.429 -5.869 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.725 -2.047 -5.222 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.781 -1.452 -7.115 1.00 0.00 O ATOM 0 H GLU A 115 -6.801 -1.983 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.867 0.064 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.654 -2.038 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.259 -1.793 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.255 0.370 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.959 -0.445 -5.729 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.945 0.630 -2.042 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.935 1.678 -1.823 1.00 0.00 C ATOM 1779 C LYS A 116 -9.333 2.839 -1.037 1.00 0.00 C ATOM 1780 O LYS A 116 -9.487 4.000 -1.413 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.146 1.116 -1.075 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.226 0.567 -1.992 1.00 0.00 C ATOM 1783 CD LYS A 116 -11.699 -0.562 -2.861 1.00 0.00 C ATOM 1784 CE LYS A 116 -12.796 -1.151 -3.735 1.00 0.00 C ATOM 1785 NZ LYS A 116 -12.326 -2.350 -4.483 1.00 0.00 N ATOM 0 H LYS A 116 -9.235 -0.296 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.257 2.049 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.813 0.324 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.574 1.901 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.063 0.207 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.608 1.367 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.890 -0.191 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -11.277 -1.343 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.649 -1.422 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.143 -0.396 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -13.047 -2.631 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.439 -2.125 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -12.163 -3.133 -3.818 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.647 2.516 0.054 1.00 0.00 N ATOM 1800 CA ALA A 117 -8.019 3.532 0.890 1.00 0.00 C ATOM 1801 C ALA A 117 -6.942 4.288 0.120 1.00 0.00 C ATOM 1802 O ALA A 117 -7.103 5.467 -0.195 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.429 2.896 2.140 1.00 0.00 C ATOM 0 H ALA A 117 -8.512 1.559 0.380 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.786 4.247 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.963 3.666 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.221 2.408 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.680 2.158 1.854 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.844 3.602 -0.180 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.741 4.209 -0.914 1.00 0.00 C ATOM 1811 C ILE A 118 -5.253 5.194 -1.960 1.00 0.00 C ATOM 1812 O ILE A 118 -4.790 6.333 -2.034 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.874 3.144 -1.610 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.215 2.233 -0.572 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.820 3.808 -2.485 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.583 0.995 -1.169 1.00 0.00 C ATOM 0 H ILE A 118 -5.695 2.625 0.074 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.131 4.741 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.515 2.534 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.452 2.798 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.962 1.932 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.215 3.042 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.309 4.419 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.180 4.439 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.135 0.396 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.346 0.408 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.812 1.288 -1.882 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.212 4.749 -2.765 1.00 0.00 N ATOM 1829 CA ARG A 119 -6.788 5.592 -3.806 1.00 0.00 C ATOM 1830 C ARG A 119 -7.559 6.759 -3.196 1.00 0.00 C ATOM 1831 O ARG A 119 -7.347 7.914 -3.563 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.713 4.769 -4.704 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.477 5.604 -5.719 1.00 0.00 C ATOM 1834 CD ARG A 119 -8.791 4.805 -6.974 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.947 5.339 -7.688 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.377 4.864 -8.852 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -9.749 3.848 -9.429 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -11.436 5.404 -9.440 1.00 0.00 N ATOM 0 H ARG A 119 -6.607 3.810 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.972 5.993 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.122 4.021 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.425 4.229 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.405 5.962 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.890 6.484 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.923 4.810 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.980 3.766 -6.704 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.453 6.120 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.935 3.430 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.081 3.485 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.921 6.185 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.765 5.038 -10.334 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.455 6.447 -2.265 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.259 7.470 -1.606 1.00 0.00 C ATOM 1854 C GLN A 120 -8.402 8.673 -1.224 1.00 0.00 C ATOM 1855 O GLN A 120 -8.769 9.817 -1.489 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.934 6.894 -0.361 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.096 7.733 0.145 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.592 7.285 1.506 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.705 6.775 1.637 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -10.766 7.474 2.528 1.00 0.00 N ATOM 0 H GLN A 120 -8.642 5.495 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.026 7.801 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.293 5.889 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.193 6.799 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.788 8.777 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.916 7.680 -0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.852 7.901 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.045 7.193 3.468 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.260 