USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 54 HIS : no HE2:sc= -0.367 K(o=-0.011,f=-3!) USER MOD Set 1.2: A 58 THR OG1 : rot 67:sc= 0.355 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 46 THR OG1 : rot 88:sc= 1.23 USER MOD Set 3.1: A 23 GLN : amide:sc= -1.28 X(o=-2.1,f=-2) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.857 K(o=-2.1,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00328 (180deg=-0.126) USER MOD Single : A 2 THR OG1 : rot -36:sc= 0.488 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.89) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.785 K(o=0.78,f=-4.6!) USER MOD Single : A 18 MET CE :methyl -156:sc= -0.172 (180deg=-0.893) USER MOD Single : A 22 SER OG : rot -27:sc= 0.223 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 9:sc= 0.173 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 81:sc= 1.2 USER MOD Single : A 35 SER OG : rot 96:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.176) USER MOD Single : A 42 CYS SG : rot -21:sc=-0.00632 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 67 THR OG1 : rot 28:sc= 0.777 USER MOD Single : A 71 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.2!) USER MOD Single : A 74 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.452) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0462 F(o=-1.9!,f=-0.046) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.0714 K(o=0.071,f=-5.3!) USER MOD Single : A 94 SER OG : rot 33:sc= 0.413 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.599 -25.016 14.932 1.00 0.00 N ATOM 2 CA MET A 1 8.052 -24.019 13.938 1.00 0.00 C ATOM 3 C MET A 1 8.649 -22.809 14.641 1.00 0.00 C ATOM 4 O MET A 1 7.954 -21.830 14.907 1.00 0.00 O ATOM 5 CB MET A 1 6.894 -23.579 13.040 1.00 0.00 C ATOM 6 CG MET A 1 6.358 -24.682 12.141 1.00 0.00 C ATOM 7 SD MET A 1 4.934 -24.155 11.168 1.00 0.00 S ATOM 8 CE MET A 1 4.677 -25.605 10.153 1.00 0.00 C ATOM 0 H1 MET A 1 7.368 -25.907 14.449 1.00 0.00 H new ATOM 0 H2 MET A 1 8.356 -25.184 15.625 1.00 0.00 H new ATOM 0 H3 MET A 1 6.754 -24.658 15.422 1.00 0.00 H new ATOM 0 HA MET A 1 8.816 -24.484 13.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.083 -23.207 13.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.225 -22.746 12.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.149 -25.014 11.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.078 -25.540 12.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.827 -25.440 9.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.570 -25.795 9.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.478 -26.465 10.792 1.00 0.00 H new ATOM 20 N THR A 2 9.927 -22.889 14.966 1.00 0.00 N ATOM 21 CA THR A 2 10.597 -21.799 15.659 1.00 0.00 C ATOM 22 C THR A 2 11.825 -21.330 14.883 1.00 0.00 C ATOM 23 O THR A 2 12.490 -20.367 15.272 1.00 0.00 O ATOM 24 CB THR A 2 11.003 -22.213 17.096 1.00 0.00 C ATOM 25 OG1 THR A 2 11.531 -21.085 17.811 1.00 0.00 O ATOM 26 CG2 THR A 2 12.036 -23.335 17.075 1.00 0.00 C ATOM 0 H THR A 2 10.521 -23.693 14.763 1.00 0.00 H new ATOM 0 HA THR A 2 9.890 -20.972 15.726 1.00 0.00 H new ATOM 0 HB THR A 2 10.108 -22.575 17.602 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.040 -20.517 17.196 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.302 -23.604 18.097 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.618 -24.205 16.568 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.927 -22.999 16.545 1.00 0.00 H new ATOM 34 N LYS A 3 12.121 -22.003 13.780 1.00 0.00 N ATOM 35 CA LYS A 3 13.270 -21.642 12.966 1.00 0.00 C ATOM 36 C LYS A 3 12.815 -21.008 11.657 1.00 0.00 C ATOM 37 O LYS A 3 11.733 -21.318 11.161 1.00 0.00 O ATOM 38 CB LYS A 3 14.151 -22.869 12.710 1.00 0.00 C ATOM 39 CG LYS A 3 13.464 -23.985 11.940 1.00 0.00 C ATOM 40 CD LYS A 3 14.241 -25.285 12.049 1.00 0.00 C ATOM 41 CE LYS A 3 15.691 -25.116 11.618 1.00 0.00 C ATOM 42 NZ LYS A 3 16.523 -26.281 12.013 1.00 0.00 N ATOM 0 H LYS A 3 11.584 -22.797 13.431 1.00 0.00 H new ATOM 0 HA LYS A 3 13.866 -20.907 13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.038 -22.556 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.493 -23.262 13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.454 -24.128 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.368 -23.702 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.207 -25.643 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.765 -26.046 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.736 -24.987 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.100 -24.209 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.504 -26.129 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.500 -26.389 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.148 -27.142 11.567 1.00 0.00 H new ATOM 56 N ASN A 4 13.648 -20.102 11.132 1.00 0.00 N ATOM 57 CA ASN A 4 13.345 -19.323 9.920 1.00 0.00 C ATOM 58 C ASN A 4 12.362 -18.193 10.250 1.00 0.00 C ATOM 59 O ASN A 4 11.990 -17.395 9.390 1.00 0.00 O ATOM 60 CB ASN A 4 12.795 -20.209 8.788 1.00 0.00 C ATOM 61 CG ASN A 4 12.728 -19.481 7.459 1.00 0.00 C ATOM 62 OD1 ASN A 4 13.577 -18.646 7.152 1.00 0.00 O ATOM 63 ND2 ASN A 4 11.704 -19.774 6.674 1.00 0.00 N ATOM 0 H ASN A 4 14.559 -19.885 11.537 1.00 0.00 H new ATOM 0 HA ASN A 4 14.279 -18.889 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.426 -21.092 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.798 -20.559 9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.597 -19.301 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.021 -20.473 6.966 1.00 0.00 H new ATOM 70 N THR A 5 11.962 -18.123 11.511 1.00 0.00 N ATOM 71 CA THR A 5 11.097 -17.057 11.989 1.00 0.00 C ATOM 72 C THR A 5 11.912 -15.778 12.175 1.00 0.00 C ATOM 73 O THR A 5 11.399 -14.665 12.034 1.00 0.00 O ATOM 74 CB THR A 5 10.434 -17.459 13.319 1.00 0.00 C ATOM 75 OG1 THR A 5 10.026 -18.834 13.259 1.00 0.00 O ATOM 76 CG2 THR A 5 9.219 -16.590 13.607 1.00 0.00 C ATOM 0 H THR A 5 12.226 -18.800 12.227 1.00 0.00 H new ATOM 0 HA THR A 5 10.314 -16.880 11.252 1.00 0.00 H new ATOM 0 HB THR A 5 11.162 -17.319 14.118 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.606 -19.088 14.107 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.769 -16.895 14.552 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.525 -15.546 13.671 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.490 -16.706 12.805 1.00 0.00 H new ATOM 84 N ARG A 6 13.191 -15.970 12.496 1.00 0.00 N ATOM 85 CA ARG A 6 14.172 -14.889 12.579 1.00 0.00 C ATOM 86 C ARG A 6 13.783 -13.834 13.614 1.00 0.00 C ATOM 87 O ARG A 6 13.814 -14.091 14.817 1.00 0.00 O ATOM 88 CB ARG A 6 14.387 -14.241 11.206 1.00 0.00 C ATOM 89 CG ARG A 6 14.838 -15.221 10.133 1.00 0.00 C ATOM 90 CD ARG A 6 16.131 -15.923 10.527 1.00 0.00 C ATOM 91 NE ARG A 6 16.512 -16.951 9.559 1.00 0.00 N ATOM 92 CZ ARG A 6 17.386 -17.922 9.807 1.00 0.00 C ATOM 93 NH1 ARG A 6 18.022 -17.974 10.969 1.00 0.00 N ATOM 94 NH2 ARG A 6 17.631 -18.831 8.877 1.00 0.00 N ATOM 0 H ARG A 6 13.579 -16.889 12.708 1.00 0.00 H new ATOM 0 HA ARG A 6 15.110 -15.335 12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.458 -13.769 10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 6 15.131 -13.450 11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.057 -15.962 9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.983 -14.691 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.932 -15.188 10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.012 -16.377 11.511 1.00 0.00 H new ATOM 0 HE ARG A 6 16.080 -16.921 8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.842 -17.266 11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.691 -18.722 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.151 -18.783 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.300 -19.579 9.059 1.00 0.00 H new ATOM 108 N PHE A 7 13.407 -12.651 13.140 1.00 0.00 N ATOM 109 CA PHE A 7 13.113 -11.528 14.020 1.00 0.00 C ATOM 110 C PHE A 7 11.880 -10.784 13.527 1.00 0.00 C ATOM 111 O PHE A 7 11.482 -10.934 12.373 1.00 0.00 O ATOM 112 CB PHE A 7 14.303 -10.558 14.084 1.00 0.00 C ATOM 113 CG PHE A 7 15.579 -11.182 14.573 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.852 -11.262 15.930 1.00 0.00 C ATOM 115 CD2 PHE A 7 16.509 -11.686 13.676 1.00 0.00 C ATOM 116 CE1 PHE A 7 17.026 -11.832 16.381 1.00 0.00 C ATOM 117 CE2 PHE A 7 17.684 -12.257 14.122 1.00 0.00 C ATOM 118 CZ PHE A 7 17.943 -12.330 15.475 1.00 0.00 C ATOM 0 H PHE A 7 13.299 -12.446 12.147 1.00 0.00 H new ATOM 0 HA PHE A 7 12.926 -11.922 15.019 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.472 -10.142 13.091 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.044 -9.726 14.739 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.139 -10.874 16.642 1.00 0.00 H new ATOM 0 HD2 PHE A 7 16.312 -11.631 12.616 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.227 -11.889 17.441 1.00 0.00 H new ATOM 0 HE2 PHE A 7 18.399 -12.646 13.413 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.862 -12.776 15.826 1.00 0.00 H new ATOM 128 N SER A 8 11.285 -9.990 14.404 1.00 0.00 N ATOM 129 CA SER A 8 10.128 -9.185 14.047 1.00 0.00 C ATOM 130 C SER A 8 10.558 -8.000 13.179 1.00 0.00 C ATOM 131 O SER A 8 11.557 -7.336 13.478 1.00 0.00 O ATOM 132 CB SER A 8 9.422 -8.686 15.314 1.00 0.00 C ATOM 133 OG SER A 8 8.259 -7.938 14.997 1.00 0.00 O ATOM 0 H SER A 8 11.587 -9.886 15.373 1.00 0.00 H new ATOM 0 HA SER A 8 9.432 -9.801 13.478 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.151 -9.536 15.940 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.107 -8.068 15.895 1.00 0.00 H new ATOM 0 HG SER A 8 7.830 -7.635 15.824 1.00 0.00 H new ATOM 139 N PRO A 9 9.816 -7.726 12.090 1.00 0.00 N ATOM 140 CA PRO A 9 10.127 -6.632 11.160 1.00 0.00 C ATOM 141 C PRO A 9 10.216 -5.283 11.868 1.00 0.00 C ATOM 142 O PRO A 9 11.091 -4.471 11.566 1.00 0.00 O ATOM 143 CB PRO A 9 8.956 -6.646 10.164 1.00 0.00 C ATOM 144 CG PRO A 9 7.897 -7.479 10.808 1.00 0.00 C ATOM 145 CD PRO A 9 8.618 -8.468 11.674 1.00 0.00 C ATOM 0 HA PRO A 9 11.098 -6.770 10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.596 -5.636 9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.260 -7.069 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.221 -6.862 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.290 -7.987 10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.014 -8.773 12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.874 -9.374 11.125 1.00 0.00 H new ATOM 153 N GLU A 10 9.325 -5.066 12.832 1.00 0.00 N ATOM 154 CA GLU A 10 9.306 -3.830 13.602 1.00 0.00 C ATOM 155 C GLU A 10 10.613 -3.653 14.370 1.00 0.00 C ATOM 156 O GLU A 10 11.226 -2.585 14.346 1.00 0.00 O ATOM 157 CB GLU A 10 8.122 -3.834 14.572 1.00 0.00 C ATOM 158 CG GLU A 10 6.770 -3.865 13.881 1.00 0.00 C ATOM 159 CD GLU A 10 5.620 -3.972 14.861 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.480 -3.079 15.723 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.845 -4.948 14.771 1.00 0.00 O ATOM 0 H GLU A 10 8.603 -5.736 13.098 1.00 0.00 H new ATOM 0 HA GLU A 10 9.197 -2.994 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.205 -4.700 15.229 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.178 -2.947 15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.651 -2.962 13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.737 -4.710 13.193 1.00 0.00 H new ATOM 168 N VAL A 11 11.047 -4.721 15.030 1.00 0.00 N ATOM 169 CA VAL A 11 12.288 -4.699 15.793 1.00 0.00 C ATOM 170 C VAL A 11 13.480 -4.513 14.857 1.00 0.00 C ATOM 171 O VAL A 11 14.435 -3.807 15.183 1.00 0.00 O ATOM 172 CB VAL A 11 12.471 -5.995 16.611 1.00 0.00 C ATOM 173 CG1 VAL A 11 13.734 -5.937 17.451 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.262 -6.244 17.498 1.00 0.00 C ATOM 0 H VAL A 11 10.556 -5.615 15.051 1.00 0.00 H new ATOM 0 HA VAL A 11 12.234 -3.860 16.487 1.00 0.00 H new ATOM 0 HB VAL A 11 12.566 -6.822 15.908 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.838 -6.863 18.