USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 50 ASN : amide:sc= -0.315 X(o=-0.16,f=-0.17) USER MOD Set 1.2: A 53 THR OG1 : rot -131:sc= 0.151 USER MOD Single : A 3 ASN : amide:sc= 0.439 K(o=0.44,f=-5.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 SER OG : rot -27:sc= 0.613 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -115:sc= -0.187 USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0274) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00329) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00335 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 161:sc= -0.0164 (180deg=-0.531) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 62 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.278 -22.926 -0.990 1.00 14.21 N ATOM 2 CA PRO A 1 4.453 -21.732 -0.782 1.00 54.01 C ATOM 3 C PRO A 1 5.209 -20.624 -0.058 1.00 11.34 C ATOM 4 O PRO A 1 6.335 -20.823 0.397 1.00 4.22 O ATOM 5 CB PRO A 1 3.298 -22.245 0.082 1.00 11.21 C ATOM 6 CG PRO A 1 3.853 -23.432 0.791 1.00 43.42 C ATOM 7 CD PRO A 1 4.836 -24.059 -0.159 1.00 3.52 C ATOM 0 H2 PRO A 1 6.251 -22.707 -0.774 1.00 14.21 H new ATOM 0 H3 PRO A 1 5.244 -23.194 -1.974 1.00 14.21 H new ATOM 0 HA PRO A 1 4.133 -21.288 -1.725 1.00 54.01 H new ATOM 0 HB2 PRO A 1 2.963 -21.484 0.787 1.00 11.21 H new ATOM 0 HB3 PRO A 1 2.437 -22.516 -0.529 1.00 11.21 H new ATOM 0 HG2 PRO A 1 4.341 -23.139 1.720 1.00 43.42 H new ATOM 0 HG3 PRO A 1 3.062 -24.134 1.054 1.00 43.42 H new ATOM 0 HD2 PRO A 1 5.670 -24.518 0.371 1.00 3.52 H new ATOM 0 HD3 PRO A 1 4.371 -24.841 -0.760 1.00 3.52 H new ATOM 15 N ARG A 2 4.582 -19.456 0.047 1.00 62.44 N ATOM 16 CA ARG A 2 5.197 -18.316 0.716 1.00 60.25 C ATOM 17 C ARG A 2 4.890 -18.333 2.210 1.00 2.52 C ATOM 18 O ARG A 2 3.805 -17.939 2.635 1.00 2.53 O ATOM 19 CB ARG A 2 4.703 -17.007 0.097 1.00 74.32 C ATOM 20 CG ARG A 2 5.459 -15.781 0.580 1.00 23.14 C ATOM 21 CD ARG A 2 4.631 -14.516 0.419 1.00 42.12 C ATOM 22 NE ARG A 2 4.717 -13.975 -0.935 1.00 2.31 N ATOM 23 CZ ARG A 2 3.886 -13.055 -1.413 1.00 21.30 C ATOM 24 NH1 ARG A 2 2.912 -12.577 -0.651 1.00 42.10 N ATOM 25 NH2 ARG A 2 4.029 -12.612 -2.656 1.00 34.24 N ATOM 0 H ARG A 2 3.649 -19.275 -0.323 1.00 62.44 H new ATOM 0 HA ARG A 2 6.277 -18.387 0.584 1.00 60.25 H new ATOM 0 HB2 ARG A 2 4.789 -17.073 -0.988 1.00 74.32 H new ATOM 0 HB3 ARG A 2 3.644 -16.884 0.325 1.00 74.32 H new ATOM 0 HG2 ARG A 2 5.730 -15.909 1.628 1.00 23.14 H new ATOM 0 HG3 ARG A 2 6.389 -15.682 0.020 1.00 23.14 H new ATOM 0 HD2 ARG A 2 3.590 -14.731 0.658 1.00 42.12 H new ATOM 0 HD3 ARG A 2 4.973 -13.766 1.132 1.00 42.12 H new ATOM 0 HE ARG A 2 5.455 -14.322 -1.547 1.00 2.31 H new ATOM 0 HH11 ARG A 2 2.799 -12.915 0.305 1.00 42.10 H new ATOM 0 HH12 ARG A 2 2.275 -11.871 -1.020 1.00 42.10 H new ATOM 0 HH21 ARG A 2 4.777 -12.978 -3.245 1.00 34.24 H new ATOM 0 HH22 ARG A 2 3.391 -11.906 -3.022 1.00 34.24 H new ATOM 39 N ASN A 3 5.854 -18.792 3.002 1.00 50.21 N ATOM 40 CA ASN A 3 5.686 -18.861 4.449 1.00 45.40 C ATOM 41 C ASN A 3 5.399 -17.479 5.030 1.00 60.43 C ATOM 42 O ASN A 3 5.942 -16.474 4.569 1.00 32.34 O ATOM 43 CB ASN A 3 6.939 -19.450 5.101 1.00 41.32 C