8.405 -0.599 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.351 9.466 -0.182 1.00 0.00 C ATOM 1871 C ALA A 121 -6.143 10.482 -1.300 1.00 0.00 C ATOM 1872 O ALA A 121 -6.130 11.690 -1.060 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.017 8.876 0.253 1.00 0.00 C ATOM 0 H ALA A 121 -6.942 7.463 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.801 9.985 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.348 9.679 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.176 8.194 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.571 8.332 -0.580 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.982 9.986 -2.521 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.774 10.851 -3.677 1.00 0.00 C ATOM 1881 C LEU A 122 -6.778 11.999 -3.686 1.00 0.00 C ATOM 1882 O LEU A 122 -6.398 13.169 -3.657 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.894 10.044 -4.971 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.988 8.818 -5.084 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.097 8.198 -6.468 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.545 9.190 -4.777 1.00 0.00 C ATOM 0 H LEU A 122 -5.991 8.989 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.770 11.271 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.928 9.717 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.681 10.707 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.316 8.081 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.445 7.327 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.128 7.893 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.797 8.929 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.915 8.305 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.206 9.946 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.479 9.586 -3.764 1.00 0.00 H new ATOM 1898 N MET A 123 -8.061 11.656 -3.723 1.00 0.00 N ATOM 1899 CA MET A 123 -9.120 12.658 -3.731 1.00 0.00 C ATOM 1900 C MET A 123 -9.114 13.466 -2.437 1.00 0.00 C ATOM 1901 O MET A 123 -9.166 14.696 -2.462 1.00 0.00 O ATOM 1902 CB MET A 123 -10.483 11.990 -3.922 1.00 0.00 C ATOM 1903 CG MET A 123 -10.575 11.148 -5.184 1.00 0.00 C ATOM 1904 SD MET A 123 -12.277 10.874 -5.715 1.00 0.00 S ATOM 1905 CE MET A 123 -12.156 9.225 -6.404 1.00 0.00 C ATOM 0 H MET A 123 -8.393 10.692 -3.748 1.00 0.00 H new ATOM 0 HA MET A 123 -8.936 13.337 -4.564 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.694 11.360 -3.058 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.255 12.759 -3.951 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.023 11.640 -5.985 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.094 10.186 -5.010 1.00 0.00 H new ATOM 0 HE1 MET A 123 -13.132 8.913 -6.776 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.438 9.225 -7.224 1.00 0.00 H new ATOM 0 HE3 MET A 123 -11.824 8.531 -5.632 1.00 0.00 H new ATOM 1915 N SER A 124 -9.051 12.767 -1.308 1.00 0.00 N ATOM 1916 CA SER A 124 -9.042 13.420 -0.004 1.00 0.00 C ATOM 1917 C SER A 124 -7.795 14.282 0.164 1.00 0.00 C ATOM 1918 O SER A 124 -6.731 13.788 0.536 1.00 0.00 O ATOM 1919 CB SER A 124 -9.109 12.376 1.112 1.00 0.00 C ATOM 1920 OG SER A 124 -9.328 12.989 2.371 1.00 0.00 O ATOM 0 H SER A 124 -9.005 11.749 -1.270 1.00 0.00 H new ATOM 0 HA SER A 124 -9.918 14.065 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.911 11.668 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.180 11.807 1.138 1.00 0.00 H new ATOM 0 HG SER A 124 -9.368 12.301 3.067 1.00 0.00 H new ATOM 1926 N GLY A 125 -7.935 15.574 -0.114 1.00 0.00 N ATOM 1927 CA GLY A 125 -6.812 16.486 0.011 1.00 0.00 C ATOM 1928 C GLY A 125 -7.241 17.939 -0.002 1.00 0.00 C ATOM 1929 O GLY A 125 -8.322 18.285 -0.479 1.00 0.00 O ATOM 0 H GLY A 125 -8.806 16.006 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -6.279 16.276 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -6.112 16.310 -0.806 1.00 0.00 H new ATOM 1933 N PRO A 126 -6.382 18.819 0.533 1.00 0.00 N ATOM 1934 CA PRO A 126 -6.657 20.258 0.594 1.00 0.00 C ATOM 1935 C PRO A 126 -6.623 20.913 -0.783 1.00 0.00 C ATOM 1936 O PRO A 126 -7.184 21.990 -0.982 1.00 0.00 O ATOM 1937 CB PRO A 126 -5.525 20.798 1.472 1.00 0.00 C ATOM 1938 CG PRO A 126 -4.417 19.816 1.309 1.00 0.00 C ATOM 1939 CD PRO A 126 -5.075 18.477 1.120 1.00 0.00 C ATOM 0 HA PRO A 126 -7.653 20.467 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -5.220 21.795 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -5.835 20.876 2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -3.794 20.069 0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -3.767 19.812 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -4.494 17.833 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -5.186 17.947 2.066 1.00 0.00 H new ATOM 1947 N SER A 127 -5.960 20.256 -1.730 1.00 0.00 N ATOM 1948 CA SER A 127 -5.850 20.777 -3.087 1.00 0.00 C ATOM 1949 C SER A 127 -6.592 19.880 -4.075 1.00 0.00 C ATOM 1950 O SER A 127 -7.517 20.321 -4.756 1.00 0.00 O ATOM 1951 CB SER A 127 -4.380 20.895 -3.493 1.00 0.00 C ATOM 1952 OG SER A 127 -3.704 21.847 -2.689 1.00 0.00 O ATOM 0 H SER A 127 -5.491 19.362 -1.582 1.00 0.00 H new ATOM 0 HA SER A 127 -6.306 21.767 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 127 -3.894 19.924 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.311 21.185 -4.541 1.00 0.00 H new ATOM 0 HG SER A 127 -2.766 21.903 -2.967 1.00 0.00 H new ATOM 1958 N SER A 128 -6.178 18.619 -4.146 1.00 0.00 N ATOM 1959 CA SER A 128 -6.799 17.661 -5.052 1.00 0.00 C ATOM 1960 C SER A 128 -8.125 17.161 -4.488 1.00 0.00 C ATOM 1961 O SER A 128 -8.268 16.971 -3.281 1.00 0.00 O ATOM 1962 CB SER A 128 -5.859 16.479 -5.300 1.00 0.00 C ATOM 1963 OG SER A 128 -6.202 15.797 -6.494 1.00 0.00 O ATOM 0 H SER A 128 -5.415 18.237 -3.587 1.00 0.00 H new ATOM 0 HA SER A 128 -6.994 18.166 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.831 16.835 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.906 15.790 -4.457 1.00 0.00 H new ATOM 0 HG SER A 128 -5.586 15.047 -6.631 1.00 0.00 H new ATOM 1969 N GLY A 129 -9.095 16.949 -5.373 1.00 0.00 N ATOM 1970 CA GLY A 129 -10.398 16.474 -4.946 1.00 0.00 C ATOM 1971 C GLY A 129 -10.984 15.452 -5.900 1.00 0.00 C ATOM 1972 O GLY A 129 -10.272 14.580 -6.399 1.00 0.00 O ATOM 0 H GLY A 129 -9.001 17.098 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.313 16.033 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.080 17.320 -4.861 1.00 0.00 H new TER 1976 GLY A 129