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.599 -5.811 16.800 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.674 -5.095 18.141 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.411 -7.162 18.066 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.137 -5.408 18.186 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.370 -6.341 16.879 1.00 0.00 H new ATOM 184 N ARG A 12 13.396 -5.135 13.688 1.00 0.00 N ATOM 185 CA ARG A 12 14.436 -5.025 12.674 1.00 0.00 C ATOM 186 C ARG A 12 14.649 -3.567 12.281 1.00 0.00 C ATOM 187 O ARG A 12 15.774 -3.062 12.307 1.00 0.00 O ATOM 188 CB ARG A 12 14.052 -5.838 11.439 1.00 0.00 C ATOM 189 CG ARG A 12 15.150 -5.907 10.396 1.00 0.00 C ATOM 190 CD ARG A 12 14.657 -6.513 9.095 1.00 0.00 C ATOM 191 NE ARG A 12 13.803 -5.587 8.351 1.00 0.00 N ATOM 192 CZ ARG A 12 13.076 -5.933 7.291 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.006 -7.203 6.911 1.00 0.00 N ATOM 194 NH2 ARG A 12 12.406 -5.011 6.618 1.00 0.00 N ATOM 0 H ARG A 12 12.610 -5.726 13.417 1.00 0.00 H new ATOM 0 HA ARG A 12 15.364 -5.417 13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.790 -6.850 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.161 -5.401 10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.535 -4.905 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.980 -6.500 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.511 -6.794 8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.103 -7.427 9.307 1.00 0.00 H new ATOM 0 HE ARG A 12 13.762 -4.617 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.511 -7.920 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.447 -7.462 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.447 -4.035 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.849 -5.276 5.806 1.00 0.00 H new ATOM 208 N GLN A 13 13.556 -2.894 11.934 1.00 0.00 N ATOM 209 CA GLN A 13 13.611 -1.495 11.527 1.00 0.00 C ATOM 210 C GLN A 13 14.166 -0.632 12.654 1.00 0.00 C ATOM 211 O GLN A 13 14.988 0.253 12.423 1.00 0.00 O ATOM 212 CB GLN A 13 12.221 -0.991 11.123 1.00 0.00 C ATOM 213 CG GLN A 13 11.559 -1.807 10.020 1.00 0.00 C ATOM 214 CD GLN A 13 12.395 -1.889 8.759 1.00 0.00 C ATOM 215 OE1 GLN A 13 13.200 -2.808 8.588 1.00 0.00 O ATOM 216 NE2 GLN A 13 12.211 -0.930 7.867 1.00 0.00 N ATOM 0 H GLN A 13 12.619 -3.297 11.927 1.00 0.00 H new ATOM 0 HA GLN A 13 14.274 -1.421 10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.575 -0.996 12.001 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.304 0.045 10.794 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.366 -2.815 10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.592 -1.365 9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.535 -0.188 8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.745 -0.932 6.998 1.00 0.00 H new ATOM 225 N ARG A 14 13.722 -0.912 13.876 1.00 0.00 N ATOM 226 CA ARG A 14 14.178 -0.175 15.052 1.00 0.00 C ATOM 227 C ARG A 14 15.684 -0.315 15.241 1.00 0.00 C ATOM 228 O ARG A 14 16.366 0.660 15.555 1.00 0.00 O ATOM 229 CB ARG A 14 13.457 -0.657 16.311 1.00 0.00 C ATOM 230 CG ARG A 14 11.991 -0.263 16.366 1.00 0.00 C ATOM 231 CD ARG A 14 11.323 -0.776 17.632 1.00 0.00 C ATOM 232 NE ARG A 14 9.930 -0.342 17.729 1.00 0.00 N ATOM 233 CZ ARG A 14 9.056 -0.825 18.607 1.00 0.00 C ATOM 234 NH1 ARG A 14 9.425 -1.760 19.477 1.00 0.00 N ATOM 235 NH2 ARG A 14 7.811 -0.368 18.617 1.00 0.00 N ATOM 0 H ARG A 14 13.044 -1.647 14.079 1.00 0.00 H new ATOM 0 HA ARG A 14 13.942 0.876 14.888 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.534 -1.743 16.370 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.965 -0.253 17.187 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.903 0.823 16.321 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.473 -0.661 15.493 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.366 -1.865 17.649 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.875 -0.422 18.503 1.00 0.00 H new ATOM 0 HE ARG A 14 9.608 0.377 17.082 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.383 -2.111 19.473 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.750 -2.127 20.148 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.527 0.352 17.953 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.138 -0.736 19.289 1.00 0.00 H new ATOM 249 N ALA A 15 16.193 -1.526 15.046 1.00 0.00 N ATOM 250 CA ALA A 15 17.614 -1.801 15.213 1.00 0.00 C ATOM 251 C ALA A 15 18.454 -0.990 14.233 1.00 0.00 C ATOM 252 O ALA A 15 19.408 -0.320 14.629 1.00 0.00 O ATOM 253 CB ALA A 15 17.890 -3.288 15.049 1.00 0.00 C ATOM 0 H ALA A 15 15.639 -2.337 14.771 1.00 0.00 H new ATOM 0 HA ALA A 15 17.897 -1.502 16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.956 -3.476 15.177 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.330 -3.847 15.799 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.582 -3.608 14.054 1.00 0.00 H new ATOM 259 N VAL A 16 18.083 -1.035 12.961 1.00 0.00 N ATOM 260 CA VAL A 16 18.800 -0.290 11.930 1.00 0.00 C ATOM 261 C VAL A 16 18.667 1.212 12.171 1.00 0.00 C ATOM 262 O VAL A 16 19.604 1.980 11.947 1.00 0.00 O ATOM 263 CB VAL A 16 18.282 -0.624 10.514 1.00 0.00 C ATOM 264 CG1 VAL A 16 19.165 0.019 9.457 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.206 -2.127 10.306 1.00 0.00 C ATOM 0 H VAL A 16 17.291 -1.578 12.616 1.00 0.00 H new ATOM 0 HA VAL A 16 19.848 -0.585 11.991 1.00 0.00 H new ATOM 0 HB VAL A 16 17.275 -0.217 10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.784 -0.228 8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.161 1.101 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.184 -0.355 9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.839 -2.337 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.198 -2.562 10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.527 -2.562 11.039 1.00 0.00 H new ATOM 275 N ARG A 17 17.492 1.616 12.640 1.00 0.00 N ATOM 276 CA ARG A 17 17.221 3.010 12.965 1.00 0.00 C ATOM 277 C ARG A 17 18.147 3.475 14.087 1.00 0.00 C ATOM 278 O ARG A 17 18.649 4.599 14.070 1.00 0.00 O ATOM 279 CB ARG A 17 15.753 3.156 13.370 1.00 0.00 C ATOM 280 CG ARG A 17 15.292 4.584 13.596 1.00 0.00 C ATOM 281 CD ARG A 17 13.794 4.619 13.843 1.00 0.00 C ATOM 282 NE ARG A 17 13.297 5.968 14.088 1.00 0.00 N ATOM 283 CZ ARG A 17 12.111 6.404 13.677 1.00 0.00 C ATOM 284 NH1 ARG A 17 11.330 5.628 12.936 1.00 0.00 N ATOM 285 NH2 ARG A 17 11.717 7.627 13.992 1.00 0.00 N ATOM 0 H ARG A 17 16.704 0.989 12.805 1.00 0.00 H new ATOM 0 HA ARG A 17 17.409 3.636 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.131 2.707 12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.585 2.586 14.284 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.819 5.013 14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.539 5.195 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.278 4.197 12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.556 3.987 14.699 1.00 0.00 H new ATOM 0 HE ARG A 17 13.894 6.614 14.604 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.639 4.691 12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.421 5.969 12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.323 8.231 14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.807 7.966 13.679 1.00 0.00 H new ATOM 299 N MET A 18 18.385 2.589 15.050 1.00 0.00 N ATOM 300 CA MET A 18 19.329 2.864 16.127 1.00 0.00 C ATOM 301 C MET A 18 20.734 3.040 15.564 1.00 0.00 C ATOM 302 O MET A 18 21.470 3.940 15.971 1.00 0.00 O ATOM 303 CB MET A 18 19.328 1.732 17.160 1.00 0.00 C ATOM 304 CG MET A 18 18.031 1.607 17.946 1.00 0.00 C ATOM 305 SD MET A 18 17.741 3.008 19.042 1.00 0.00 S ATOM 306 CE MET A 18 19.152 2.862 20.136 1.00 0.00 C ATOM 0 H MET A 18 17.937 1.675 15.106 1.00 0.00 H new ATOM 0 HA MET A 18 19.018 3.785 16.619 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.523 0.789 16.649 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.149 1.892 17.859 1.00 0.00 H new ATOM 0 HG2 MET A 18 17.197 1.517 17.250 1.00 0.00 H new ATOM 0 HG3 MET A 18 18.055 0.690 18.535 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.926 3.343 21.088 1.00 0.00 H new ATOM 0 HE2 MET A 18 19.373 1.808 20.306 1.00 0.00 H new ATOM 0 HE3 MET A 18 20.016 3.346 19.681 1.00 0.00 H new ATOM 316 N VAL A 19 21.093 2.172 14.622 1.00 0.00 N ATOM 317 CA VAL A 19 22.388 2.246 13.957 1.00 0.00 C ATOM 318 C VAL A 19 22.559 3.593 13.264 1.00 0.00 C ATOM 319 O VAL A 19 23.577 4.253 13.430 1.00 0.00 O ATOM 320 CB VAL A 19 22.565 1.115 12.916 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.900 1.234 12.199 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.439 -0.247 13.577 1.00 0.00 C ATOM 0 H VAL A 19 20.501 1.406 14.302 1.00 0.00 H new ATOM 0 HA VAL A 19 23.149 2.129 14.729 1.00 0.00 H new ATOM 0 HB VAL A 19 21.772 1.217 12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.997 0.426 11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.952 2.193 11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.710 1.168 12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.567 -1.028 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.206 -0.351 14.344 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.454 -0.340 14.034 1.00 0.00 H new ATOM 332 N LEU A 20 21.548 4.004 12.507 1.00 0.00 N ATOM 333 CA LEU A 20 21.605 5.264 11.777 1.00 0.00 C ATOM 334 C LEU A 20 21.702 6.447 12.734 1.00 0.00 C ATOM 335 O LEU A 20 22.521 7.346 12.539 1.00 0.00 O ATOM 336 CB LEU A 20 20.379 5.416 10.877 1.00 0.00 C ATOM 337 CG LEU A 20 20.241 4.350 9.788 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.978 4.579 8.972 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.467 4.343 8.882 1.00 0.00 C ATOM 0 H LEU A 20 20.680 3.483 12.383 1.00 0.00 H new ATOM 0 HA LEU A 20 22.500 5.252 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.485 5.396 11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.415 6.397 10.402 1.00 0.00 H new ATOM 0 HG LEU A 20 20.167 3.376 10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.898 3.811 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.108 4.529 9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.022 5.561 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.348 3.578 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.575 5.319 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.356 4.128 9.475 1.00 0.00 H new ATOM 351 N GLU A 21 20.874 6.432 13.777 1.00 0.00 N ATOM 352 CA GLU A 21 20.885 7.489 14.782 1.00 0.00 C ATOM 353 C GLU A 21 22.270 7.607 15.410 1.00 0.00 C ATOM 354 O GLU A 21 22.823 8.703 15.522 1.00 0.00 O ATOM 355 CB GLU A 21 19.843 7.213 15.870 1.00 0.00 C ATOM 356 CG GLU A 21 19.717 8.336 16.887 1.00 0.00 C ATOM 357 CD GLU A 21 18.751 8.005 18.007 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.525 8.038 17.772 1.00 0.00 O ATOM 359 OE2 GLU A 21 19.212 7.724 19.135 1.00 0.00 O ATOM 0 H GLU A 21 20.187 5.698 13.947 1.00 0.00 H new ATOM 0 HA GLU A 21 20.635 8.429 14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.873 7.048 15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.106 6.291 16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.699 8.549 17.310 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.384 9.243 16.382 1.00 0.00 H new ATOM 366 N SER A 22 22.829 6.468 15.799 1.00 0.00 N ATOM 367 CA SER A 22 24.153 6.422 16.400 1.00 0.00 C ATOM 368 C SER A 22 25.212 6.852 15.383 1.00 0.00 C ATOM 369 O SER A 22 26.127 7.611 15.704 1.00 0.00 O ATOM 370 CB SER A 22 24.436 5.003 16.908 1.00 0.00 C ATOM 371 OG SER A 22 25.574 4.968 17.752 1.00 0.00 O ATOM 0 H SER A 22 22.380 5.557 15.707 1.00 0.00 H new ATOM 0 HA SER A 22 24.191 7.113 17.242 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.568 4.631 17.452 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.591 4.336 16.060 1.00 0.00 H new ATOM 0 HG SER A 22 26.179 5.703 17.517 1.00 0.00 H new ATOM 377 N GLN A 23 25.053 6.393 14.143 1.00 0.00 N ATOM 378 CA GLN A 23 25.991 6.702 13.064 1.00 0.00 C ATOM 379 C GLN A 23 25.963 8.195 12.730 1.00 0.00 C ATOM 380 O GLN A 23 26.832 8.706 12.021 1.00 0.00 O ATOM 381 CB GLN A 23 25.650 5.870 11.823 1.00 0.00 C ATOM 382 CG GLN A 23 26.734 5.871 10.752 1.00 0.00 C ATOM 383 CD GLN A 23 26.348 5.058 9.527 1.00 0.00 C ATOM 384 OE1 GLN A 23 27.202 4.473 8.859 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.061 5.025 9.215 1.00 0.00 N ATOM 0 H GLN A 23 24.274 5.799 13.858 1.00 0.00 H new ATOM 0 HA GLN A 23 26.998 6.449 13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.460 4.842 12.130 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.725 6.249 11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.941 6.898 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.656 5.470 11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.383 5.522 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.748 4.502 8.397 1.00 0.00 H new ATOM 394 N GLY A 24 24.952 8.889 13.238 1.00 0.00 N ATOM 395 CA GLY A 24 24.903 10.332 13.110 1.00 0.00 C ATOM 396 C GLY A 24 26.064 11.003 13.822 1.00 0.00 C ATOM 397 O GLY A 24 26.505 12.088 13.433 1.00 0.00 O ATOM 0 H GLY A 24 24.164 8.477 13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 24 24.919 10.604 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.963 10.701 13.520 1.00 0.00 H new ATOM 401 N GLU A 25 26.562 10.354 14.866 1.00 0.00 N ATOM 402 CA GLU A 25 27.719 10.857 15.591 1.00 0.00 C ATOM 403 C GLU A 25 28.915 9.934 15.369 1.00 0.00 C ATOM 404 O GLU A 25 30.049 10.390 15.218 1.00 0.00 O ATOM 405 CB GLU A 25 27.403 10.984 17.082 1.00 0.00 C ATOM 406 CG GLU A 25 28.507 11.649 17.886 1.00 0.00 C ATOM 407 CD GLU A 25 28.095 11.927 19.315 1.00 0.00 C ATOM 408 OE1 GLU A 25 27.527 13.011 19.574 1.00 0.00 O ATOM 409 OE2 GLU A 25 28.333 11.066 20.188 1.00 0.00 O ATOM 0 H GLU A 25 26.183 9.479 15.229 1.00 0.00 H new ATOM 0 HA GLU A 25 27.969 11.848 15.212 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.483 11.556 17.202 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.216 9.991 17.491 1.00 0.00 H new ATOM 0 HG2 GLU A 25 29.390 11.010 17.883 1.00 0.00 H new ATOM 0 HG3 GLU A 25 28.790 12.585 17.404 1.00 0.00 H new ATOM 416 N TYR A 26 28.646 8.638 15.333 1.00 0.00 N ATOM 417 CA TYR A 26 29.677 7.644 15.073 1.00 0.00 C ATOM 418 C TYR A 26 29.936 7.558 13.574 1.00 0.00 C ATOM 419 O TYR A 26 29.116 7.035 12.824 1.00 0.00 O ATOM 420 CB TYR A 26 29.258 6.274 15.618 1.00 0.00 C ATOM 421 CG TYR A 26 29.169 6.206 17.131 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.280 7.006 17.839 1.00 0.00 C ATOM 423 CD2 TYR A 26 29.977 5.336 17.851 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.201 6.941 19.215 1.00 0.00 C ATOM 425 CE2 TYR A 26 29.903 5.265 19.228 1.00 0.00 C ATOM 426 CZ TYR A 26 29.016 6.071 19.904 1.00 0.00 C ATOM 427 OH TYR A 26 28.936 6.003 21.275 1.00 0.00 O