ATOM 44 CG ASN A 3 6.637 -20.135 6.419 1.00 32.14 C ATOM 45 OD1 ASN A 3 6.205 -19.496 7.379 1.00 21.41 O ATOM 46 ND2 ASN A 3 6.863 -21.443 6.472 1.00 44.42 N ATOM 0 H ASN A 3 6.759 -19.121 2.666 1.00 50.21 H new ATOM 0 HA ASN A 3 4.835 -19.509 4.661 1.00 45.40 H new ATOM 0 HB2 ASN A 3 7.398 -20.166 4.419 1.00 41.32 H new ATOM 0 HB3 ASN A 3 7.667 -18.656 5.266 1.00 41.32 H new ATOM 0 HD21 ASN A 3 6.678 -21.958 7.333 1.00 44.42 H new ATOM 0 HD22 ASN A 3 7.221 -21.932 5.652 1.00 44.42 H new ATOM 53 N THR A 4 4.542 -17.437 6.045 1.00 54.22 N ATOM 54 CA THR A 4 4.181 -16.180 6.689 1.00 61.04 C ATOM 55 C THR A 4 5.297 -15.692 7.605 1.00 43.54 C ATOM 56 O THR A 4 5.502 -14.488 7.762 1.00 12.21 O ATOM 57 CB THR A 4 2.884 -16.320 7.508 1.00 24.31 C ATOM 58 OG1 THR A 4 1.835 -16.836 6.681 1.00 43.52 O ATOM 59 CG2 THR A 4 2.465 -14.979 8.091 1.00 20.31 C ATOM 0 H THR A 4 4.085 -18.259 6.439 1.00 54.22 H new ATOM 0 HA THR A 4 4.022 -15.452 5.894 1.00 61.04 H new ATOM 0 HB THR A 4 3.072 -17.012 8.329 1.00 24.31 H new ATOM 0 HG1 THR A 4 1.015 -16.924 7.210 1.00 43.52 H new ATOM 0 HG21 THR A 4 1.547 -15.103 8.665 1.00 20.31 H new ATOM 0 HG22 THR A 4 3.253 -14.604 8.744 1.00 20.31 H new ATOM 0 HG23 THR A 4 2.294 -14.268 7.283 1.00 20.31 H new ATOM 67 N ARG A 5 6.017 -16.633 8.206 1.00 3.22 N ATOM 68 CA ARG A 5 7.113 -16.297 9.107 1.00 22.34 C ATOM 69 C ARG A 5 8.399 -16.041 8.327 1.00 3.54 C ATOM 70 O ARG A 5 9.104 -15.064 8.579 1.00 11.30 O ATOM 71 CB ARG A 5 7.334 -17.424 10.118 1.00 35.13 C ATOM 72 CG ARG A 5 6.540 -17.253 11.403 1.00 31.33 C ATOM 73 CD ARG A 5 5.153 -17.867 11.288 1.00 64.05 C ATOM 74 NE ARG A 5 5.167 -19.304 11.550 1.00 0.53 N ATOM 75 CZ ARG A 5 4.092 -20.078 11.458 1.00 54.21 C ATOM 76 NH1 ARG A 5 2.923 -19.556 11.110 1.00 21.45 N ATOM 77 NH2 ARG A 5 4.184 -21.377 11.713 1.00 51.33 N ATOM 0 H ARG A 5 5.861 -17.634 8.086 1.00 3.22 H new ATOM 0 HA ARG A 5 6.844 -15.386 9.641 1.00 22.34 H new ATOM 0 HB2 ARG A 5 7.062 -18.373 9.656 1.00 35.13 H new ATOM 0 HB3 ARG A 5 8.395 -17.480 10.361 1.00 35.13 H new ATOM 0 HG2 ARG A 5 7.078 -17.719 12.229 1.00 31.33 H new ATOM 0 HG3 ARG A 5 6.451 -16.192 11.638 1.00 31.33 H new ATOM 0 HD2 ARG A 5 4.480 -17.377 11.992 1.00 64.05 H new ATOM 0 HD3 ARG A 5 4.757 -17.685 10.289 1.00 64.05 H new ATOM 0 HE ARG A 5 6.051 -19.737 11.818 1.00 0.53 H new ATOM 0 HH11 ARG A 5 2.849 -18.558 10.912 1.00 21.45 H new ATOM 0 HH12 ARG A 5 2.099 -20.153 11.040 1.00 21.45 H new ATOM 0 HH21 ARG A 5 5.081 -21.782 11.980 1.00 51.33 H new ATOM 0 HH22 ARG A 5 3.357 -21.970 11.642 1.00 51.33 H new ATOM 91 N GLU A 6 8.698 -16.925 7.381 1.00 52.23 N ATOM 92 CA GLU A 6 9.900 -16.794 6.566 1.00 53.24 C ATOM 93 C GLU A 6 9.570 -16.192 5.203 1.00 51.33 C ATOM 94 O GLU A 6 9.782 -16.820 4.166 1.00 65.42 O ATOM 95 CB GLU A 6 10.571 -18.157 6.384 1.00 10.22 C ATOM 96 CG GLU A 6 11.355 -18.616 7.602 1.00 43.20 C ATOM 97 CD GLU A 6 12.777 -18.088 7.613 1.00 31.41 C ATOM 98 OE1 GLU A 6 13.063 -17.140 6.852 1.00 21.04 O ATOM 99 OE2 GLU A 6 13.603 -18.623 8.382 1.00 71.55 O ATOM 0 H GLU A 6 8.125 -17.739 7.160 1.00 52.23 H new ATOM 0 HA GLU A 6 10.587 -16.125 7.083 1.00 53.24 H