ATOM 0 H TYR A 26 27.715 8.248 15.482 1.00 0.00 H new ATOM 0 HA TYR A 26 30.593 7.946 15.581 1.00 0.00 H new ATOM 0 HB2 TYR A 26 28.288 6.009 15.196 1.00 0.00 H new ATOM 0 HB3 TYR A 26 29.971 5.525 15.273 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.640 7.691 17.303 1.00 0.00 H new ATOM 0 HD2 TYR A 26 30.676 4.703 17.324 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.503 7.569 19.749 1.00 0.00 H new ATOM 0 HE2 TYR A 26 30.538 4.581 19.771 1.00 0.00 H new ATOM 0 HH TYR A 26 29.576 5.340 21.608 1.00 0.00 H new ATOM 437 N ASP A 27 31.083 8.071 13.152 1.00 0.00 N ATOM 438 CA ASP A 27 31.396 8.200 11.729 1.00 0.00 C ATOM 439 C ASP A 27 31.784 6.859 11.119 1.00 0.00 C ATOM 440 O ASP A 27 31.657 6.652 9.910 1.00 0.00 O ATOM 441 CB ASP A 27 32.532 9.206 11.518 1.00 0.00 C ATOM 442 CG ASP A 27 33.865 8.719 12.060 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.164 8.980 13.246 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.618 8.069 11.307 1.00 0.00 O ATOM 0 H ASP A 27 31.817 8.407 13.775 1.00 0.00 H new ATOM 0 HA ASP A 27 30.496 8.559 11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.633 9.413 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.271 10.147 12.002 1.00 0.00 H new ATOM 449 N SER A 28 32.266 5.958 11.952 1.00 0.00 N ATOM 450 CA SER A 28 32.693 4.652 11.490 1.00 0.00 C ATOM 451 C SER A 28 31.584 3.625 11.702 1.00 0.00 C ATOM 452 O SER A 28 31.297 3.238 12.836 1.00 0.00 O ATOM 453 CB SER A 28 33.968 4.236 12.226 1.00 0.00 C ATOM 454 OG SER A 28 34.977 5.229 12.093 1.00 0.00 O ATOM 0 H SER A 28 32.372 6.107 12.955 1.00 0.00 H new ATOM 0 HA SER A 28 32.907 4.702 10.422 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.748 4.075 13.281 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.330 3.288 11.828 1.00 0.00 H new ATOM 0 HG SER A 28 34.593 6.032 11.683 1.00 0.00 H new ATOM 460 N GLN A 29 30.964 3.190 10.607 1.00 0.00 N ATOM 461 CA GLN A 29 29.843 2.252 10.667 1.00 0.00 C ATOM 462 C GLN A 29 30.223 0.975 11.411 1.00 0.00 C ATOM 463 O GLN A 29 29.421 0.424 12.164 1.00 0.00 O ATOM 464 CB GLN A 29 29.360 1.909 9.255 1.00 0.00 C ATOM 465 CG GLN A 29 28.336 0.778 9.215 1.00 0.00 C ATOM 466 CD GLN A 29 27.841 0.466 7.815 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.538 -0.685 7.492 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.734 1.487 6.980 1.00 0.00 N ATOM 0 H GLN A 29 31.221 3.474 9.661 1.00 0.00 H new ATOM 0 HA GLN A 29 29.035 2.736 11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 29 28.922 2.800 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.219 1.631 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 29 28.780 -0.120 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.486 1.045 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.995 2.425 7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 29 27.391 1.336 6.031 1.00 0.00 H new ATOM 477 N TRP A 30 31.451 0.520 11.203 1.00 0.00 N ATOM 478 CA TRP A 30 31.939 -0.695 11.844 1.00 0.00 C ATOM 479 C TRP A 30 31.928 -0.548 13.361 1.00 0.00 C ATOM 480 O TRP A 30 31.593 -1.488 14.084 1.00 0.00 O ATOM 481 CB TRP A 30 33.349 -1.020 11.347 1.00 0.00 C ATOM 482 CG TRP A 30 33.419 -1.165 9.861 1.00 0.00 C ATOM 483 CD1 TRP A 30 33.823 -0.219 8.966 1.00 0.00 C ATOM 484 CD2 TRP A 30 33.060 -2.320 9.094 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.737 -0.713 7.690 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.271 -2.001 7.742 1.00 0.00 C ATOM 487 CE3 TRP A 30 32.581 -3.594 9.423 1.00 0.00 C ATOM 488 CZ2 TRP A 30 33.018 -2.908 6.716 1.00 0.00 C ATOM 489 CZ3 TRP A 30 32.331 -4.492 8.405 1.00 0.00 C ATOM 490 CH2 TRP A 30 32.551 -4.146 7.064 1.00 0.00 C ATOM 0 H TRP A 30 32.130 0.975 10.593 1.00 0.00 H new ATOM 0 HA TRP A 30 31.274 -1.518 11.579 1.00 0.00 H new ATOM 0 HB2 TRP A 30 34.032 -0.231 11.663 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.690 -1.944 11.814 1.00 0.00 H new ATOM 0 HD1 TRP A 30 34.161 0.774 9.224 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.980 -0.205 6.840 1.00 0.00 H new ATOM 0 HE3 TRP A 30 32.410 -3.869 10.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 33.185 -2.644 5.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 31.960 -5.477 8.645 1.00 0.00 H new ATOM 0 HH2 TRP A 30 32.348 -4.871 6.290 1.00 0.00 H new ATOM 501 N ALA A 31 32.265 0.646 13.836 1.00 0.00 N ATOM 502 CA ALA A 31 32.252 0.931 15.262 1.00 0.00 C ATOM 503 C ALA A 31 30.824 0.930 15.782 1.00 0.00 C ATOM 504 O ALA A 31 30.546 0.438 16.879 1.00 0.00 O ATOM 505 CB ALA A 31 32.922 2.268 15.546 1.00 0.00 C ATOM 0 H ALA A 31 32.551 1.432 13.252 1.00 0.00 H new ATOM 0 HA ALA A 31 32.813 0.152 15.778 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.903 2.464 16.618 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.956 2.238 15.201 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.388 3.061 15.022 1.00 0.00 H new ATOM 511 N THR A 32 29.921 1.477 14.978 1.00 0.00 N ATOM 512 CA THR A 32 28.508 1.508 15.308 1.00 0.00 C ATOM 513 C THR A 32 27.940 0.092 15.405 1.00 0.00 C ATOM 514 O THR A 32 27.296 -0.257 16.392 1.00 0.00 O ATOM 515 CB THR A 32 27.721 2.302 14.246 1.00 0.00 C ATOM 516 OG1 THR A 32 28.427 3.507 13.926 1.00 0.00 O ATOM 517 CG2 THR A 32 26.327 2.652 14.744 1.00 0.00 C ATOM 0 H THR A 32 30.150 1.909 14.083 1.00 0.00 H new ATOM 0 HA THR A 32 28.404 1.999 16.276 1.00 0.00 H new ATOM 0 HB THR A 32 27.624 1.678 13.357 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.927 4.010 13.250 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.795 3.212 13.974 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.781 1.736 14.969 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.405 3.259 15.646 1.00 0.00 H new ATOM 525 N ILE A 33 28.207 -0.724 14.388 1.00 0.00 N ATOM 526 CA ILE A 33 27.710 -2.100 14.346 1.00 0.00 C ATOM 527 C ILE A 33 28.154 -2.889 15.578 1.00 0.00 C ATOM 528 O ILE A 33 27.338 -3.532 16.239 1.00 0.00 O ATOM 529 CB ILE A 33 28.187 -2.835 13.070 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.642 -2.141 11.821 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.760 -4.299 13.093 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.136 -2.741 10.521 1.00 0.00 C ATOM 0 H ILE A 33 28.767 -0.456 13.578 1.00 0.00 H new ATOM 0 HA ILE A 33 26.622 -2.041 14.334 1.00 0.00 H new ATOM 0 HB ILE A 33 29.276 -2.799 13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.553 -2.184 11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.920 -1.087 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.107 -4.794 12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.194 -4.791 13.963 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.673 -4.360 13.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.706 -2.195 9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.223 -2.673 10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.835 -3.787 10.466 1.00 0.00 H new ATOM 544 N CYS A 34 29.443 -2.807 15.896 1.00 0.00 N ATOM 545 CA CYS A 34 30.011 -3.537 17.027 1.00 0.00 C ATOM 546 C CYS A 34 29.447 -3.045 18.363 1.00 0.00 C ATOM 547 O CYS A 34 29.605 -3.701 19.390 1.00 0.00 O ATOM 548 CB CYS A 34 31.536 -3.406 17.024 1.00 0.00 C ATOM 549 SG CYS A 34 32.325 -3.995 15.504 1.00 0.00 S ATOM 0 H CYS A 34 30.118 -2.239 15.383 1.00 0.00 H new ATOM 0 HA CYS A 34 29.734 -4.585 16.916 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.800 -2.360 17.176 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.940 -3.963 17.870 1.00 0.00 H new ATOM 0 HG CYS A 34 32.237 -3.079 14.586 1.00 0.00 H new ATOM 555 N SER A 35 28.796 -1.892 18.350 1.00 0.00 N ATOM 556 CA SER A 35 28.196 -1.351 19.558 1.00 0.00 C ATOM 557 C SER A 35 26.702 -1.675 19.618 1.00 0.00 C ATOM 558 O SER A 35 26.179 -2.047 20.666 1.00 0.00 O ATOM 559 CB SER A 35 28.411 0.162 19.611 1.00 0.00 C ATOM 560 OG SER A 35 29.787 0.484 19.463 1.00 0.00 O ATOM 0 H SER A 35 28.670 -1.315 17.518 1.00 0.00 H new ATOM 0 HA SER A 35 28.678 -1.812 20.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.834 0.643 18.821 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.042 0.553 20.559 1.00 0.00 H new ATOM 0 HG SER A 35 29.975 0.691 18.524 1.00 0.00 H new ATOM 566 N ILE A 36 26.029 -1.553 18.481 1.00 0.00 N ATOM 567 CA ILE A 36 24.578 -1.714 18.422 1.00 0.00 C ATOM 568 C ILE A 36 24.166 -3.184 18.410 1.00 0.00 C ATOM 569 O ILE A 36 23.202 -3.566 19.074 1.00 0.00 O ATOM 570 CB ILE A 36 23.990 -1.009 17.179 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.334 0.483 17.201 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.482 -1.204 17.103 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.767 1.229 18.394 1.00 0.00 C ATOM 0 H ILE A 36 26.465 -1.342 17.583 1.00 0.00 H new ATOM 0 HA ILE A 36 24.178 -1.251 19.324 1.00 0.00 H new ATOM 0 HB ILE A 36 24.435 -1.459 16.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 25.418 0.596 17.197 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.962 0.945 16.286 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.094 -0.698 16.219 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.255 -2.268 17.041 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.016 -0.786 17.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.055 2.279 18.337 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.680 1.150 18.390 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.159 0.795 19.314 1.00 0.00 H new ATOM 585 N ALA A 37 24.903 -4.009 17.671 1.00 0.00 N ATOM 586 CA ALA A 37 24.557 -5.422 17.523 1.00 0.00 C ATOM 587 C ALA A 37 24.385 -6.127 18.877 1.00 0.00 C ATOM 588 O ALA A 37 23.348 -6.755 19.110 1.00 0.00 O ATOM 589 CB ALA A 37 25.582 -6.144 16.657 1.00 0.00 C ATOM 0 H ALA A 37 25.742 -3.725 17.166 1.00 0.00 H new ATOM 0 HA ALA A 37 23.590 -5.463 17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.303 -7.193 16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.611 -5.685 15.669 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.566 -6.071 17.120 1.00 0.00 H new ATOM 595 N PRO A 38 25.370 -6.033 19.801 1.00 0.00 N ATOM 596 CA PRO A 38 25.271 -6.685 21.112 1.00 0.00 C ATOM 597 C PRO A 38 24.256 -5.994 22.021 1.00 0.00 C ATOM 598 O PRO A 38 23.691 -6.610 22.926 1.00 0.00 O ATOM 599 CB PRO A 38 26.689 -6.569 21.696 1.00 0.00 C ATOM 600 CG PRO A 38 27.551 -6.083 20.577 1.00 0.00 C ATOM 601 CD PRO A 38 26.648 -5.313 19.665 1.00 0.00 C ATOM 0 HA PRO A 38 24.926 -7.715 21.026 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.710 -5.875 22.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.038 -7.532 22.069 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.357 -5.452 20.951 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.016 -6.917 20.052 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.560 -4.269 19.967 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.009 -5.318 18.637 1.00 0.00 H new ATOM 609 N LYS A 39 24.014 -4.718 21.754 1.00 0.00 N ATOM 610 CA LYS A 39 23.083 -3.928 22.542 1.00 0.00 C ATOM 611 C LYS A 39 21.649 -4.352 22.242 1.00 0.00 C ATOM 612 O LYS A 39 20.832 -4.510 23.151 1.00 0.00 O ATOM 613 CB LYS A 39 23.274 -2.440 22.237 1.00 0.00 C ATOM 614 CG LYS A 39 22.484 -1.515 23.147 1.00 0.00 C ATOM 615 CD LYS A 39 22.701 -0.057 22.770 1.00 0.00 C ATOM 616 CE LYS A 39 21.967 0.888 23.711 1.00 0.00 C ATOM 617 NZ LYS A 39 22.472 0.797 25.106 1.00 0.00 N ATOM 0 H LYS A 39 24.455 -4.206 20.990 1.00 0.00 H new ATOM 0 HA LYS A 39 23.280 -4.098 23.601 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.333 -2.196 22.319 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.983 -2.251 21.204 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.423 -1.756 23.083 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.785 -1.675 24.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 23.767 0.168 22.789 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.358 0.109 21.749 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.076 1.912 23.353 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.902 0.657 23.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.094 1.589 25.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.165 -0.102 25.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.511 0.841 25.103 1.00 0.00 H new ATOM 631 N ILE A 40 21.359 -4.548 20.960 1.00 0.00 N ATOM 632 CA ILE A 40 20.042 -4.999 20.532 1.00 0.00 C ATOM 633 C ILE A 40 19.861 -6.482 20.842 1.00 0.00 C ATOM 634 O ILE A 40 18.827 -6.893 21.367 1.00 0.00 O ATOM 635 CB ILE A 40 19.821 -4.753 19.019 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.922 -3.258 18.695 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.475 -5.306 18.566 1.00 0.00 C ATOM 638 CD1 ILE A 40 18.925 -2.396 19.444 1.00 0.00 C ATOM 0 H ILE A 40 22.021 -4.401 20.198 1.00 0.00 H new ATOM 0 HA ILE A 40 19.302 -4.420 21.084 1.00 0.00 H new ATOM 0 HB ILE A 40 20.605 -5.280 18.475 1.00 0.00 H new ATOM 0 HG12 ILE A 40 20.930 -2.914 18.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.775 -3.118 17.624 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.345 -5.120 17.500 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.441 -6.379 18.754 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.675 -4.815 19.120 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.061 -1.352 19.