new ATOM 0 HB2 GLU A 6 9.808 -18.900 6.152 1.00 10.22 H new ATOM 0 HB3 GLU A 6 11.242 -18.111 5.526 1.00 10.22 H new ATOM 0 HG2 GLU A 6 10.842 -18.286 8.505 1.00 43.20 H new ATOM 0 HG3 GLU A 6 11.376 -19.706 7.627 1.00 43.20 H new ATOM 106 N VAL A 7 9.048 -14.969 5.213 1.00 23.00 N ATOM 107 CA VAL A 7 8.689 -14.281 3.979 1.00 41.30 C ATOM 108 C VAL A 7 9.842 -14.303 2.982 1.00 71.14 C ATOM 109 O VAL A 7 9.628 -14.316 1.769 1.00 31.22 O ATOM 110 CB VAL A 7 8.286 -12.819 4.249 1.00 43.34 C ATOM 111 CG1 VAL A 7 6.928 -12.756 4.930 1.00 52.12 C ATOM 112 CG2 VAL A 7 9.346 -12.121 5.088 1.00 13.20 C ATOM 0 H VAL A 7 8.865 -14.435 6.062 1.00 23.00 H new ATOM 0 HA VAL A 7 7.837 -14.813 3.556 1.00 41.30 H new ATOM 0 HB VAL A 7 8.210 -12.299 3.294 1.00 43.34 H new ATOM 0 HG11 VAL A 7 6.660 -11.715 5.113 1.00 52.12 H new ATOM 0 HG12 VAL A 7 6.177 -13.216 4.288 1.00 52.12 H new ATOM 0 HG13 VAL A 7 6.971 -13.291 5.879 1.00 52.12 H new ATOM 0 HG21 VAL A 7 9.045 -11.089 5.269 1.00 13.20 H new ATOM 0 HG22 VAL A 7 9.456 -12.640 6.040 1.00 13.20 H new ATOM 0 HG23 VAL A 7 10.297 -12.134 4.556 1.00 13.20 H new ATOM 122 N PHE A 8 11.065 -14.308 3.500 1.00 25.00 N ATOM 123 CA PHE A 8 12.254 -14.328 2.655 1.00 73.51 C ATOM 124 C PHE A 8 12.202 -15.494 1.672 1.00 72.23 C ATOM 125 O PHE A 8 12.735 -15.411 0.566 1.00 61.43 O ATOM 126 CB PHE A 8 13.515 -14.428 3.515 1.00 44.32 C ATOM 127 CG PHE A 8 13.685 -13.278 4.466 1.00 54.41 C ATOM 128 CD1 PHE A 8 13.907 -11.995 3.991 1.00 61.34 C ATOM 129 CD2 PHE A 8 13.622 -13.479 5.835 1.00 13.14 C ATOM 130 CE1 PHE A 8 14.063 -10.935 4.863 1.00 12.41 C ATOM 131 CE2 PHE A 8 13.776 -12.422 6.713 1.00 62.14 C ATOM 132 CZ PHE A 8 13.998 -11.149 6.226 1.00 43.31 C ATOM 0 H PHE A 8 11.260 -14.298 4.501 1.00 25.00 H new ATOM 0 HA PHE A 8 12.282 -13.398 2.088 1.00 73.51 H new ATOM 0 HB2 PHE A 8 13.485 -15.358 4.083 1.00 44.32 H new ATOM 0 HB3 PHE A 8 14.387 -14.482 2.863 1.00 44.32 H new ATOM 0 HD1 PHE A 8 13.959 -11.822 2.926 1.00 61.34 H new ATOM 0 HD2 PHE A 8 13.451 -14.473 6.221 1.00 13.14 H new ATOM 0 HE1 PHE A 8 14.236 -9.940 4.479 1.00 12.41 H new ATOM 0 HE2 PHE A 8 13.723 -12.592 7.778 1.00 62.14 H new ATOM 0 HZ PHE A 8 14.121 -10.322 6.910 1.00 43.31 H new ATOM 142 N ALA A 9 11.556 -16.580 2.084 1.00 11.01 N ATOM 143 CA ALA A 9 11.433 -17.762 1.240 1.00 34.13 C ATOM 144 C ALA A 9 10.719 -17.432 -0.066 1.00 71.02 C ATOM 145 O ALA A 9 10.840 -18.161 -1.050 1.00 53.35 O ATOM 146 CB ALA A 9 10.694 -18.866 1.983 1.00 43.10 C ATOM 0 H ALA A 9 11.110 -16.666 2.997 1.00 11.01 H new ATOM 0 HA ALA A 9 12.437 -18.111 0.997 1.00 34.13 H new ATOM 0 HB1 ALA A 9 10.609 -19.743 1.341 1.00 43.10 H new ATOM 0 HB2 ALA A 9 11.245 -19.129 2.886 1.00 43.10 H new ATOM 0 HB3 ALA A 9 9.698 -18.518 2.255 1.00 43.10 H new ATOM 152 N GLN A 10 9.976 -16.330 -0.067 1.00 75.21 N ATOM 153 CA GLN A 10 9.241 -15.906 -1.253 1.00 44.52 C ATOM 154 C GLN A 10 10.167 -15.812 -2.462 1.00 31.42 C ATOM 155 O GLN A 10 9.754 -16.066 -3.594 1.00 3.33 O ATOM 156 CB GLN A 10 8.569 -14.554 -1.006 1.00 33.23 C ATOM 157 CG GLN A 10 9.541 -13.386 -0.979 1.00 23.20 C ATOM 158 CD GLN A 10 8.907 -12.111 -0.460 1.00 4.24 C ATOM 159 OE1 GLN A 10 7.846 -11.697 -0.926 1.00 52.22 O ATOM 160 NE2 GLN A 10 9.557 -11.480 0.512 1.00 54.11 N ATOM 0 H GLN A 10 9.867 -15.715 0.739 1.00 75.21 H new ATOM 0 HA GLN A 10 8.475 -16.653 -1.461 1.00 44.52 H new ATOM 0 HB2 GLN A 10 7.826 -14.380 -1.784 1.00 33.23 H new ATOM 0 HB3 GLN A 10 8.034 -14.592 -0.057 1.00 33.23 H new ATOM 0 HG2 GLN A 10 10.395 -13.644 -0.353 1.00 23.20 H new ATOM 0 HG3 GLN A 10 9.924 -13.214 -1.985 1.00 23.20 H new ATOM 0 HE21 GLN A 10 10.434 -11.859 0.869 1.00 54.11 H new ATOM 0 HE22 GLN A 10 9.179 -10.616 0.902 1.00 54.11 H new ATOM 169 N VAL A 11 11.421 -15.447 -2.214 1.00 53.12 N ATOM 170 CA VAL A 11 12.405 -15.321 -3.282 1.00 44.20 C ATOM 171 C VAL A 11 12.768 -16.685 -3.859 1.00 4.35 C ATOM 172 O VAL A 11 13.101 -16.804 -5.038 1.00 32.30 O ATOM 173 CB VAL A 11 13.688 -14.628 -2.784 1.00 71.30 C ATOM 174 CG1 VAL A 11 13.360 -13.278 -2.165 1.00 40.15 C ATOM 175 CG2 VAL A 11 14.420 -15.516 -1.789 1.00 62.01 C ATOM 0 H VAL A 11 11.779 -15.234 -1.283 1.00 53.12 H new ATOM 0 HA VAL A 11 11.950 -14.710 -4.061 1.00 44.20 H new ATOM 0 HB VAL A 11 14.344 -14.459 -3.638 1.00 71.30 H new ATOM 0 HG11 VAL A 11 14.278 -12.804 -1.819 1.00 40.15 H new ATOM 0 HG12 VAL A 11 12.882 -12.643 -2.910 1.00 40.15 H new ATOM 0 HG13 VAL A 11 12.684 -13.419 -1.321 1.00 40.15 H new ATOM 0 HG21 VAL A 11 15.324 -15.011 -1.447 1.00 62.01 H new ATOM 0 HG22 VAL A 11 13.772 -15.717 -0.936 1.00 62.01 H new ATOM 0 HG23 VAL A 11 14.689 -16.456 -2.270 1.00 62.01 H new ATOM 185 N LYS A 12 12.702 -17.712 -3.019 1.00 23.41 N ATOM 186 CA LYS A 12 13.022 -19.070 -3.444 1.00 10.01 C ATOM 187 C LYS A 12 12.017 -19.567 -4.478 1.00 61.21 C ATOM 188 O LYS A 12 12.344 -20.400 -5.323 1.00 42.23 O ATOM 189 CB LYS A 12 13.039 -20.013 -2.239 1.00 35.12 C ATOM 190 CG LYS A 12 13.675 -21.361 -2.530 1.00 3.11 C ATOM 191 CD LYS A 12 14.210 -22.010 -1.264 1.00 41.04 C ATOM 192 CE LYS A 12 15.315 -23.008 -1.574 1.00 61.32 C ATOM 193 NZ LYS A 12 16.315 -23.088 -0.474 1.00 20.14 N ATOM 0 H LYS A 12 12.430 -17.630 -2.039 1.00 23.41 H new ATOM 0 HA LYS A 12 14.011 -19.057 -3.901 1.00 10.01 H new ATOM 0 HB2 LYS A 12 13.579 -19.535 -1.422 1.00 35.12 H new ATOM 0 HB3 LYS A 12 12.016 -20.170 -1.897 1.00 35.12 H new ATOM 0 HG2 LYS A 12 12.940 -22.018 -2.994 1.00 3.11 H new ATOM 0 HG3 LYS A 12 14.487 -21.234 -3.246 1.00 3.11 H new ATOM 0 HD2 LYS A 12 14.591 -21.241 -0.592 1.00 41.04 H new ATOM 0 HD3 LYS A 12 13.398 -22.515 -0.742 1.00 41.04 H new ATOM 0 HE2 LYS A 12 14.879 -23.993 -1.740 1.00 61.32 H new ATOM 0 HE3 LYS A 12 15.815 -22.721 -2.499 1.00 61.32 H new ATOM 0 HZ1 LYS A 12 17.051 -23.779 -0.724 1.00 20.14 H new ATOM 0 HZ2 LYS A 12 16.750 -22.154 -0.332 1.00 20.14 H new ATOM 0 HZ3 LYS A 12 15.843 -23.387 0.403 1.00 20.14 H new ATOM 207 N GLN A 13 10.795 -19.050 -4.405 1.00 72.22 N ATOM 208 CA GLN A 13 9.743 -19.442 -5.336 1.00 64.14 C ATOM 209 C GLN A 13 10.192 -19.241 -6.780 1.00 40.01 C ATOM 210 O GLN A 13 9.725 -19.930 -7.687 1.00 4.03 O ATOM 211 CB GLN A 13 8.470 -18.638 -5.069 1.00 1.33 C ATOM 212 CG GLN A 13 7.849 -18.917 -3.710 1.00 13.33 C ATOM 213 CD GLN A 13 7.695 -20.399 -3.432 1.00 13.15 