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 17.912 -2.711 19.194 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.085 -2.504 20.517 1.00 0.00 H new ATOM 650 N GLY A 41 20.880 -7.272 20.538 1.00 0.00 N ATOM 651 CA GLY A 41 20.802 -8.698 20.765 1.00 0.00 C ATOM 652 C GLY A 41 20.881 -9.478 19.469 1.00 0.00 C ATOM 653 O GLY A 41 20.027 -10.321 19.187 1.00 0.00 O ATOM 0 H GLY A 41 21.761 -6.949 20.137 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.613 -9.006 21.425 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.868 -8.934 21.275 1.00 0.00 H new ATOM 657 N CYS A 42 21.903 -9.184 18.676 1.00 0.00 N ATOM 658 CA CYS A 42 22.096 -9.828 17.387 1.00 0.00 C ATOM 659 C CYS A 42 23.576 -9.838 17.028 1.00 0.00 C ATOM 660 O CYS A 42 24.387 -9.213 17.713 1.00 0.00 O ATOM 661 CB CYS A 42 21.291 -9.092 16.311 1.00 0.00 C ATOM 662 SG CYS A 42 21.605 -7.312 16.251 1.00 0.00 S ATOM 0 H CYS A 42 22.618 -8.495 18.909 1.00 0.00 H new ATOM 0 HA CYS A 42 21.744 -10.858 17.445 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.523 -9.525 15.338 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.228 -9.258 16.489 1.00 0.00 H new ATOM 0 HG CYS A 42 22.104 -6.921 17.386 1.00 0.00 H new ATOM 668 N THR A 43 23.927 -10.547 15.968 1.00 0.00 N ATOM 669 CA THR A 43 25.307 -10.614 15.519 1.00 0.00 C ATOM 670 C THR A 43 25.601 -9.522 14.490 1.00 0.00 C ATOM 671 O THR A 43 24.699 -9.081 13.767 1.00 0.00 O ATOM 672 CB THR A 43 25.622 -11.997 14.916 1.00 0.00 C ATOM 673 OG1 THR A 43 24.657 -12.327 13.903 1.00 0.00 O ATOM 674 CG2 THR A 43 25.619 -13.074 15.993 1.00 0.00 C ATOM 0 H THR A 43 23.273 -11.086 15.401 1.00 0.00 H new ATOM 0 HA THR A 43 25.944 -10.456 16.389 1.00 0.00 H new ATOM 0 HB THR A 43 26.616 -11.952 14.470 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.867 -13.206 13.525 1.00 0.00 H new ATOM 0 HG21 THR A 43 25.844 -14.040 15.542 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.374 -12.840 16.744 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.637 -13.114 16.465 1.00 0.00 H new ATOM 682 N PRO A 44 26.866 -9.061 14.426 1.00 0.00 N ATOM 683 CA PRO A 44 27.295 -8.029 13.472 1.00 0.00 C ATOM 684 C PRO A 44 26.950 -8.397 12.034 1.00 0.00 C ATOM 685 O PRO A 44 26.566 -7.537 11.241 1.00 0.00 O ATOM 686 CB PRO A 44 28.814 -7.967 13.671 1.00 0.00 C ATOM 687 CG PRO A 44 29.028 -8.452 15.061 1.00 0.00 C ATOM 688 CD PRO A 44 27.975 -9.499 15.294 1.00 0.00 C ATOM 0 HA PRO A 44 26.796 -7.075 13.646 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.335 -8.594 12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.190 -6.952 13.543 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.028 -8.869 15.180 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.935 -7.637 15.779 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.329 -10.494 15.023 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.674 -9.542 16.341 1.00 0.00 H new ATOM 696 N GLU A 45 27.080 -9.682 11.716 1.00 0.00 N ATOM 697 CA GLU A 45 26.696 -10.207 10.412 1.00 0.00 C ATOM 698 C GLU A 45 25.261 -9.812 10.079 1.00 0.00 C ATOM 699 O GLU A 45 25.005 -9.125 9.089 1.00 0.00 O ATOM 700 CB GLU A 45 26.818 -11.734 10.416 1.00 0.00 C ATOM 701 CG GLU A 45 26.374 -12.402 9.120 1.00 0.00 C ATOM 702 CD GLU A 45 27.321 -12.145 7.968 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.446 -12.683 7.996 1.00 0.00 O ATOM 704 OE2 GLU A 45 26.938 -11.432 7.016 1.00 0.00 O ATOM 0 H GLU A 45 27.453 -10.385 12.353 1.00 0.00 H new ATOM 0 HA GLU A 45 27.361 -9.787 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.856 -12.003 10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 45 26.224 -12.132 11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.290 -13.477 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 45 25.380 -12.042 8.854 1.00 0.00 H new ATOM 711 N THR A 46 24.340 -10.235 10.940 1.00 0.00 N ATOM 712 CA THR A 46 22.917 -10.024 10.725 1.00 0.00 C ATOM 713 C THR A 46 22.573 -8.534 10.671 1.00 0.00 C ATOM 714 O THR A 46 21.797 -8.097 9.818 1.00 0.00 O ATOM 715 CB THR A 46 22.099 -10.702 11.842 1.00 0.00 C ATOM 716 OG1 THR A 46 22.619 -12.016 12.096 1.00 0.00 O ATOM 717 CG2 THR A 46 20.633 -10.808 11.449 1.00 0.00 C ATOM 0 H THR A 46 24.561 -10.732 11.803 1.00 0.00 H new ATOM 0 HA THR A 46 22.661 -10.470 9.764 1.00 0.00 H new ATOM 0 HB THR A 46 22.178 -10.093 12.743 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.338 -11.961 12.759 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.075 -11.290 12.252 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.230 -9.810 11.275 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.542 -11.400 10.538 1.00 0.00 H new ATOM 725 N LEU A 47 23.169 -7.756 11.571 1.00 0.00 N ATOM 726 CA LEU A 47 22.909 -6.322 11.634 1.00 0.00 C ATOM 727 C LEU A 47 23.371 -5.631 10.355 1.00 0.00 C ATOM 728 O LEU A 47 22.660 -4.797 9.798 1.00 0.00 O ATOM 729 CB LEU A 47 23.608 -5.696 12.845 1.00 0.00 C ATOM 730 CG LEU A 47 23.310 -4.210 13.070 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.830 -3.996 13.359 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.163 -3.658 14.200 1.00 0.00 C ATOM 0 H LEU A 47 23.835 -8.095 12.266 1.00 0.00 H new ATOM 0 HA LEU A 47 21.833 -6.183 11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.317 -6.248 13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.685 -5.821 12.729 1.00 0.00 H new ATOM 0 HG LEU A 47 23.561 -3.669 12.157 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.640 -2.934 13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.239 -4.350 12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.550 -4.551 14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.937 -2.602 14.344 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.948 -4.204 15.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.218 -3.772 13.949 1.00 0.00 H new ATOM 744 N ARG A 48 24.557 -5.996 9.878 1.00 0.00 N ATOM 745 CA ARG A 48 25.115 -5.383 8.680 1.00 0.00 C ATOM 746 C ARG A 48 24.293 -5.742 7.446 1.00 0.00 C ATOM 747 O ARG A 48 24.182 -4.944 6.512 1.00 0.00 O ATOM 748 CB ARG A 48 26.578 -5.794 8.500 1.00 0.00 C ATOM 749 CG ARG A 48 27.201 -5.305 7.204 1.00 0.00 C ATOM 750 CD ARG A 48 28.716 -5.397 7.242 1.00 0.00 C ATOM 751 NE ARG A 48 29.309 -5.276 5.911 1.00 0.00 N ATOM 752 CZ ARG A 48 29.331 -4.160 5.180 1.00 0.00 C ATOM 753 NH1 ARG A 48 28.800 -3.028 5.641 1.00 0.00 N ATOM 754 NH2 ARG A 48 29.894 -4.182 3.980 1.00 0.00 N ATOM 0 H ARG A 48 25.148 -6.711 10.302 1.00 0.00 H new ATOM 0 HA ARG A 48 25.075 -4.301 8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.159 -5.409 9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.647 -6.881 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.821 -5.897 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.903 -4.272 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.110 -4.611 7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.010 -6.349 7.684 1.00 0.00 H new ATOM 0 HE ARG A 48 29.739 -6.109 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.369 -3.006 6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 48 28.825 -2.183 5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.304 -5.046 3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 48 29.917 -3.335 3.412 1.00 0.00 H new ATOM 768 N VAL A 49 23.706 -6.934 7.448 1.00 0.00 N ATOM 769 CA VAL A 49 22.807 -7.335 6.373 1.00 0.00 C ATOM 770 C VAL A 49 21.607 -6.394 6.323 1.00 0.00 C ATOM 771 O VAL A 49 21.209 -5.932 5.251 1.00 0.00 O ATOM 772 CB VAL A 49 22.316 -8.794 6.538 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.289 -9.149 5.472 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.481 -9.766 6.482 1.00 0.00 C ATOM 0 H VAL A 49 23.836 -7.635 8.177 1.00 0.00 H new ATOM 0 HA VAL A 49 23.367 -7.277 5.440 1.00 0.00 H new ATOM 0 HB VAL A 49 21.841 -8.874 7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.961 -10.179 5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.432 -8.481 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.738 -9.042 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.111 -10.784 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.987 -9.673 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.183 -9.539 7.285 1.00 0.00 H new ATOM 784 N TRP A 50 21.056 -6.093 7.493 1.00 0.00 N ATOM 785 CA TRP A 50 19.918 -5.188 7.594 1.00 0.00 C ATOM 786 C TRP A 50 20.297 -3.782 7.153 1.00 0.00 C ATOM 787 O TRP A 50 19.482 -3.066 6.572 1.00 0.00 O ATOM 788 CB TRP A 50 19.380 -5.154 9.021 1.00 0.00 C ATOM 789 CG TRP A 50 18.743 -6.438 9.454 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.130 -7.361 8.654 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.636 -6.931 10.794 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.654 -8.401 9.415 1.00 0.00 N ATOM 793 CE2 TRP A 50 17.953 -8.160 10.732 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.056 -6.456 12.040 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.678 -8.915 11.870 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.783 -7.206 13.168 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.101 -8.425 13.076 1.00 0.00 C ATOM 0 H TRP A 50 21.380 -6.463 8.387 1.00 0.00 H new ATOM 0 HA TRP A 50 19.138 -5.563 6.931 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.197 -4.916 9.702 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.649 -4.349 9.106 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.034 -7.284 7.581 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.159 -9.219 9.059 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.585 -5.518 12.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.149 -9.854 11.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.101 -6.846 14.135 1.00 0.00 H new ATOM 0 HH2 TRP A 50 17.905 -8.990 13.975 1.00 0.00 H new ATOM 808 N VAL A 51 21.533 -3.384 7.434 1.00 0.00 N ATOM 809 CA VAL A 51 22.031 -2.091 6.985 1.00 0.00 C ATOM 810 C VAL A 51 21.988 -2.017 5.464 1.00 0.00 C ATOM 811 O VAL A 51 21.366 -1.118 4.896 1.00 0.00 O ATOM 812 CB VAL A 51 23.473 -1.826 7.473 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.992 -0.495 6.941 1.00 0.00 C ATOM 814 CG2 VAL A 51 23.535 -1.851 8.992 1.00 0.00 C ATOM 0 H VAL A 51 22.205 -3.936 7.968 1.00 0.00 H new ATOM 0 HA VAL A 51 21.385 -1.325 7.414 1.00 0.00 H new ATOM 0 HB VAL A 51 24.112 -2.619 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 51 25.009 -0.332 7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.989 -0.513 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 51 23.350 0.313 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 51 24.558 -1.663 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.878 -1.081 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 51 23.213 -2.828 9.353 1.00 0.00 H new ATOM 824 N ARG A 52 22.620 -2.993 4.813 1.00 0.00 N ATOM 825 CA ARG A 52 22.634 -3.069 3.353 1.00 0.00 C ATOM 826 C ARG A 52 21.212 -3.152 2.806 1.00 0.00 C ATOM 827 O ARG A 52 20.889 -2.545 1.785 1.00 0.00 O ATOM 828 CB ARG A 52 23.437 -4.289 2.891 1.00 0.00 C ATOM 829 CG ARG A 52 24.931 -4.195 3.162 1.00 0.00 C ATOM 830 CD ARG A 52 25.683 -3.542 2.007 1.00 0.00 C ATOM 831 NE ARG A 52 25.336 -2.133 1.824 1.00 0.00 N ATOM 832 CZ ARG A 52 25.577 -1.445 0.707 1.00 0.00 C ATOM 833 NH1 ARG A 52 26.119 -2.035 -0.350 1.00 0.00 N ATOM 834 NH2 ARG A 52 25.278 -0.155 0.653 1.00 0.00 N ATOM 0 H ARG A 52 23.131 -3.745 5.276 1.00 0.00 H new ATOM 0 HA ARG A 52 23.106 -2.165 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.045 -5.177 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.282 -4.427 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 25.098 -3.621 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.331 -5.194 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 52 26.755 -3.626 2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.468 -4.086 1.087 1.00 0.00 H new ATOM 0 HE ARG A 52 24.882 -1.647 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.357 -3.026 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 52 26.298 -1.497 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.866 0.307 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 52 25.460 0.376 -0.199 1.00 0.00 H new ATOM 848 N GLN A 53 20.366 -3.899 3.504 1.00 0.00 N ATOM 849 CA GLN A 53 18.971 -4.047 3.119 1.00 0.00 C ATOM 850 C GLN A 53 18.246 -2.706 3.174 1.00 0.00 C ATOM 851 O GLN A 53 17.532 -2.347 2.240 1.00 0.00 O ATOM 852 CB GLN A 53 18.278 -5.073 4.020 1.00 0.00 C ATOM 853 CG GLN A 53 16.786 -5.208 3.760 1.00 0.00 C ATOM 854 CD GLN A 53 16.220 -6.503 4.304 1.00 0.00 C ATOM 855 OE1 GLN A 53 15.784 -6.580 5.453 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.218 -7.533 3.472 1.00 0.00 N ATOM 0 H GLN A 53 20.625 -4.414 4.345 1.00 0.00 H new ATOM 0 HA GLN A 53 18.935 -4.406 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.751 -6.045 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.432 -4.791 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.263 -4.367 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.601 -5.156 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.589 -7.427 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.846 -8.433 3.775 1.00 0.00 H new ATOM 865 N HIS A 54 18.450 -1.962 4.256 1.00 0.00 N ATOM 866 CA HIS A 54 17.836 -0.646 4.411 1.00 0.00 C ATOM 867 C HIS A 54 18.335 0.302 3.323 1.00 0.00 C ATOM 868 O HIS A 54 17.582 1.130 2.811 1.00 0.00 O ATOM 869 CB HIS A 54 18.155 -0.067 5.797 1.00 0.00 C ATOM 870 CG HIS A 54 17.348 1.148 6.168 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.161 2.227 5.329 1.00 0.00 N ATOM 872 