C ATOM 214 OE1 GLN A 13 8.481 -20.988 -2.689 1.00 41.03 O ATOM 215 NE2 GLN A 13 6.678 -21.011 -4.027 1.00 52.21 N ATOM 0 H GLN A 13 10.509 -18.359 -3.711 1.00 72.22 H new ATOM 0 HA GLN A 13 9.534 -20.501 -5.183 1.00 64.14 H new ATOM 0 HB2 GLN A 13 8.699 -17.575 -5.143 1.00 1.33 H new ATOM 0 HB3 GLN A 13 7.739 -18.862 -5.846 1.00 1.33 H new ATOM 0 HG2 GLN A 13 8.468 -18.468 -2.933 1.00 13.33 H new ATOM 0 HG3 GLN A 13 6.872 -18.438 -3.656 1.00 13.33 H new ATOM 0 HE21 GLN A 13 6.051 -20.484 -4.635 1.00 52.21 H new ATOM 0 HE22 GLN A 13 6.524 -22.008 -3.876 1.00 52.21 H new ATOM 224 N MET A 14 11.100 -18.292 -6.986 1.00 32.43 N ATOM 225 CA MET A 14 11.612 -18.002 -8.320 1.00 12.52 C ATOM 226 C MET A 14 12.919 -18.745 -8.574 1.00 44.33 C ATOM 227 O MET A 14 13.143 -19.272 -9.664 1.00 40.33 O ATOM 228 CB MET A 14 11.826 -16.496 -8.490 1.00 74.34 C ATOM 229 CG MET A 14 10.589 -15.668 -8.181 1.00 3.13 C ATOM 230 SD MET A 14 9.357 -15.741 -9.495 1.00 21.00 S ATOM 231 CE MET A 14 7.887 -15.229 -8.610 1.00 12.24 C ATOM 0 H MET A 14 11.496 -17.711 -6.247 1.00 32.43 H new ATOM 0 HA MET A 14 10.875 -18.342 -9.047 1.00 12.52 H new ATOM 0 HB2 MET A 14 12.639 -16.177 -7.838 1.00 74.34 H new ATOM 0 HB3 MET A 14 12.141 -16.295 -9.514 1.00 74.34 H new ATOM 0 HG2 MET A 14 10.144 -16.021 -7.251 1.00 3.13 H new ATOM 0 HG3 MET A 14 10.882 -14.630 -8.020 1.00 3.13 H new ATOM 0 HE1 MET A 14 7.036 -15.224 -9.291 1.00 12.24 H new ATOM 0 HE2 MET A 14 7.694 -15.924 -7.793 1.00 12.24 H new ATOM 0 HE3 MET A 14 8.035 -14.227 -8.207 1.00 12.24 H new ATOM 241 N TYR A 15 13.780 -18.782 -7.563 1.00 35.53 N ATOM 242 CA TYR A 15 15.066 -19.459 -7.678 1.00 41.23 C ATOM 243 C TYR A 15 15.133 -20.666 -6.747 1.00 53.43 C ATOM 244 O TYR A 15 15.676 -20.586 -5.645 1.00 54.11 O ATOM 245 CB TYR A 15 16.206 -18.490 -7.358 1.00 73.11 C ATOM 246 CG TYR A 15 16.073 -17.151 -8.047 1.00 3.42 C ATOM 247 CD1 TYR A 15 16.011 -17.063 -9.432 1.00 50.11 C ATOM 248 CD2 TYR A 15 16.012 -15.973 -7.313 1.00 14.34 C ATOM 249 CE1 TYR A 15 15.891 -15.841 -10.066 1.00 33.31 C ATOM 250 CE2 TYR A 15 15.890 -14.747 -7.938 1.00 12.13 C ATOM 251 CZ TYR A 15 15.830 -14.686 -9.314 1.00 70.33 C ATOM 252 OH TYR A 15 15.710 -13.467 -9.941 1.00 1.01 O ATOM 0 H TYR A 15 13.610 -18.351 -6.654 1.00 35.53 H new ATOM 0 HA TYR A 15 15.172 -19.809 -8.705 1.00 41.23 H new ATOM 0 HB2 TYR A 15 16.246 -18.332 -6.280 1.00 73.11 H new ATOM 0 HB3 TYR A 15 17.152 -18.946 -7.649 1.00 73.11 H new ATOM 0 HD1 TYR A 15 16.057 -17.965 -10.024 1.00 50.11 H new ATOM 0 HD2 TYR A 15 16.061 -16.016 -6.235 1.00 14.34 H new ATOM 0 HE1 TYR A 15 15.845 -15.790 -11.144 1.00 33.31 H new ATOM 0 HE2 TYR A 15 15.842 -13.841 -7.352 1.00 12.13 H new ATOM 0 HH TYR A 15 15.679 -12.755 -9.268 1.00 1.01 H new ATOM 262 N LYS A 16 14.577 -21.785 -7.199 1.00 53.43 N ATOM 263 CA LYS A 16 14.573 -23.011 -6.410 1.00 41.33 C ATOM 264 C LYS A 16 15.990 -23.398 -6.001 1.00 24.41 C ATOM 265 O LYS A 16 16.193 -24.081 -4.996 1.00 3.42 O ATOM 266 CB LYS A 16 13.930 -24.150 -7.204 1.00 23.41 C ATOM 267 CG LYS A 16 12.417 -24.200 -7.080 1.00 42.11 C ATOM 268 CD LYS A 16 11.744 -23.304 -8.107 1.00 22.33 C ATOM 269 CE LYS A 16 10.252 -23.177 -7.842 1.00 73.34 C ATOM 270 NZ LYS A 16 9.515 -24.416 -8.216 1.00 72.21 N ATOM 0 H LYS A 16 14.123 -21.868 -8.109 1.00 53.43 H new ATOM 0 HA LYS A 16 13.989 -22.832 -5.507 1.00 41.33 H new ATOM 0 HB2 LYS A 16 14.197 -24.044 -8.256 1.00 23.41 H new ATOM 0 HB3 LYS A 16 14.346 -25.099 -6.864 1.00 23.41 H new ATOM 0 HG2 LYS A 16 12.074 -25.226 -7.211 1.00 42.11 H new ATOM 0 HG3 LYS A 16 12.123 -23.891 -6.077 1.00 42.11 H new ATOM 0 HD2 LYS A 16 12.204 -22.316 -8.087 1.00 22.33 H new ATOM 0 HD3 LYS A 16 11.904 -23.709 -9.106 1.00 22.33 H new ATOM 0 HE2 LYS A 16 10.088 -22.961 -6.786 1.00 73.34 H new ATOM 0 HE3 LYS A 16 9.854 -22.333 -8.405 1.00 73.34 H new ATOM 0 HZ1 LYS A 16 8.501 -24.289 -8.020 1.00 72.21 H new ATOM 0 HZ2 LYS A 16 9.651 -24.608 -9.229 1.00 72.21 H new ATOM 0 HZ3 LYS A 16 9.878 -25.217 -7.660 1.00 72.21 H new ATOM 284 N THR A 17 16.970 -22.958 -6.785 1.00 74.10 N ATOM 285 CA THR A 17 18.368 -23.259 -6.504 1.00 14.31 C ATOM 286 C THR A 17 18.643 -24.753 -6.623 1.00 65.14 C ATOM 287 O THR A 17 19.345 -25.347 -5.804 1.00 50.12 O ATOM 288 CB THR A 17 18.772 -22.785 -5.095 1.00 51.31 C ATOM 289 OG1 THR A 17 18.036 -21.607 -4.744 1.00 70.54 O ATOM 290 CG2 THR A 17 20.264 -22.495 -5.029 1.00 52.31 C ATOM 0 H THR A 17 16.820 -22.392 -7.620 1.00 74.10 H new ATOM 0 HA THR A 17 18.962 -22.723 -7.244 1.00 14.31 H new ATOM 0 HB THR A 17 18.541 -23.581 -4.388 1.00 51.31 H new ATOM 0 HG1 THR A 17 18.297 -21.313 -3.846 1.00 70.54 H new ATOM 0 HG21 THR A 17 20.526 -22.162 -4.025 1.00 52.31 H new ATOM 0 HG22 THR A 17 20.822 -23.401 -5.268 1.00 52.31 H new ATOM 0 HG23 THR A 17 20.515 -21.714 -5.747 1.00 52.31 H new ATOM 298 N PRO A 18 18.080 -25.378 -7.668 1.00 43.12 N ATOM 299 CA PRO A 18 18.253 -26.812 -7.920 1.00 50.32 C ATOM 300 C PRO A 18 19.673 -27.157 -8.354 1.00 24.10 C ATOM 301 O PRO A 18 20.198 -26.586 -9.310 1.00 44.05 O ATOM 302 CB PRO A 18 17.264 -27.094 -9.054 1.00 20.21 C ATOM 303 CG PRO A 18 17.101 -25.787 -9.749 1.00 12.41 C ATOM 304 CD PRO A 18 17.232 -24.733 -8.684 1.00 41.44 C ATOM 0 HA PRO A 18 18.077 -27.408 -7.024 1.00 50.32 H new ATOM 0 HB2 PRO A 18 17.646 -27.858 -9.732 1.00 20.21 H new ATOM 0 HB3 PRO A 18 16.312 -27.458 -8.668 1.00 20.21 H new ATOM 0 HG2 PRO A 18 17.860 -25.658 -10.521 1.00 12.41 H new ATOM 0 HG3 PRO A 18 16.131 -25.725 -10.242 1.00 12.41 H new ATOM 0 HD2 PRO A 18 17.691 -23.824 -9.073 1.00 41.44 H new ATOM 0 HD3 PRO A 18 16.261 -24.451 -8.277 1.00 41.44 H new ATOM 312 N THR A 19 20.292 -28.096 -7.645 1.00 21.31 N ATOM 313 CA THR A 19 21.652 -28.517 -7.956 1.00 61.43 C ATOM 314 C THR A 19 21.693 -29.985 -8.367 1.00 11.13 C ATOM 315 O THR A 19 21.362 -30.871 -7.577 1.00 44.40 O ATOM 316 CB THR A 19 22.594 -28.305 -6.756 1.00 65.34 C ATOM 317 OG1 THR A 19 22.425 -26.985 -6.228 1.00 65.11 O ATOM 318 CG2 THR A 19 24.045 -28.512 -7.165 1.00 3.24 C ATOM 0 H THR A 19 19.872 -28.579 -6.851 1.00 21.31 H new ATOM 0 HA THR A 19 21.991 -27.900 -8.788 1.00 61.43 H new ATOM 0 HB THR A 19 22.341 -29.037 -5.989 1.00 65.34 H new ATOM 0 HG1 THR A 19 23.026 -26.859 -5.464 1.00 65.11 H new ATOM 0 HG21 THR A 19 24.692 -28.357 -6.302 1.00 