CD2 HIS A 54 16.680 1.447 7.308 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.421 3.133 5.937 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.116 2.684 7.136 1.00 0.00 N ATOM 0 H HIS A 54 19.036 -2.247 5.040 1.00 0.00 H new ATOM 0 HA HIS A 54 16.756 -0.756 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.989 -0.841 6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 54 19.213 0.191 5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.537 2.311 4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.606 0.826 8.189 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.117 4.082 5.522 1.00 0.00 H new ATOM 883 N GLU A 55 19.607 0.179 2.975 1.00 0.00 N ATOM 884 CA GLU A 55 20.203 1.016 1.941 1.00 0.00 C ATOM 885 C GLU A 55 19.598 0.695 0.578 1.00 0.00 C ATOM 886 O GLU A 55 19.261 1.595 -0.188 1.00 0.00 O ATOM 887 CB GLU A 55 21.717 0.825 1.911 1.00 0.00 C ATOM 888 CG GLU A 55 22.392 1.226 3.207 1.00 0.00 C ATOM 889 CD GLU A 55 23.878 0.961 3.187 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.284 -0.199 3.387 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.651 1.909 2.943 1.00 0.00 O ATOM 0 H GLU A 55 20.249 -0.494 3.394 1.00 0.00 H new ATOM 0 HA GLU A 55 19.989 2.059 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.941 -0.221 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.135 1.412 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.217 2.286 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.939 0.679 4.034 1.00 0.00 H new ATOM 898 N ARG A 56 19.443 -0.592 0.293 1.00 0.00 N ATOM 899 CA ARG A 56 18.829 -1.034 -0.955 1.00 0.00 C ATOM 900 C ARG A 56 17.331 -0.728 -0.947 1.00 0.00 C ATOM 901 O ARG A 56 16.712 -0.544 -1.994 1.00 0.00 O ATOM 902 CB ARG A 56 19.066 -2.536 -1.168 1.00 0.00 C ATOM 903 CG ARG A 56 18.444 -3.073 -2.446 1.00 0.00 C ATOM 904 CD ARG A 56 18.963 -2.330 -3.665 1.00 0.00 C ATOM 905 NE ARG A 56 18.016 -2.379 -4.770 1.00 0.00 N ATOM 906 CZ ARG A 56 17.869 -1.408 -5.666 1.00 0.00 C ATOM 907 NH1 ARG A 56 18.649 -0.332 -5.625 1.00 0.00 N ATOM 908 NH2 ARG A 56 16.937 -1.515 -6.601 1.00 0.00 N ATOM 0 H ARG A 56 19.734 -1.350 0.910 1.00 0.00 H new ATOM 0 HA ARG A 56 19.291 -0.491 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.139 -2.727 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.660 -3.084 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.666 -4.136 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.359 -2.978 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.160 -1.291 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 56 19.912 -2.765 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 56 17.430 -3.209 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.365 -0.248 -4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.531 0.410 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.337 -2.339 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.819 -0.773 -7.291 1.00 0.00 H new ATOM 922 N ASP A 57 16.759 -0.687 0.246 1.00 0.00 N ATOM 923 CA ASP A 57 15.354 -0.349 0.422 1.00 0.00 C ATOM 924 C ASP A 57 15.088 1.107 0.061 1.00 0.00 C ATOM 925 O ASP A 57 14.190 1.413 -0.726 1.00 0.00 O ATOM 926 CB ASP A 57 14.933 -0.608 1.871 1.00 0.00 C ATOM 927 CG ASP A 57 13.617 0.052 2.237 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.555 -0.513 1.918 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.642 1.135 2.865 1.00 0.00 O ATOM 0 H ASP A 57 17.252 -0.886 1.116 1.00 0.00 H new ATOM 0 HA ASP A 57 14.768 -0.979 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.850 -1.683 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.713 -0.244 2.540 1.00 0.00 H new ATOM 934 N THR A 58 15.877 2.001 0.636 1.00 0.00 N ATOM 935 CA THR A 58 15.667 3.427 0.462 1.00 0.00 C ATOM 936 C THR A 58 16.274 3.933 -0.850 1.00 0.00 C ATOM 937 O THR A 58 15.631 4.676 -1.592 1.00 0.00 O ATOM 938 CB THR A 58 16.261 4.205 1.649 1.00 0.00 C ATOM 939 OG1 THR A 58 15.865 3.572 2.877 1.00 0.00 O ATOM 940 CG2 THR A 58 15.788 5.653 1.651 1.00 0.00 C ATOM 0 H THR A 58 16.671 1.761 1.229 1.00 0.00 H new ATOM 0 HA THR A 58 14.591 3.597 0.422 1.00 0.00 H new ATOM 0 HB THR A 58 17.347 4.200 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.288 2.691 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.224 6.177 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.100 6.139 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.701 5.681 1.727 1.00 0.00 H new ATOM 948 N GLY A 59 17.499 3.517 -1.140 1.00 0.00 N ATOM 949 CA GLY A 59 18.178 3.987 -2.332 1.00 0.00 C ATOM 950 C GLY A 59 17.944 3.075 -3.515 1.00 0.00 C ATOM 951 O GLY A 59 18.027 1.851 -3.387 1.00 0.00 O ATOM 0 H GLY A 59 18.035 2.862 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.831 4.991 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.248 4.058 -2.135 1.00 0.00 H new ATOM 955 N GLY A 60 17.650 3.663 -4.665 1.00 0.00 N ATOM 956 CA GLY A 60 17.399 2.878 -5.853 1.00 0.00 C ATOM 957 C GLY A 60 18.016 3.488 -7.096 1.00 0.00 C ATOM 958 O GLY A 60 18.933 4.308 -7.007 1.00 0.00 O ATOM 0 H GLY A 60 17.581 4.672 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.796 1.873 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.323 2.778 -5.997 1.00 0.00 H new ATOM 962 N ASP A 61 17.518 3.076 -8.253 1.00 0.00 N ATOM 963 CA ASP A 61 18.008 3.586 -9.527 1.00 0.00 C ATOM 964 C ASP A 61 16.922 4.383 -10.242 1.00 0.00 C ATOM 965 O ASP A 61 15.816 3.886 -10.465 1.00 0.00 O ATOM 966 CB ASP A 61 18.482 2.433 -10.418 1.00 0.00 C ATOM 967 CG ASP A 61 18.899 2.896 -11.804 1.00 0.00 C ATOM 968 OD1 ASP A 61 20.078 3.264 -11.977 1.00 0.00 O ATOM 969 OD2 ASP A 61 18.052 2.880 -12.722 1.00 0.00 O ATOM 0 H ASP A 61 16.771 2.386 -8.336 1.00 0.00 H new ATOM 0 HA ASP A 61 18.851 4.247 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.323 1.931 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.682 1.698 -10.510 1.00 0.00 H new ATOM 974 N ASP A 62 17.235 5.625 -10.581 1.00 0.00 N ATOM 975 CA ASP A 62 16.317 6.464 -11.334 1.00 0.00 C ATOM 976 C ASP A 62 17.075 7.228 -12.407 1.00 0.00 C ATOM 977 O ASP A 62 17.973 8.014 -12.102 1.00 0.00 O ATOM 978 CB ASP A 62 15.575 7.438 -10.414 1.00 0.00 C ATOM 979 CG ASP A 62 14.552 8.260 -11.171 1.00 0.00 C ATOM 980 OD1 ASP A 62 13.543 7.679 -11.626 1.00 0.00 O ATOM 981 OD2 ASP A 62 14.756 9.478 -11.325 1.00 0.00 O ATOM 0 H ASP A 62 18.120 6.074 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 62 15.576 5.820 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.078 6.881 -9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.293 8.103 -9.935 1.00 0.00 H new ATOM 986 N GLY A 63 16.716 6.990 -13.657 1.00 0.00 N ATOM 987 CA GLY A 63 17.428 7.600 -14.758 1.00 0.00 C ATOM 988 C GLY A 63 18.732 6.889 -15.048 1.00 0.00 C ATOM 989 O GLY A 63 19.741 7.523 -15.355 1.00 0.00 O ATOM 0 H GLY A 63 15.942 6.384 -13.930 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.800 7.586 -15.649 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.628 8.646 -14.526 1.00 0.00 H new ATOM 993 N GLY A 64 18.718 5.568 -14.916 1.00 0.00 N ATOM 994 CA GLY A 64 19.899 4.781 -15.209 1.00 0.00 C ATOM 995 C GLY A 64 20.198 4.752 -16.691 1.00 0.00 C ATOM 996 O GLY A 64 19.460 4.140 -17.469 1.00 0.00 O ATOM 0 H GLY A 64 17.908 5.028 -14.611 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.754 5.194 -14.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.757 3.763 -14.846 1.00 0.00 H new ATOM 1000 N LEU A 65 21.262 5.428 -17.090 1.00 0.00 N ATOM 1001 CA LEU A 65 21.637 5.498 -18.492 1.00 0.00 C ATOM 1002 C LEU A 65 22.824 4.581 -18.767 1.00 0.00 C ATOM 1003 O LEU A 65 23.626 4.310 -17.876 1.00 0.00 O ATOM 1004 CB LEU A 65 21.976 6.941 -18.883 1.00 0.00 C ATOM 1005 CG LEU A 65 22.226 7.175 -20.374 1.00 0.00 C ATOM 1006 CD1 LEU A 65 20.975 6.854 -21.180 1.00 0.00 C ATOM 1007 CD2 LEU A 65 22.672 8.611 -20.616 1.00 0.00 C ATOM 0 H LEU A 65 21.883 5.937 -16.461 1.00 0.00 H new ATOM 0 HA LEU A 65 20.792 5.166 -19.095 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.159 7.588 -18.563 1.00 0.00 H new ATOM 0 HB3 LEU A 65 22.863 7.251 -18.330 1.00 0.00 H new ATOM 0 HG LEU A 65 23.023 6.508 -20.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.170 7.026 -22.239 1.00 0.00 H new ATOM 0 HD12 LEU A 65 20.701 5.810 -21.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.157 7.496 -20.853 1.00 0.00 H new ATOM 0 HD21 LEU A 65 22.846 8.763 -21.681 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.896 9.296 -20.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.593 8.803 -20.066 1.00 0.00 H new ATOM 1019 N THR A 66 22.923 4.107 -20.000 1.00 0.00 N ATOM 1020 CA THR A 66 23.993 3.206 -20.402 1.00 0.00 C ATOM 1021 C THR A 66 25.349 3.915 -20.395 1.00 0.00 C ATOM 1022 O THR A 66 26.389 3.276 -20.220 1.00 0.00 O ATOM 1023 CB THR A 66 23.717 2.656 -21.814 1.00 0.00 C ATOM 1024 OG1 THR A 66 22.306 2.450 -21.980 1.00 0.00 O ATOM 1025 CG2 THR A 66 24.456 1.346 -22.046 1.00 0.00 C ATOM 0 H THR A 66 22.267 4.335 -20.747 1.00 0.00 H new ATOM 0 HA THR A 66 24.025 2.387 -19.684 1.00 0.00 H new ATOM 0 HB THR A 66 24.074 3.383 -22.543 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.130 2.102 -22.879 1.00 0.00 H new ATOM 0 HG21 THR A 66 24.243 0.981 -23.051 1.00 0.00 H new ATOM 0 HG22 THR A 66 25.528 1.509 -21.939 1.00 0.00 H new ATOM 0 HG23 THR A 66 24.127 0.608 -21.314 1.00 0.00 H new ATOM 1033 N THR A 67 25.314 5.242 -20.563 1.00 0.00 N ATOM 1034 CA THR A 67 26.520 6.068 -20.673 1.00 0.00 C ATOM 1035 C THR A 67 27.524 5.461 -21.652 1.00 0.00 C ATOM 1036 O THR A 67 28.562 4.923 -21.260 1.00 0.00 O ATOM 1037 CB THR A 67 27.188 6.335 -19.301 1.00 0.00 C ATOM 1038 OG1 THR A 67 27.324 5.120 -18.550 1.00 0.00 O ATOM 1039 CG2 THR A 67 26.378 7.338 -18.494 1.00 0.00 C ATOM 0 H THR A 67 24.446 5.774 -20.627 1.00 0.00 H new ATOM 0 HA THR A 67 26.195 7.032 -21.064 1.00 0.00 H new ATOM 0 HB THR A 67 28.179 6.745 -19.493 1.00 0.00 H new ATOM 0 HG1 THR A 67 27.392 4.361 -19.166 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.865 7.511 -17.534 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.312 8.278 -19.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 25.375 6.945 -18.326 1.00 0.00 H new ATOM 1047 N ALA A 68 27.183 5.536 -22.931 1.00 0.00 N ATOM 1048 CA ALA A 68 27.996 4.940 -23.982 1.00 0.00 C ATOM 1049 C ALA A 68 29.187 5.821 -24.322 1.00 0.00 C ATOM 1050 O ALA A 68 30.187 5.346 -24.859 1.00 0.00 O ATOM 1051 CB ALA A 68 27.153 4.689 -25.218 1.00 0.00 C ATOM 0 H ALA A 68 26.343 6.007 -23.267 1.00 0.00 H new ATOM 0 HA ALA A 68 28.378 3.987 -23.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 27.772 4.243 -25.996 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.337 4.010 -24.970 1.00 0.00 H new ATOM 0 HB3 ALA A 68 26.743 5.633 -25.577 1.00 0.00 H new ATOM 1057 N GLU A 69 29.076 7.105 -24.014 1.00 0.00 N ATOM 1058 CA GLU A 69 30.167 8.031 -24.251 1.00 0.00 C ATOM 1059 C GLU A 69 31.082 8.073 -23.026 1.00 0.00 C ATOM 1060 O GLU A 69 32.263 7.734 -23.117 1.00 0.00 O ATOM 1061 CB GLU A 69 29.649 9.439 -24.626 1.00 0.00 C ATOM 1062 CG GLU A 69 28.776 10.126 -23.576 1.00 0.00 C ATOM 1063 CD GLU A 69 27.381 9.535 -23.449 1.00 0.00 C ATOM 1064 OE1 GLU A 69 27.221 8.526 -22.729 1.00 0.00 O ATOM 1065 OE2 GLU A 69 26.441 10.079 -24.062 1.00 0.00 O ATOM 0 H GLU A 69 28.244 7.526 -23.601 1.00 0.00 H new ATOM 0 HA GLU A 69 30.745 7.677 -25.104 1.00 0.00 H new ATOM 0 HB2 GLU A 69 30.507 10.078 -24.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 29.079 9.361 -25.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 29.274 10.066 -22.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 28.690 11.184 -23.825 1.00 0.00 H new ATOM 1072 N ARG A 70 30.513 8.467 -21.885 1.00 0.00 N ATOM 1073 CA ARG A 70 31.199 8.482 -20.592 1.00 0.00 C ATOM 1074 C ARG A 70 30.340 9.226 -19.573 1.00 0.00 C ATOM 1075 O ARG A 70 29.902 8.648 -18.580 1.00 0.00 O ATOM 1076 CB ARG A 70 32.612 9.102 -20.675 1.00 0.00 C ATOM 1077 CG ARG A 70 32.677 10.511 -21.248 1.00 0.00 C ATOM 1078 CD ARG A 70 34.116 10.982 -21.392 1.00 0.00 C ATOM 1079 NE ARG A 70 34.914 10.664 -20.206 1.00 0.00 N ATOM 1080 CZ ARG A 70 35.487 11.570 -19.413 1.00 0.00 C ATOM 1081 NH1 ARG A 70 35.388 12.868 -19.692 1.00 0.00 N ATOM 1082 NH2 ARG A 70 36.167 11.169 -18.344 1.00 0.00 N ATOM 0 H ARG A 70 29.547 8.790 -21.833 1.00 0.00 H new ATOM 0 HA ARG A 70 31.337 7.448 -20.275 1.00 0.00 H new ATOM 0 HB2 ARG A 70 33.043 9.115 -19.674 1.00 0.00 H new ATOM 0 HB3 ARG A 70 33.240 8.452 -21.284 1.00 0.00 H new ATOM 0 HG2 ARG A 70 32.185 10.534 -22.221 1.00 0.00 H new ATOM 0 HG3 ARG A 70 32.131 11.196 -20.599 1.00 0.00 H new ATOM 0 HD2 ARG A 70 34.565 10.515 -22.268 1.00 0.00 H new ATOM 0 HD3 ARG A 70 34.131 12.059 -21.562 1.00 0.00 H new ATOM 0 HE ARG A 70 35.040 9.680 -19.970 1.00 0.00 H new ATOM 0 HH11 ARG A 70 34.871 13.174 -20.516 1.00 0.00 H new ATOM 0 HH12 ARG A 70 35.829 13.556 -19.081 1.00 0.00 H new ATOM 0 HH21 ARG A 70 36.248 10.174 -18.135 1.00 0.00 H new ATOM 0 HH22 ARG A 70 36.608 11.856 -17.733 1.00 0.00 H new ATOM 1096 N GLN A 71 30.089 10.501 -19.844 1.00 0.00 N ATOM 1097 CA GLN A 71 29.205 11.326 -19.032 1.00 0.00 C ATOM 1098 C GLN A 71 28.450 12.274 -19.951 1.00 0.00 C ATOM 1099 O GLN A 71 28.652 12.249 -21.165 1.00 0.00 O ATOM 1100 CB GLN A 71 29.974 12.139 -17.976 1.00 0.00 C ATOM 1101 CG GLN A 71 30.532 11.321 -16.819 1.00 0.00 C ATOM 1102 CD GLN A 71 31.901 10.734 -17.108 1.00 0.00 C ATOM 1103 OE1 GLN A 71 32.698 11.318 -17.839 1.00 0.00 O ATOM 1104 NE2 GLN A 71 32.186 9.578 -16.528 1.00 0.00 N ATOM 0 H GLN A 71 30.496 10.994 -20.639 1.00 0.00 H new ATOM 0 HA GLN A 71 28.519 10.668 -18.498 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.798 12.657 -18.467 1.00 0.00 H new ATOM 0 HB3 GLN A 71 29.311 12.905 -17.574 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.594 11.952 -15.933 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.839 10.513 -16.586 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.497 9.125 -15.928 1.00 0.00 H new ATOM 0 HE22 GLN A 71 33.095 9.141 -16.681 1.00 0.00 H new ATOM 1113 N ARG A 72 27.602 13.116 -19.383 1.00 0.00 N ATOM 1114 CA ARG A 72 26.836 14.060 -20.177 1.00 0.00 C ATOM 1115 C ARG A 72 27.691 15.259 -20.572 1.00 0.00 C ATOM 1116 O ARG A 72 28.147 16.026 -19.723 1.00 0.00 O ATOM 1117 CB ARG A 72 25.588 14.509 -19.418 1.00 0.00 C ATOM 1118 CG ARG A 72 24.504 13.446 -19.368 1.00 0.00 C ATOM 1119 CD ARG A 72 23.321 13.883 -18.523 1.00 0.00 C ATOM 1120 NE ARG A 72 22.189 12.972 -18.667 1.00 0.00 N ATOM 1121 CZ ARG A 72 21.818 12.084 -17.746 1.00 0.00 C ATOM 1122 NH1 ARG A 72 22.519 11.939 -16.629 1.00 0.00 N ATOM 1123 NH2 ARG A 72 20.746 11.330 -17.956 1.00 0.00 N ATOM 0 H ARG A 72 27.428 13.165 -18.379 1.00 0.00 H new ATOM 0 HA ARG A 72 26.519 13.559 -21.