3.24 H new ATOM 0 HG22 THR A 19 24.176 -29.527 -7.539 1.00 3.24 H new ATOM 0 HG23 THR A 19 24.308 -27.800 -7.948 1.00 3.24 H new ATOM 326 N LEU A 20 22.101 -30.237 -9.606 1.00 13.43 N ATOM 327 CA LEU A 20 22.186 -31.599 -10.121 1.00 53.44 C ATOM 328 C LEU A 20 23.598 -31.910 -10.605 1.00 63.52 C ATOM 329 O LEU A 20 23.785 -32.539 -11.647 1.00 71.50 O ATOM 330 CB LEU A 20 21.188 -31.796 -11.264 1.00 11.50 C ATOM 331 CG LEU A 20 21.051 -30.630 -12.244 1.00 44.02 C ATOM 332 CD1 LEU A 20 22.334 -30.450 -13.042 1.00 33.31 C ATOM 333 CD2 LEU A 20 19.869 -30.852 -13.175 1.00 75.15 C ATOM 0 H LEU A 20 22.378 -29.516 -10.272 1.00 13.43 H new ATOM 0 HA LEU A 20 21.940 -32.284 -9.310 1.00 53.44 H new ATOM 0 HB2 LEU A 20 21.480 -32.684 -11.825 1.00 11.50 H new ATOM 0 HB3 LEU A 20 20.208 -31.999 -10.833 1.00 11.50 H new ATOM 0 HG LEU A 20 20.872 -29.719 -11.673 1.00 44.02 H new ATOM 0 HD11 LEU A 20 22.218 -29.616 -13.734 1.00 33.31 H new ATOM 0 HD12 LEU A 20 23.160 -30.244 -12.361 1.00 33.31 H new ATOM 0 HD13 LEU A 20 22.544 -31.361 -13.603 1.00 33.31 H new ATOM 0 HD21 LEU A 20 19.787 -30.012 -13.865 1.00 75.15 H new ATOM 0 HD22 LEU A 20 20.018 -31.773 -13.739 1.00 75.15 H new ATOM 0 HD23 LEU A 20 18.954 -30.930 -12.588 1.00 75.15 H new ATOM 345 N LYS A 21 24.591 -31.468 -9.841 1.00 30.32 N ATOM 346 CA LYS A 21 25.988 -31.702 -10.188 1.00 74.42 C ATOM 347 C LYS A 21 26.473 -33.033 -9.622 1.00 4.21 C ATOM 348 O LYS A 21 27.665 -33.340 -9.668 1.00 11.24 O ATOM 349 CB LYS A 21 26.863 -30.562 -9.663 1.00 62.34 C ATOM 350 CG LYS A 21 28.136 -30.355 -10.465 1.00 44.31 C ATOM 351 CD LYS A 21 28.713 -28.966 -10.246 1.00 50.02 C ATOM 352 CE LYS A 21 29.539 -28.511 -11.439 1.00 63.13 C ATOM 353 NZ LYS A 21 30.837 -29.236 -11.524 1.00 61.42 N ATOM 0 H LYS A 21 24.454 -30.945 -8.976 1.00 30.32 H new ATOM 0 HA LYS A 21 26.066 -31.740 -11.275 1.00 74.42 H new ATOM 0 HB2 LYS A 21 26.285 -29.638 -9.670 1.00 62.34 H new ATOM 0 HB3 LYS A 21 27.126 -30.765 -8.625 1.00 62.34 H new ATOM 0 HG2 LYS A 21 28.873 -31.105 -10.179 1.00 44.31 H new ATOM 0 HG3 LYS A 21 27.927 -30.500 -11.525 1.00 44.31 H new ATOM 0 HD2 LYS A 21 27.903 -28.258 -10.072 1.00 50.02 H new ATOM 0 HD3 LYS A 21 29.335 -28.966 -9.351 1.00 50.02 H new ATOM 0 HE2 LYS A 21 28.972 -28.672 -12.356 1.00 63.13 H new ATOM 0 HE3 LYS A 21 29.726 -27.440 -11.364 1.00 63.13 H new ATOM 0 HZ1 LYS A 21 31.370 -28.897 -12.350 1.00 61.42 H new ATOM 0 HZ2 LYS A 21 31.389 -29.062 -10.660 1.00 61.42 H new ATOM 0 HZ3 LYS A 21 30.659 -30.256 -11.621 1.00 61.42 H new ATOM 367 N TYR A 22 25.544 -33.819 -9.090 1.00 40.21 N ATOM 368 CA TYR A 22 25.878 -35.116 -8.514 1.00 42.02 C ATOM 369 C TYR A 22 26.604 -35.992 -9.530 1.00 60.43 C ATOM 370 O TYR A 22 27.352 -36.899 -9.164 1.00 32.33 O ATOM 371 CB TYR A 22 24.612 -35.822 -8.027 1.00 21.52 C ATOM 372 CG TYR A 22 23.676 -36.226 -9.143 1.00 61.44 C ATOM 373 CD1 TYR A 22 23.695 -37.517 -9.659 1.00 55.41 C ATOM 374 CD2 TYR A 22 22.774 -35.318 -9.683 1.00 61.14 C ATOM 375 CE1 TYR A 22 22.842 -37.890 -10.680 1.00 33.13 C ATOM 376 CE2 TYR A 22 21.917 -35.683 -10.703 1.00 73.21 C ATOM 377 CZ TYR A 22 21.954 -36.970 -11.198 1.00 