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.868 14.782 -18.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 25.187 15.406 -19.890 1.00 0.00 H new ATOM 0 HG2 ARG A 72 24.165 13.225 -20.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.919 12.523 -18.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.619 13.930 -17.476 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.018 14.889 -18.814 1.00 0.00 H new ATOM 0 HE ARG A 72 21.647 13.019 -19.530 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.349 12.510 -16.470 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.228 11.257 -15.929 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.212 11.432 -18.819 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.457 10.648 -17.255 1.00 0.00 H new ATOM 1137 N LEU A 73 27.919 15.395 -21.869 1.00 0.00 N ATOM 1138 CA LEU A 73 28.725 16.482 -22.406 1.00 0.00 C ATOM 1139 C LEU A 73 28.195 16.914 -23.770 1.00 0.00 C ATOM 1140 O LEU A 73 27.188 16.380 -24.242 1.00 0.00 O ATOM 1141 CB LEU A 73 30.204 16.067 -22.491 1.00 0.00 C ATOM 1142 CG LEU A 73 30.481 14.625 -22.952 1.00 0.00 C ATOM 1143 CD1 LEU A 73 30.170 14.441 -24.431 1.00 0.00 C ATOM 1144 CD2 LEU A 73 31.925 14.246 -22.662 1.00 0.00 C ATOM 0 H LEU A 73 27.553 14.758 -22.577 1.00 0.00 H new ATOM 0 HA LEU A 73 28.655 17.335 -21.731 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.712 16.748 -23.174 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.655 16.205 -21.508 1.00 0.00 H new ATOM 0 HG LEU A 73 29.821 13.963 -22.390 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.377 13.411 -24.721 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.119 14.664 -24.612 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.791 15.116 -25.020 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.106 13.224 -22.993 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.593 14.924 -23.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.112 14.319 -21.591 1.00 0.00 H new ATOM 1156 N LYS A 74 28.870 17.882 -24.391 1.00 0.00 N ATOM 1157 CA LYS A 74 28.470 18.415 -25.694 1.00 0.00 C ATOM 1158 C LYS A 74 27.076 19.029 -25.649 1.00 0.00 C ATOM 1159 O LYS A 74 26.348 19.018 -26.643 1.00 0.00 O ATOM 1160 CB LYS A 74 28.533 17.335 -26.778 1.00 0.00 C ATOM 1161 CG LYS A 74 29.949 16.970 -27.199 1.00 0.00 C ATOM 1162 CD LYS A 74 30.739 18.199 -27.625 1.00 0.00 C ATOM 1163 CE LYS A 74 30.061 18.941 -28.765 1.00 0.00 C ATOM 1164 NZ LYS A 74 30.759 20.211 -29.084 1.00 0.00 N ATOM 0 H LYS A 74 29.708 18.318 -24.006 1.00 0.00 H new ATOM 0 HA LYS A 74 29.180 19.203 -25.945 1.00 0.00 H new ATOM 0 HB2 LYS A 74 28.029 16.439 -26.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 27.981 17.679 -27.653 1.00 0.00 H new ATOM 0 HG2 LYS A 74 30.460 16.477 -26.372 1.00 0.00 H new ATOM 0 HG3 LYS A 74 29.912 16.256 -28.022 1.00 0.00 H new ATOM 0 HD2 LYS A 74 30.855 18.869 -26.773 1.00 0.00 H new ATOM 0 HD3 LYS A 74 31.741 17.898 -27.932 1.00 0.00 H new ATOM 0 HE2 LYS A 74 30.038 18.306 -29.650 1.00 0.00 H new ATOM 0 HE3 LYS A 74 29.026 19.152 -28.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 30.058 20.968 -29.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 31.395 20.464 -28.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 31.314 20.093 -29.956 1.00 0.00 H new ATOM 1178 N GLU A 75 26.714 19.591 -24.507 1.00 0.00 N ATOM 1179 CA GLU A 75 25.428 20.256 -24.366 1.00 0.00 C ATOM 1180 C GLU A 75 25.635 21.687 -23.871 1.00 0.00 C ATOM 1181 O GLU A 75 25.494 21.974 -22.682 1.00 0.00 O ATOM 1182 CB GLU A 75 24.509 19.485 -23.413 1.00 0.00 C ATOM 1183 CG GLU A 75 23.063 19.951 -23.460 1.00 0.00 C ATOM 1184 CD GLU A 75 22.175 19.203 -22.487 1.00 0.00 C ATOM 1185 OE1 GLU A 75 21.716 18.091 -22.822 1.00 0.00 O ATOM 1186 OE2 GLU A 75 21.923 19.729 -21.387 1.00 0.00 O ATOM 0 H GLU A 75 27.291 19.600 -23.666 1.00 0.00 H new ATOM 0 HA GLU A 75 24.945 20.284 -25.343 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.549 18.424 -23.660 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.884 19.590 -22.395 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.022 21.017 -23.237 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.677 19.822 -24.471 1.00 0.00 H new ATOM 1193 N PRO A 76 26.009 22.596 -24.783 1.00 0.00 N ATOM 1194 CA PRO A 76 26.256 23.997 -24.470 1.00 0.00 C ATOM 1195 C PRO A 76 24.979 24.830 -24.547 1.00 0.00 C ATOM 1196 O PRO A 76 23.875 24.290 -24.638 1.00 0.00 O ATOM 1197 CB PRO A 76 27.254 24.432 -25.561 1.00 0.00 C ATOM 1198 CG PRO A 76 27.380 23.270 -26.503 1.00 0.00 C ATOM 1199 CD PRO A 76 26.238 22.344 -26.203 1.00 0.00 C ATOM 0 HA PRO A 76 26.630 24.137 -23.456 1.00 0.00 H new ATOM 0 HB2 PRO A 76 26.897 25.319 -26.084 1.00 0.00 H new ATOM 0 HB3 PRO A 76 28.220 24.686 -25.125 1.00 0.00 H new ATOM 0 HG2 PRO A 76 27.343 23.606 -27.539 1.00 0.00 H new ATOM 0 HG3 PRO A 76 28.335 22.763 -26.366 1.00 0.00 H new ATOM 0 HD2 PRO A 76 25.358 22.572 -26.805 1.00 0.00 H new ATOM 0 HD3 PRO A 76 26.495 21.303 -26.396 1.00 0.00 H new ATOM 1207 N GLU A 77 25.131 26.141 -24.514 1.00 0.00 N ATOM 1208 CA GLU A 77 23.990 27.035 -24.611 1.00 0.00 C ATOM 1209 C GLU A 77 23.782 27.454 -26.057 1.00 0.00 C ATOM 1210 O GLU A 77 22.755 27.145 -26.661 1.00 0.00 O ATOM 1211 CB GLU A 77 24.187 28.269 -23.727 1.00 0.00 C ATOM 1212 CG GLU A 77 24.359 27.945 -22.254 1.00 0.00 C ATOM 1213 CD GLU A 77 23.207 27.137 -21.699 1.00 0.00 C ATOM 1214 OE1 GLU A 77 22.227 27.740 -21.214 1.00 0.00 O ATOM 1215 OE2 GLU A 77 23.278 25.890 -21.739 1.00 0.00 O ATOM 0 H GLU A 77 26.032 26.611 -24.421 1.00 0.00 H new ATOM 0 HA GLU A 77 23.105 26.504 -24.261 1.00 0.00 H new ATOM 0 HB2 GLU A 77 25.063 28.817 -24.074 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.329 28.931 -23.846 1.00 0.00 H new ATOM 0 HG2 GLU A 77 25.287 27.392 -22.113 1.00 0.00 H new ATOM 0 HG3 GLU A 77 24.452 28.873 -21.690 1.00 0.00 H new ATOM 1222 N ARG A 78 24.772 28.135 -26.620 1.00 0.00 N ATOM 1223 CA ARG A 78 24.690 28.580 -28.001 1.00 0.00 C ATOM 1224 C ARG A 78 25.781 27.931 -28.841 1.00 0.00 C ATOM 1225 O ARG A 78 26.857 28.498 -29.042 1.00 0.00 O ATOM 1226 CB ARG A 78 24.780 30.103 -28.095 1.00 0.00 C ATOM 1227 CG ARG A 78 23.643 30.821 -27.390 1.00 0.00 C ATOM 1228 CD ARG A 78 23.701 32.319 -27.622 1.00 0.00 C ATOM 1229 NE ARG A 78 23.525 32.665 -29.032 1.00 0.00 N ATOM 1230 CZ ARG A 78 24.141 33.680 -29.634 1.00 0.00 C ATOM 1231 NH1 ARG A 78 25.007 34.435 -28.960 1.00 0.00 N ATOM 1232 NH2 ARG A 78 23.898 33.935 -30.916 1.00 0.00 N ATOM 0 H ARG A 78 25.637 28.389 -26.142 1.00 0.00 H new ATOM 0 HA ARG A 78 23.721 28.273 -28.394 1.00 0.00 H new ATOM 0 HB2 ARG A 78 25.727 30.430 -27.666 1.00 0.00 H new ATOM 0 HB3 ARG A 78 24.788 30.395 -29.145 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.689 30.433 -27.748 1.00 0.00 H new ATOM 0 HG3 ARG A 78 23.689 30.616 -26.321 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.927 32.807 -27.030 1.00 0.00 H new ATOM 0 HD3 ARG A 78 24.659 32.703 -27.272 1.00 0.00 H new ATOM 0 HE ARG A 78 22.890 32.093 -29.589 1.00 0.00 H new ATOM 0 HH11 ARG A 78 25.201 34.236 -27.978 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.477 35.212 -29.425 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.241 33.354 -31.436 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.369 34.712 -31.380 1.00 0.00 H new ATOM 1246 N GLU A 79 25.505 26.718 -29.288 1.00 0.00 N ATOM 1247 CA GLU A 79 26.399 25.983 -30.168 1.00 0.00 C ATOM 1248 C GLU A 79 25.558 25.042 -31.010 1.00 0.00 C ATOM 1249 O GLU A 79 24.468 24.650 -30.592 1.00 0.00 O ATOM 1250 CB GLU A 79 27.436 25.181 -29.366 1.00 0.00 C ATOM 1251 CG GLU A 79 28.486 24.489 -30.231 1.00 0.00 C ATOM 1252 CD GLU A 79 29.298 23.456 -29.471 1.00 0.00 C ATOM 1253 OE1 GLU A 79 30.125 23.846 -28.618 1.00 0.00 O ATOM 1254 OE2 GLU A 79 29.130 22.248 -29.735 1.00 0.00 O ATOM 0 H GLU A 79 24.651 26.213 -29.050 1.00 0.00 H new ATOM 0 HA GLU A 79 26.944 26.685 -30.799 1.00 0.00 H new ATOM 0 HB2 GLU A 79 27.938 25.851 -28.668 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.918 24.430 -28.770 1.00 0.00 H new ATOM 0 HG2 GLU A 79 27.992 24.006 -31.074 1.00 0.00 H new ATOM 0 HG3 GLU A 79 29.160 25.240 -30.644 1.00 0.00 H new ATOM 1261 N ASN A 80 26.035 24.697 -32.192 1.00 0.00 N ATOM 1262 CA ASN A 80 25.319 23.758 -33.042 1.00 0.00 C ATOM 1263 C ASN A 80 25.536 22.336 -32.537 1.00 0.00 C ATOM 1264 O ASN A 80 26.473 21.650 -32.953 1.00 0.00 O ATOM 1265 CB ASN A 80 25.764 23.872 -34.508 1.00 0.00 C ATOM 1266 CG ASN A 80 25.278 25.142 -35.198 1.00 0.00 C ATOM 1267 OD1 ASN A 80 25.179 26.239 -34.459 1.00 0.00 O flip ATOM 1268 ND2 ASN A 80 25.005 25.136 -36.398 1.00 0.00 N flip ATOM 0 H ASN A 80 26.908 25.049 -32.585 1.00 0.00 H new ATOM 0 HA ASN A 80 24.258 24.003 -32.997 1.00 0.00 H new ATOM 0 HB2 ASN A 80 26.853 23.839 -34.552 1.00 0.00 H new ATOM 0 HB3 ASN A 80 25.396 23.006 -35.059 1.00 0.00 H new ATOM 0 HD21 ASN A 80 25.092 24.274 -36.937 1.00 0.00 H new ATOM 0 HD22 ASN A 80 24.691 25.993 -36.854 1.00 0.00 H new ATOM 1275 N ARG A 81 24.689 21.911 -31.608 1.00 0.00 N ATOM 1276 CA ARG A 81 24.793 20.581 -31.033 1.00 0.00 C ATOM 1277 C ARG A 81 24.165 19.556 -31.961 1.00 0.00 C ATOM 1278 O ARG A 81 22.941 19.400 -32.006 1.00 0.00 O ATOM 1279 CB ARG A 81 24.132 20.528 -29.650 1.00 0.00 C ATOM 1280 CG ARG A 81 23.926 19.113 -29.121 1.00 0.00 C ATOM 1281 CD ARG A 81 23.315 19.118 -27.732 1.00 0.00 C ATOM 1282 NE ARG A 81 22.698 17.835 -27.398 1.00 0.00 N ATOM 1283 CZ ARG A 81 23.181 16.979 -26.494 1.00 0.00 C ATOM 1284 NH1 ARG A 81 24.361 17.193 -25.935 1.00 0.00 N ATOM 1285 NH2 ARG A 81 22.494 15.889 -26.175 1.00 0.00 N ATOM 0 H ARG A 81 23.922 22.472 -31.238 1.00 0.00 H new ATOM 0 HA ARG A 81 25.850 20.343 -30.912 1.00 0.00 H new ATOM 0 HB2 ARG A 81 24.746 21.085 -28.942 1.00 0.00 H new ATOM 0 HB3 ARG A 81 23.167 21.032 -29.699 1.00 0.00 H new ATOM 0 HG2 ARG A 81 23.278 18.560 -29.802 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.882 18.591 -29.096 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.086 19.351 -26.998 1.00 0.00 H new ATOM 0 HD3 ARG A 81 22.566 19.907 -27.669 1.00 0.00 H new ATOM 0 HE ARG A 81 21.842 17.577 -27.888 1.00 0.00 H new ATOM 0 HH11 ARG A 81 24.906 18.015 -26.194 1.00 0.00 H new ATOM 0 HH12 ARG A 81 24.725 16.536 -25.245 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.595 15.704 -26.621 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.865 15.236 -25.484 1.00 0.00 H new ATOM 1299 N GLU A 82 25.005 18.893 -32.731 1.00 0.00 N ATOM 1300 CA GLU A 82 24.550 17.832 -33.601 1.00 0.00 C ATOM 1301 C GLU A 82 24.875 16.488 -32.977 1.00 0.00 C ATOM 1302 O GLU A 82 26.038 16.099 -32.883 1.00 0.00 O ATOM 1303 CB GLU A 82 25.196 17.950 -34.981 1.00 0.00 C ATOM 1304 CG GLU A 82 24.699 16.912 -35.967 1.00 0.00 C ATOM 1305 CD GLU A 82 25.237 17.129 -37.360 1.00 0.00 C ATOM 1306 OE1 GLU A 82 24.648 17.933 -38.110 1.00 0.00 O ATOM 1307 OE2 GLU A 82 26.243 16.489 -37.719 1.00 0.00 O ATOM 0 H GLU A 82 26.008 19.073 -32.770 1.00 0.00 H new ATOM 0 HA GLU A 82 23.471 17.917 -33.726 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.001 18.945 -35.382 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.277 17.855 -34.878 1.00 0.00 H new ATOM 0 HG2 GLU A 82 24.988 15.920 -35.621 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.610 16.935 -35.995 1.00 0.00 H new ATOM 1314 N LEU A 83 23.844 15.797 -32.530 1.00 0.00 N ATOM 1315 CA LEU A 83 24.013 14.506 -31.890 1.00 0.00 C ATOM 1316 C LEU A 83 24.105 13.401 -32.940 1.00 0.00 C ATOM 1317 O LEU A 83 23.644 13.578 -34.071 1.00 0.00 O ATOM 1318 CB LEU A 83 22.842 14.244 -30.938 1.00 0.00 C ATOM 1319 CG LEU A 83 22.992 13.028 -30.024 1.00 0.00 C ATOM 1320 CD1 LEU A 83 24.174 13.204 -29.087 1.00 0.00 C ATOM 1321 CD2 LEU A 83 21.714 12.813 -29.232 1.00 0.00 C ATOM 0 H LEU A 83 22.876 16.110 -32.599 1.00 0.00 H new ATOM 0 HA LEU A 83 24.940 14.511 -31.317 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.698 15.128 -30.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.936 14.121 -31.531 1.00 0.00 H new ATOM 0 HG LEU A 83 23.176 12.149 -30.641 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.263 12.328 -28.445 1.00 0.00 H new ATOM 0 HD12 LEU A 83 25.087 13.320 -29.671 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.021 14.091 -28.471 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.830 11.945 -28.583 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.510 13.695 -28.625 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.884 12.645 -29.919 1.00 0.00 H new ATOM 1333 N ARG A 84 24.714 12.279 -32.569 1.00 0.00 N ATOM 1334 CA ARG A 84 24.836 11.134 -33.466 1.00 0.00 C ATOM 1335 C ARG A 84 23.475 10.714 -34.004 1.00 0.00 C ATOM 1336 O ARG A 84 23.295 10.591 -35.218 1.00 0.00 O ATOM 1337 CB ARG A 84 25.496 9.954 -32.746 1.00 0.00 C ATOM 1338 CG ARG A 84 25.434 8.646 -33.523 1.00 0.00 C ATOM 1339 CD ARG A 84 26.118 7.516 -32.771 1.00 0.00 C ATOM 1340 NE ARG A 84 25.840 6.212 -33.376 1.00 0.00 N ATOM 1341 CZ ARG A 84 26.314 5.055 -32.912 1.00 0.00 C ATOM 1342 NH1 ARG A 84 27.192 5.045 -31.918 1.00 0.00 N ATOM 1343 NH2 ARG A 84 25.936 3.907 -33.465 1.00 0.00 N ATOM 0 H ARG A 84 25.132 12.138 -31.650 1.00 0.00 H new ATOM 0 HA ARG A 84 25.463 11.434 -34.305 1.00 0.00 H new ATOM 0 HB2 ARG A 84 26.540 10.199 -32.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 25.013 9.814 -31.779 1.00 0.00 H new ATOM 0 HG2 ARG A 84 24.393 8.382 -33.710 1.00 0.00 H new ATOM 0 HG3 ARG A 84 25.909 8.777 -34.495 1.00 0.00 H new ATOM 0 HD2 ARG A 84 27.194 7.688 -32.757 1.00 0.00 H new ATOM 0 HD3 ARG A 84 25.782 7.514 -31.734 1.00 0.00 H new ATOM 0 HE ARG A 84 25.246 6.187 -34.205 1.00 0.00 H new ATOM 0 HH11 ARG A 84 27.506 5.924 -31.506 1.00 0.00 H new ATOM 0 HH12 ARG A 84 27.553 4.159 -31.565 1.00 0.00 H new ATOM 0 HH21 ARG A 84 25.281 3.909 -34.247 1.00 0.00 H new ATOM 0 HH22 ARG A 84 26.301 3.024 -33.107 1.00 0.00 H new ATOM 1357 N ARG A 85 22.527 10.511 -33.090 1.00 0.00 N ATOM 1358 CA ARG A 85 21.185 10.054 -33.435 1.00 0.00 C ATOM 1359 C ARG A 85 21.234 8.647 -34.014 1.00 0.00 C ATOM 1360 O ARG A 85 21.378 8.459 -35.222 1.00 0.00 O ATOM 1361 CB ARG A 85 20.495 11.006 -34.418 1.00 0.00 C ATOM 1362 CG ARG A 85 20.184 12.377 -33.839 1.00 0.00 C ATOM 1363 CD ARG A 85 19.478 13.269 -34.853 1.00 0.00 C ATOM 1364 NE ARG A 85 20.377 13.754 -35.906 1.00 0.00 N ATOM 1365 CZ ARG A 85 20.418 13.263 -37.145 1.00 0.00 C ATOM 1366 NH1 ARG A 85 19.689 12.202 -37.470 1.00 0.00 N ATOM 1367 NH2 ARG A 85 21.199 13.825 -38.059 1.00 0.00 N ATOM 0 H ARG A 85 22.669 10.659 -32.091 1.00 0.00 H new ATOM 0 HA ARG A 85 20.598 10.042 -32.517 1.00 0.00 H new ATOM 0 HB2 ARG A 85 21.131 11.129 -35.295 1.00 0.00 H new ATOM 0 HB3 ARG A 85 19.566 10.548 -34.759 1.00 0.00 H new ATOM 0 HG2 ARG A 85 19.557 12.265 -32.954 1.00 0.00 H new ATOM 0 HG3 ARG A 85 21.109 12.854 -33.516 1.00 0.00 H new ATOM 0 HD2 ARG A 85 18.658 12.715 -35.309 1.00 0.00 H new ATOM 0 HD3 ARG A 85 19.038 14.122 -34.336 1.00 0.00 H new ATOM 0 HE ARG A 85 21.013 14.517 -35.675 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.094 11.758 -36.770 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.724 11.830 -38.419 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.770 14.634 -37.814 1.00 0.00 H new ATOM 0 HH22 ARG A 85 21.229 13.448 -39.006 1.00 0.00 H new ATOM 1381 N SER A 86 21.137 7.660 -33.141 1.00 0.00 N ATOM 1382 CA SER A 86 21.178 6.271 -33.559 1.00 0.00 C ATOM 1383 C SER A 86 19.784 5.794 -33.947 1.00 0.00 C ATOM 1384 O SER A 86 19.153 5.013 -33.234 1.00 0.00 O ATOM 1385 CB SER A 86 21.747 5.402 -32.438 1.00 0.00 C ATOM 1386 OG SER A 86 22.972 5.933 -31.965 1.00 0.00 O ATOM 0 H SER A 86 21.029 7.796 -32.136 1.00 0.00 H new ATOM 0 HA SER A 86 21.827 6.185 -34.431 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.031 5.342 -31.619 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.902 4.386 -32.802 1.00 0.00 H new ATOM 0 HG SER A 86 23.320 5.364 -31.247 1.00 0.00 H new ATOM 1392 N ASN A 87 19.294 6.297 -35.068 1.00 0.00 N ATOM 1393 CA ASN A 87 17.968 5.943 -35.542 1.00 0.00 C ATOM 1394 C ASN A 87 18.046 5.010 -36.749 1.00 0.00 C ATOM 1395 O ASN A 87 17.784 5.402 -37.888 1.00 0.00 O ATOM 1396 CB ASN A 87 17.140 7.198 -35.871 1.00 0.00 C ATOM 1397 CG ASN A 87 17.775 8.101 -36.920 1.00 0.00 C ATOM 1398 OD1 ASN A 87 18.996 8.204 -37.024 1.00 0.00 O ATOM 1399 ND2 ASN A 87 16.942 8.764 -37.704 1.00 0.00 N ATOM 0 H ASN A 87 19.796 6.953 -35.667 1.00 0.00 H new ATOM 0 HA ASN A 87 17.462 5.410 -34.737 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.155 6.889 -36.220 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.989 7.771 -34.956 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.307 9.387 -38.425 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.935 8.653 -37.588 1.00 0.00 H new ATOM 1406 N ASP A 88 18.427 3.768 -36.490 1.00 0.00 N ATOM 1407 CA ASP A 88 18.466 2.749 -37.531 1.00 0.00 C ATOM 1408 C ASP A 88 17.057 2.266 -37.831 1.00 0.00 C ATOM 1409 O ASP A 88 16.608 1.247 -37.311 1.00 0.00 O ATOM 1410 CB ASP A 88 19.359 1.570 -37.127 1.00 0.00 C ATOM 1411 CG ASP A 88 20.832 1.922 -37.131 1.00 0.00 C ATOM 1412 OD1 ASP A 88 21.343 2.386 -36.087 1.00 0.00 O ATOM 1413 OD2 ASP A 88 21.487 1.740 -38.179 1.00 0.00 O ATOM 0 H ASP A 88 18.714 3.440 -35.568 1.00 0.00 H new ATOM 0 HA ASP A 88 18.894 3.195 -38.429 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.074 1.229 -36.132 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.187 0.739 -37.811 1.00 0.00 H new ATOM 1418 N ILE A 89 16.355 3.031 -38.651 1.00 0.00 N ATOM 1419 CA ILE A 89 14.964 2.748 -38.969 1.00 0.00 C ATOM 1420 C ILE A 89 14.835 1.807 -40.161 1.00 0.00 C ATOM 1421 O ILE A 89 13.728 1.460 -40.573 1.00 0.00 O ATOM 1422 CB ILE A 89 14.172 4.056 -39.233 1.00 0.00 C ATOM 1423 CG1 ILE A 89 14.948 5.015 -40.153 1.00 0.00 C ATOM 1424 CG2 ILE A 89 13.843 4.744 -37.915 1.00 0.00 C ATOM 1425 CD1 ILE A 89 14.957 4.619 -41.619 1.00 0.00 C ATOM 0 H ILE A 89 16.729 3.860 -39.112 1.00 0.00 H new ATOM 0 HA ILE A 89 14.536 2.250 -38.099 1.00 0.00 H new ATOM 0 HB ILE A 89 13.246 3.787 -39.741 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.517 6.012 -40.063 1.00 0.00 H new ATOM 0 HG13 ILE A 89 15.978 5.080 -39.802 1.00 0.00 H new ATOM 0 HG21 ILE A 89 13.287 5.661 -38.112 1.00 0.00 H new ATOM 0 HG22 ILE A 89 13.239 4.079 -37.298 1.00 0.00 H new ATOM 0 HG23 ILE A 89 14.767 4.986 -37.390 1.00 0.00 H new ATOM 0 HD11 ILE A 89 15.527 5.352 -42.190 1.00 0.00 H new ATOM 0 HD12 ILE A 89 15.417 3.637 -41.728 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.934 4.583 -41.993 1.00 0.00 H new ATOM 1437 N LEU A 90 15.970 1.387 -40.702 1.00 0.00 N ATOM 1438 CA LEU A 90 15.982 0.535 -41.880 1.00 0.00 C ATOM 1439 C LEU A 90 15.654 -0.903 -41.518 1.00 0.00 C ATOM 1440 O LEU A 90 16.144 -1.437 -40.519 1.00 0.00 O ATOM 1441 CB LEU A 90 17.342 0.595 -42.573 1.00 0.00 C ATOM 1442 CG LEU A 90 17.701 1.948 -43.189 1.00 0.00 C ATOM 1443 CD1 LEU A 90 19.086 1.895 -43.816 1.00 0.00 C ATOM 1444 CD2 LEU A 90 16.660 2.365 -44.221 1.00 0.00 C ATOM 0 H LEU A 90 16.895 1.623 -40.343 1.00 0.00 H new ATOM 0 HA LEU A 90 15.217 0.904 -42.563 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.112 0.327 -41.850 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.365 -0.161 -43.358 1.00 0.00 H new ATOM 0 HG LEU A 90 17.710 2.695 -42.395 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.326 2.866 -44.250 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.822 1.647 -43.051 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.103 1.134 -44.597 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.935 3.330 -44.646 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.615 1.619 -45.014 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.684 2.445 -43.742 1.00 0.00 H new ATOM 1456 N ARG A 91 14.816 -1.518 -42.333 1.00 0.00 N ATOM 1457 CA ARG A 91 14.476 -2.922 -42.172 1.00 0.00 C ATOM 1458 C ARG A 91 15.373 -3.752 -43.097 1.00 0.00 C ATOM 1459 O ARG A 91 16.421 -3.271 -43.534 1.00 0.00 O ATOM 1460 CB ARG A 91 12.983 -3.127 -42.491 1.00 0.00 C ATOM 1461 CG ARG A 91 12.414 -4.457 -42.008 1.00 0.00 C ATOM 1462 CD ARG A 91 10.914 -4.563 -42.243 1.00 0.00 C ATOM 1463 NE ARG A 91 10.543 -4.369 -43.648 1.00 0.00 N ATOM 1464 CZ ARG A 91 10.406 -5.358 -44.538 1.00 0.00 C ATOM 1465 NH1 ARG A 91 10.692 -6.611 -44.197 1.00 0.00 N ATOM 1466 NH2 ARG A 91 9.983 -5.090 -45.769 1.00 0.00 N ATOM 0 H ARG A 91 14.354 -1.063 -43.120 1.00 0.00 H new ATOM 0 HA ARG A 91 14.643 -3.247 -41.145 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.412 -2.316 -42.039 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.841 -3.055 -43.569 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.919 -5.274 -42.523 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.622 -4.574 -40.944 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.568 -5.542 -41.913 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.402 -3.821 -41.631 1.00 0.00 H new ATOM 0 HE ARG A 91 10.378 -3.415 -43.969 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.017 -6.821 -43.253 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.586 -7.362 -44.879 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.763 -4.130 -46.035 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.878 -5.844 -46.448 1.00 0.00 H new ATOM 1480 N LEU A 92 14.985 -4.994 -43.367 1.00 0.00 N ATOM 1481 CA LEU A 92 15.723 -5.849 -44.291 1.00 0.00 C ATOM 1482 C LEU A 92 15.838 -5.190 -45.665 1.00 0.00 C ATOM 1483 O LEU A 92 14.837 -5.004 -46.358 1.00 0.00 O ATOM 1484 CB LEU A 92 15.021 -7.205 -44.420 1.00 0.00 C ATOM 1485 CG LEU A 92 15.705 -8.210 -45.348 1.00 0.00 C ATOM 1486 CD1 LEU A 92 17.068 -8.607 -44.796 1.00 0.00 C ATOM 1487 CD2 LEU A 92 14.823 -9.435 -45.541 1.00 0.00 C ATOM 0 H LEU A 92 14.160 -5.433 -42.957 1.00 0.00 H new ATOM 0 HA LEU A 92 16.728 -5.998 -43.895 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.939 -7.649 -43.428 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.006 -7.037 -44.779 1.00 0.00 H new ATOM 0 HG LEU A 92 15.857 -7.739 -46.319 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.539 -9.323 -45.470 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.697 -7.721 -44.709 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.944 -9.062 -43.813 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.322 -10.142 -46.204 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.641 -9.908 -44.576 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.873 -9.133 -45.982 1.00 0.00 H new ATOM 1499 N ALA A 93 17.055 -4.825 -46.044 1.00 0.00 N ATOM 1500 CA ALA A 93 17.288 -4.165 -47.319 1.00 0.00 C ATOM 1501 C ALA A 93 17.315 -5.176 -48.459 1.00 0.00 C ATOM 1502 O ALA A 93 18.357 -5.755 -48.772 1.00 0.00 O ATOM 1503 CB ALA A 93 18.583 -3.360 -47.276 1.00 0.00 C ATOM 0 H ALA A 93 17.896 -4.975 -45.486 1.00 0.00 H new ATOM 0 HA ALA A 93 16.463 -3.477 -47.502 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.741 -2.873 -48.238 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.516 -2.604 -46.494 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.419 -4.027 -47.065 1.00 0.00 H new ATOM 1509 N SER A 94 16.158 -5.400 -49.058 1.00 0.00 N ATOM 1510 CA SER A 94 16.037 -6.322 -50.174 1.00 0.00 C ATOM 1511 C SER A 94 15.807 -5.538 -51.469 1.00 0.00 C ATOM 1512 O SER A 94 16.137 -4.351 -51.541 1.00 0.00 O ATOM 1513 CB SER A 94 14.883 -7.304 -49.912 1.00 0.00 C ATOM 1514 OG SER A 94 14.809 -8.303 -50.916 1.00 0.00 O ATOM 0 H SER A 94 15.283 -4.952 -48.787 1.00 0.00 H new ATOM 0 HA SER A 94 16.958 -6.895 -50.279 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.019 -7.775 -48.939 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.941 -6.757 -49.872 1.00 0.00 H new ATOM 0 HG SER A 94 15.711 -8.509 -51.240 1.00 0.00 H new ATOM 1520 N ALA A 95 15.270 -6.219 -52.488 1.00 0.00 N ATOM 1521 CA ALA A 95 14.941 -5.621 -53.788 1.00 0.00 C ATOM 1522 C ALA A 95 16.188 -5.310 -54.613 1.00 0.00 C ATOM 1523 O ALA A 95 16.317 -5.768 -55.748 1.00 0.00 O ATOM 1524 CB ALA A 95 14.084 -4.373 -53.618 1.00 0.00 C ATOM 0 H ALA A 95 15.049 -7.213 -52.433 1.00 0.00 H new ATOM 0 HA ALA A 95 14.364 -6.364 -54.339 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.856 -3.952 -54.597 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.156 -4.636 -53.111 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.626 -3.637 -53.024 1.00 0.00 H new ATOM 1530 N TYR A 96 17.109 -4.550 -54.037 1.00 0.00 N ATOM 1531 CA TYR A 96 18.317 -4.125 -54.743 1.00 0.00 C ATOM 1532 C TYR A 96 19.224 -5.314 -55.034 1.00 0.00 C ATOM 1533 O TYR A 96 20.077 -5.257 -55.920 1.00 0.00 O ATOM 1534 CB TYR A 96 19.065 -3.071 -53.928 1.00 0.00 C ATOM 1535 CG TYR A 96 18.175 -1.942 -53.458 1.00 0.00 C ATOM 1536 CD1 TYR A 96 17.438 -1.186 -54.364 1.00 0.00 C ATOM 1537 CD2 TYR A 96 18.045 -1.653 -52.106 1.00 0.00 C ATOM 1538 CE1 TYR A 96 16.611 -0.167 -53.935 1.00 0.00 C ATOM 1539 CE2 TYR A 96 17.215 -0.640 -51.670 1.00 0.00 C ATOM 1540 CZ TYR A 96 16.500 0.097 -52.589 1.00 0.00 C ATOM 1541 OH TYR A 96 15.658 1.095 -52.159 1.00 0.00 O ATOM 0 H TYR A 96 17.045 -4.212 -53.077 1.00 0.00 H new ATOM 0 HA TYR A 96 18.019 -3.685 -55.695 1.00 0.00 H new ATOM 0 HB2 TYR A 96 19.524 -3.548 -53.062 1.00 0.00 H new ATOM 0 HB3 TYR A 96 19.874 -2.660 -54.532 1.00 0.00 H new ATOM 0 HD1 TYR A 96 17.514 -1.400 -55.420 1.00 0.00 H new ATOM 0 HD2 TYR A 96 18.603 -2.231 -51.384 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.055 0.419 -54.651 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.126 -0.426 -50.615 1.00 0.00 H new ATOM 0 HH TYR A 96 15.693 1.154 -51.181 1.00 0.00 H new ATOM 1551 N PHE A 97 19.026 -6.391 -54.287 1.00 0.00 N ATOM 1552 CA PHE A 97 19.766 -7.628 -54.503 1.00 0.00 C ATOM 1553 C PHE A 97 18.811 -8.758 -54.863 1.00 0.00 C ATOM 1554 O PHE A 97 19.071 -9.925 -54.575 1.00 0.00 O ATOM 1555 CB PHE A 97 20.576 -7.992 -53.256 1.00 0.00 C ATOM 1556 CG PHE A 97 21.719 -7.054 -52.988 1.00 0.00 C ATOM 1557 CD1 PHE A 97 22.923 -7.205 -53.656 1.00 0.00 C ATOM 1558 CD2 PHE A 97 21.589 -6.025 -52.072 1.00 0.00 C ATOM 1559 CE1 PHE A 97 23.978 -6.344 -53.415 1.00 0.00 C ATOM 1560 CE2 PHE A 97 22.639 -5.160 -51.824 1.00 0.00 C ATOM 1561 CZ PHE A 97 23.834 -5.319 -52.496 1.00 0.00 C ATOM 0 H PHE A 97 18.354 -6.433 -53.521 1.00 0.00 H new ATOM 0 HA PHE A 97 20.458 -7.478 -55.332 1.00 0.00 H new ATOM 0 HB2 PHE A 97 19.913 -8.000 -52.391 1.00 0.00 H new ATOM 0 HB3 PHE A 97 20.966 -9.004 -53.368 1.00 0.00 H new ATOM 0 HD1 PHE A 97 23.039 -8.004 -54.373 1.00 0.00 H new ATOM 0 HD2 PHE A 97 20.656 -5.896 -51.544 1.00 0.00 H new ATOM 0 HE1 PHE A 97 24.912 -6.471 -53.942 1.00 0.00 H new ATOM 0 HE2 PHE A 97 22.524 -4.362 -51.106 1.00 0.00 H new ATOM 0 HZ PHE A 97 24.656 -4.645 -52.305 1.00 0.00 H new ATOM 1571 N ALA A 98 17.708 -8.398 -55.509 1.00 0.00 N ATOM 1572 CA ALA A 98 16.698 -9.371 -55.906 1.00 0.00 C ATOM 1573 C ALA A 98 16.312 -9.190 -57.372 1.00 0.00 C ATOM 1574 O ALA A 98 15.342 -9.780 -57.850 1.00 0.00 O ATOM 1575 CB ALA A 98 15.471 -9.238 -55.018 1.00 0.00 C ATOM 0 H ALA A 98 17.490 -7.436 -55.770 1.00 0.00 H new ATOM 0 HA ALA A 98 17.118 -10.370 -55.787 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.721 -9.969 -55.322 1.00 0.00 H new ATOM 0 HB2 ALA A 98 15.752 -9.416 -53.980 1.00 0.00 H new ATOM 0 HB3 ALA A 98 15.059 -8.234 -55.115 1.00 0.00 H new ATOM 1581 N LYS A 99 17.089 -8.390 -58.091 1.00 0.00 N ATOM 1582 CA LYS A 99 16.780 -8.066 -59.478 1.00 0.00 C ATOM 1583 C LYS A 99 17.683 -8.841 -60.431 1.00 0.00 C ATOM 1584 O LYS A 99 17.800 -8.475 -61.606 1.00 0.00 O ATOM 1585 CB LYS A 99 16.957 -6.566 -59.714 1.00 0.00 C ATOM 1586 CG LYS A 99 15.992 -5.695 -58.928 1.00 0.00 C ATOM 1587 CD LYS A 99 16.280 -4.217 -59.149 1.00 0.00 C ATOM 1588 CE LYS A 99 17.647 -3.824 -58.602 1.00 0.00 C ATOM 1589 NZ LYS A 99 18.025 -2.439 -58.992 1.00 0.00 N ATOM 0 H LYS A 99 17.939 -7.953 -57.736 1.00 0.00 H new ATOM 0 HA LYS A 99 15.745 -8.348 -59.672 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.977 -6.286 -59.452 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.832 -6.359 -60.777 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.969 -5.918 -59.230 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.069 -5.929 -57.866 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.236 -3.992 -60.215 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.508 -3.619 -58.665 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.640 -3.906 -57.515 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.399 -4.522 -58.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.961 -2.211 -58.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.057 -2.367 -60.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.322 -1.769 -58.620 1.00 0.00 H new ATOM 1603 N ALA A 100 18.304 -9.904 -59.912 1.00 0.00 N ATOM 1604 CA ALA A 100 19.241 -10.737 -60.671 1.00 0.00 C ATOM 1605 C ALA A 100 20.524 -9.972 -60.977 1.00 0.00 C ATOM 1606 O ALA A 100 20.596 -9.198 -61.932 1.00 0.00 O ATOM 1607 CB ALA A 100 18.610 -11.272 -61.954 1.00 0.00 C ATOM 0 H ALA A 100 18.170 -10.212 -58.949 1.00 0.00 H new ATOM 0 HA ALA A 100 19.493 -11.595 -60.047 1.00 0.00 H new ATOM 0 HB1 ALA A 100 19.336 -11.885 -62.489 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.738 -11.877 -61.706 1.00 0.00 H new ATOM 0 HB3 ALA A 100 18.305 -10.437 -62.585 1.00 0.00 H new ATOM 1613 N GLU A 101 21.529 -10.192 -60.147 1.00 0.00 N ATOM 1614 CA GLU A 101 22.792 -9.476 -60.261 1.00 0.00 C ATOM 1615 C GLU A 101 23.554 -9.922 -61.503 1.00 0.00 C ATOM 1616 O GLU A 101 23.455 -11.075 -61.930 1.00 0.00 O ATOM 1617 CB GLU A 101 23.670 -9.699 -59.020 1.00 0.00 C ATOM 1618 CG GLU A 101 23.054 -9.222 -57.712 1.00 0.00 C ATOM 1619 CD GLU A 101 21.878 -10.069 -57.276 1.00 0.00 C ATOM 1620 OE1 GLU A 101 22.074 -11.277 -57.023 1.00 0.00 O ATOM 1621 OE2 GLU A 101 20.753 -9.539 -57.204 1.00 0.00 O ATOM 0 H GLU A 101 21.496 -10.865 -59.381 1.00 0.00 H new ATOM 0 HA GLU A 101 22.559 -8.414 -60.342 1.00 0.00 H new ATOM 0 HB2 GLU A 101 23.892 -10.763 -58.935 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.620 -9.186 -59.167 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.815 -9.235 -56.931 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.729 -8.188 -57.824 1.00 0.00 H new ATOM 1628 N PHE A 102 24.303 -9.003 -62.085 1.00 0.00 N ATOM 1629 CA PHE A 102 25.163 -9.324 -63.210 1.00 0.00 C ATOM 1630 C PHE A 102 26.580 -9.558 -62.696 1.00 0.00 C ATOM 1631 O PHE A 102 26.878 -9.234 -61.546 1.00 0.00 O ATOM 1632 CB PHE A 102 25.142 -8.188 -64.234 1.00 0.00 C ATOM 1633 CG PHE A 102 24.933 -8.654 -65.646 1.00 0.00 C ATOM 1634 CD1 PHE A 102 26.008 -9.003 -66.443 1.00 0.00 C ATOM 1635 CD2 PHE A 102 23.656 -8.735 -66.176 1.00 0.00 C ATOM 1636 CE1 PHE A 102 25.815 -9.430 -67.742 1.00 0.00 C ATOM 1637 CE2 PHE A 102 23.457 -9.161 -67.473 1.00 0.00 C ATOM 1638 CZ PHE A 102 24.537 -9.507 -68.258 1.00 0.00 C ATOM 0 H PHE A 102 24.333 -8.025 -61.796 1.00 0.00 H new ATOM 0 HA PHE A 102 24.803 -10.227 -63.703 1.00 0.00 H new ATOM 0 HB2 PHE A 102 24.350 -7.487 -63.971 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.083 -7.641 -64.176 1.00 0.00 H new ATOM 0 HD1 PHE A 102 27.010 -8.941 -66.045 1.00 0.00 H new ATOM 0 HD2 PHE A 102 22.807 -8.462 -65.567 1.00 0.00 H new ATOM 0 HE1 PHE A 102 26.662 -9.703 -68.353 1.00 0.00 H new ATOM 0 HE2 PHE A 102 22.456 -9.224 -67.873 1.00 0.00 H new ATOM 0 HZ PHE A 102 24.383 -9.838 -69.275 1.00 0.00 H new ATOM 1648 N ASP A 103 27.445 -10.119 -63.531 1.00 0.00 N ATOM 1649 CA ASP A 103 28.812 -10.412 -63.112 1.00 0.00 C ATOM 1650 C ASP A 103 29.621 -9.123 -63.012 1.00 0.00 C ATOM 1651 O ASP A 103 29.530 -8.248 -63.875 1.00 0.00 O ATOM 1652 CB ASP A 103 29.491 -11.400 -64.071 1.00 0.00 C ATOM 1653 CG ASP A 103 29.851 -10.791 -65.413 1.00 0.00 C ATOM 1654 OD1 ASP A 103 28.940 -10.569 -66.238 1.00 0.00 O ATOM 1655 OD2 ASP A 103 31.052 -10.538 -65.650 1.00 0.00 O ATOM 0 H ASP A 103 27.229 -10.379 -64.493 1.00 0.00 H new ATOM 0 HA ASP A 103 28.770 -10.880 -62.128 1.00 0.00 H new ATOM 0 HB2 ASP A 103 30.396 -11.786 -63.602 1.00 0.00 H new ATOM 0 HB3 ASP A 103 28.829 -12.250 -64.233 1.00 0.00 H new ATOM 1660 N ARG A 104 30.383 -8.997 -61.937 1.00 0.00 N ATOM 1661 CA ARG A 104 31.202 -7.819 -61.719 1.00 0.00 C ATOM 1662 C ARG A 104 32.542 -8.217 -61.117 1.00 0.00 C ATOM 1663 O ARG A 104 32.632 -9.189 -60.368 1.00 0.00 O ATOM 1664 CB ARG A 104 30.490 -6.837 -60.785 1.00 0.00 C ATOM 1665 CG ARG A 104 31.102 -5.449 -60.788 1.00 0.00 C ATOM 1666 CD ARG A 104 30.544 -4.583 -59.673 1.00 0.00 C ATOM 1667 NE ARG A 104 30.910 -3.182 -59.856 1.00 0.00 N ATOM 1668 CZ ARG A 104 32.057 -2.638 -59.451 1.00 0.00 C ATOM 1669 NH1 ARG A 104 32.997 -3.380 -58.867 1.00 0.00 N ATOM 1670 NH2 ARG A 104 32.266 -1.344 -59.651 1.00 0.00 N ATOM 0 H ARG A 104 30.450 -9.700 -61.201 1.00 0.00 H new ATOM 0 HA ARG A 104 31.369 -7.334 -62.681 1.00 0.00 H new ATOM 0 HB2 ARG A 104 29.442 -6.764 -61.077 1.00 0.00 H new ATOM 0 HB3 ARG A 104 30.511 -7.233 -59.770 1.00 0.00 H new ATOM 0 HG2 ARG A 104 32.184 -5.529 -60.679 1.00 0.00 H new ATOM 0 HG3 ARG A 104 30.913 -4.971 -61.749 1.00 0.00 H new ATOM 0 HD2 ARG A 104 29.458 -4.677 -59.645 1.00 0.00 H new ATOM 0 HD3 ARG A 104 30.919 -4.937 -58.713 1.00 0.00 H new ATOM 0 HE ARG A 104 30.239 -2.576 -60.328 1.00 0.00 H new ATOM 0 HH11 ARG A 104 32.844 -4.378 -58.725 1.00 0.00 H new ATOM 0 HH12 ARG A 104 33.870 -2.950 -58.562 1.00 0.00 H new ATOM 0 HH21 ARG A 104 31.553 -0.777 -60.110 1.00 0.00 H new ATOM 0 HH22 ARG A 104 33.140 -0.915 -59.346 1.00 0.00 H new ATOM 1684 N LEU A 105 33.581 -7.478 -61.456 1.00 0.00 N ATOM 1685 CA LEU A 105 34.899 -7.714 -60.896 1.00 0.00 C ATOM 1686 C LEU A 105 35.328 -6.498 -60.075 1.00 0.00 C ATOM 1687 O LEU A 105 34.671 -5.455 -60.113 1.00 0.00 O ATOM 1688 CB LEU A 105 35.904 -7.984 -62.021 1.00 0.00 C ATOM 1689 CG LEU A 105 37.284 -8.473 -61.571 1.00 0.00 C ATOM 1690 CD1 LEU A 105 37.172 -9.811 -60.860 1.00 0.00 C ATOM 1691 CD2 LEU A 105 38.225 -8.578 -62.761 1.00 0.00 C ATOM 0 H LEU A 105 33.538 -6.705 -62.120 1.00 0.00 H new ATOM 0 HA LEU A 105 34.867 -8.588 -60.245 1.00 0.00 H new ATOM 0 HB2 LEU A 105 35.477 -8.727 -62.695 1.00 0.00 H new ATOM 0 HB3 LEU A 105 36.033 -7.067 -62.597 1.00 0.00 H new ATOM 0 HG LEU A 105 37.694 -7.746 -60.870 1.00 0.00 H new ATOM 0 HD11 LEU A 105 38.163 -10.141 -60.548 1.00 0.00 H new ATOM 0 HD12 LEU A 105 36.532 -9.705 -59.984 1.00 0.00 H new ATOM 0 HD13 LEU A 105 36.740 -10.548 -61.537 1.00 0.00 H new ATOM 0 HD21 LEU A 105 39.201 -8.927 -62.423 1.00 0.00 H new ATOM 0 HD22 LEU A 105 37.818 -9.284 -63.485 1.00 0.00 H new ATOM 0 HD23 LEU A 105 38.331 -7.599 -63.228 1.00 0.00 H new ATOM 1703 N TRP A 106 36.412 -6.631 -59.329 1.00 0.00 N ATOM 1704 CA TRP A 106 36.929 -5.525 -58.540 1.00 0.00 C ATOM 1705 C TRP A 106 37.881 -4.677 -59.375 1.00 0.00 C ATOM 1706 O TRP A 106 38.830 -5.193 -59.967 1.00 0.00 O ATOM 1707 CB TRP A 106 37.643 -6.040 -57.284 1.00 0.00 C ATOM 1708 CG TRP A 106 36.743 -6.798 -56.356 1.00 0.00 C ATOM 1709 CD1 TRP A 106 36.794 -8.132 -56.069 1.00 0.00 C ATOM 1710 CD2 TRP A 106 35.648 -6.266 -55.601 1.00 0.00 C ATOM 1711 NE1 TRP A 106 35.804 -8.459 -55.175 1.00 0.00 N ATOM 1712 CE2 TRP A 106 35.085 -7.332 -54.875 1.00 0.00 C ATOM 1713 CE3 TRP A 106 35.090 -4.990 -55.466 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 33.993 -7.160 -54.028 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 34.006 -4.822 -54.625 1.00 0.00 C ATOM 1716 CH2 TRP A 106 33.467 -5.902 -53.916 1.00 0.00 C ATOM 0 H TRP A 106 36.951 -7.494 -59.253 1.00 0.00 H new ATOM 0 HA TRP A 106 36.087 -4.906 -58.229 1.00 0.00 H new ATOM 0 HB2 TRP A 106 38.469 -6.684 -57.583 1.00 0.00 H new ATOM 0 HB3 TRP A 106 38.076 -5.195 -56.749 1.00 0.00 H new ATOM 0 HD1 TRP A 106 37.508 -8.828 -56.484 1.00 0.00 H new ATOM 0 HE1 TRP A 106 35.632 -9.390 -54.796 1.00 0.00 H new ATOM 0 HE3 TRP A 106 35.499 -4.151 -56.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 33.576 -7.991 -53.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 33.568 -3.841 -54.513 1.00 0.00 H new ATOM 0 HH2 TRP A 106 32.619 -5.739 -53.268 1.00 0.00 H new ATOM 1727 N LYS A 107 37.626 -3.377 -59.411 1.00 0.00 N ATOM 1728 CA LYS A 107 38.424 -2.449 -60.207 1.00 0.00 C ATOM 1729 C LYS A 107 39.632 -1.945 -59.418 1.00 0.00 C ATOM 1730 O LYS A 107 40.206 -0.899 -59.733 1.00 0.00 O ATOM 1731 CB LYS A 107 37.557 -1.269 -60.646 1.00 0.00 C ATOM 1732 CG LYS A 107 36.390 -1.667 -61.532 1.00 0.00 C ATOM 1733 CD LYS A 107 36.860 -2.168 -62.887 1.00 0.00 C ATOM 1734 CE LYS A 107 35.698 -2.694 -63.710 1.00 0.00 C ATOM 1735 NZ LYS A 107 36.113 -3.094 -65.079 1.00 0.00 N ATOM 0 H LYS A 107 36.866 -2.936 -58.894 1.00 0.00 H new ATOM 0 HA LYS A 107 38.791 -2.978 -61.086 1.00 0.00 H new ATOM 0 HB2 LYS A 107 37.173 -0.762 -59.761 1.00 0.00 H new ATOM 0 HB3 LYS A 107 38.179 -0.551 -61.180 1.00 0.00 H new ATOM 0 HG2 LYS A 107 35.807 -2.445 -61.039 1.00 0.00 H new ATOM 0 HG3 LYS A 107 35.729 -0.811 -61.669 1.00 0.00 H new ATOM 0 HD2 LYS A 107 37.354 -1.359 -63.426 1.00 0.00 H new ATOM 0 HD3 LYS A 107 37.599 -2.958 -62.750 1.00 0.00 H new ATOM 0 HE2 LYS A 107 35.254 -3.550 -63.202 1.00 0.00 H new ATOM 0 HE3 LYS A 107 34.926 -1.927 -63.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 35.287 -3.446 -65.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 36.513 -2.272 -65.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 36.831 -3.844 -65.019 1.00 0.00 H new ATOM 1749 N LYS A 108 40.016 -2.707 -58.404 1.00 0.00 N ATOM 1750 CA LYS A 108 41.137 -2.352 -57.548 1.00 0.00 C ATOM 1751 C LYS A 108 42.430 -2.983 -58.064 1.00 0.00 C ATOM 1752 O LYS A 108 42.569 -4.221 -57.990 1.00 0.00 O ATOM 1753 CB LYS A 108 40.856 -2.778 -56.101 1.00 0.00 C ATOM 1754 CG LYS A 108 40.415 -4.228 -55.954 1.00 0.00 C ATOM 1755 CD LYS A 108 40.122 -4.584 -54.505 1.00 0.00 C ATOM 1756 CE LYS A 108 38.910 -3.839 -53.961 1.00 0.00 C ATOM 1757 NZ LYS A 108 38.603 -4.236 -52.560 1.00 0.00 N ATOM 1758 OXT LYS A 108 43.299 -2.239 -58.565 1.00 0.00 O ATOM 0 H LYS A 108 39.561 -3.585 -58.153 1.00 0.00 H new ATOM 0 HA LYS A 108 41.262 -1.269 -57.568 1.00 0.00 H new ATOM 0 HB2 LYS A 108 41.756 -2.621 -55.506 1.00 0.00 H new ATOM 0 HB3 LYS A 108 40.083 -2.131 -55.687 1.00 0.00 H new ATOM 0 HG2 LYS A 108 39.524 -4.400 -56.558 1.00 0.00 H new ATOM 0 HG3 LYS A 108 41.194 -4.886 -56.340 1.00 0.00 H new ATOM 0 HD2 LYS A 108 39.952 -5.658 -54.424 1.00 0.00 H new ATOM 0 HD3 LYS A 108 40.993 -4.352 -53.893 1.00 0.00 H new ATOM 0 HE2 LYS A 108 39.094 -2.765 -54.003 1.00 0.00 H new ATOM 0 HE3 LYS A 108 38.045 -4.039 -54.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 37.772 -3.708 -52.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 38.403 -5.256 -52.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 39.419 -4.021 -51.952 1.00 0.00 H new TER 1772 LYS A 108