24.10 C ATOM 378 OH TYR A 22 21.103 -37.337 -12.215 1.00 32.34 O ATOM 0 H TYR A 22 24.553 -33.581 -9.046 1.00 40.21 H new ATOM 0 HA TYR A 22 26.542 -34.949 -7.666 1.00 42.02 H new ATOM 0 HB2 TYR A 22 24.896 -36.710 -7.463 1.00 21.52 H new ATOM 0 HB3 TYR A 22 24.081 -35.164 -7.339 1.00 21.52 H new ATOM 0 HD1 TYR A 22 24.388 -38.240 -9.255 1.00 55.41 H new ATOM 0 HD2 TYR A 22 22.742 -34.309 -9.299 1.00 61.14 H new ATOM 0 HE1 TYR A 22 22.870 -38.897 -11.071 1.00 33.13 H new ATOM 0 HE2 TYR A 22 21.222 -34.964 -11.111 1.00 73.21 H new ATOM 0 HH TYR A 22 20.542 -36.573 -12.464 1.00 32.34 H new ATOM 388 N PHE A 23 26.378 -35.714 -10.810 1.00 61.30 N ATOM 389 CA PHE A 23 27.009 -36.477 -11.881 1.00 44.40 C ATOM 390 C PHE A 23 28.499 -36.156 -11.972 1.00 34.45 C ATOM 391 O PHE A 23 29.295 -36.978 -12.424 1.00 51.32 O ATOM 392 CB PHE A 23 26.330 -36.177 -13.219 1.00 15.55 C ATOM 393 CG PHE A 23 26.749 -34.868 -13.824 1.00 1.51 C ATOM 394 CD1 PHE A 23 26.271 -33.670 -13.317 1.00 40.11 C ATOM 395 CD2 PHE A 23 27.621 -34.835 -14.900 1.00 41.22 C ATOM 396 CE1 PHE A 23 26.655 -32.463 -13.872 1.00 23.54 C ATOM 397 CE2 PHE A 23 28.009 -33.632 -15.458 1.00 43.44 C ATOM 398 CZ PHE A 23 27.525 -32.445 -14.944 1.00 51.44 C ATOM 0 H PHE A 23 25.763 -34.966 -11.131 1.00 61.30 H new ATOM 0 HA PHE A 23 26.896 -37.537 -11.653 1.00 44.40 H new ATOM 0 HB2 PHE A 23 26.556 -36.981 -13.920 1.00 15.55 H new ATOM 0 HB3 PHE A 23 25.249 -36.173 -13.076 1.00 15.55 H new ATOM 0 HD1 PHE A 23 25.590 -33.679 -12.478 1.00 40.11 H new ATOM 0 HD2 PHE A 23 28.002 -35.760 -15.307 1.00 41.22 H new ATOM 0 HE1 PHE A 23 26.275 -31.536 -13.468 1.00 23.54 H new ATOM 0 HE2 PHE A 23 28.690 -33.620 -16.296 1.00 43.44 H new ATOM 0 HZ PHE A 23 27.827 -31.504 -15.380 1.00 51.44 H new ATOM 408 N GLY A 24 28.867 -34.955 -11.537 1.00 42.25 N ATOM 409 CA GLY A 24 30.259 -34.546 -11.578 1.00 60.14 C ATOM 410 C GLY A 24 31.048 -35.056 -10.389 1.00 23.10 C ATOM 411 O GLY A 24 31.416 -34.286 -9.503 1.00 22.01 O ATOM 0 H GLY A 24 28.226 -34.258 -11.157 1.00 42.25 H new ATOM 0 HA2 GLY A 24 30.715 -34.913 -12.497 1.00 60.14 H new ATOM 0 HA3 GLY A 24 30.314 -33.458 -11.607 1.00 60.14 H new ATOM 415 N GLY A 25 31.308 -36.360 -10.368 1.00 0.01 N ATOM 416 CA GLY A 25 32.055 -36.950 -9.273 1.00 4.13 C ATOM 417 C GLY A 25 32.691 -38.273 -9.651 1.00 31.12 C ATOM 418 O GLY A 25 32.072 -39.329 -9.514 1.00 3.21 O ATOM 0 H GLY A 25 31.014 -37.018 -11.090 1.00 0.01 H new ATOM 0 HA2 GLY A 25 32.832 -36.256 -8.952 1.00 4.13 H new ATOM 0 HA3 GLY A 25 31.390 -37.100 -8.423 1.00 4.13 H new ATOM 422 N PHE A 26 33.929 -38.218 -10.130 1.00 3.54 N ATOM 423 CA PHE A 26 34.648 -39.421 -10.532 1.00 2.15 C ATOM 424 C PHE A 26 35.180 -40.169 -9.313 1.00 21.22 C ATOM 425 O PHE A 26 35.576 -39.559 -8.321 1.00 20.03 O ATOM 426 CB PHE A 26 35.804 -39.061 -11.468 1.00 31.43 C ATOM 427 CG PHE A 26 36.327 -40.231 -12.250 1.00 64.55 C ATOM 428 CD1 PHE A 26 35.820 -40.525 -13.506 1.00 43.41 C ATOM 429 CD2 PHE A 26 37.326 -41.039 -11.730 1.00 44.43 C ATOM 430 CE1 PHE A 26 36.300 -41.600 -14.229 1.00 61.43 C ATOM 431 CE2 PHE A 26 37.810 -42.115 -12.449 1.00 24.31 C ATOM 432 CZ PHE A 26 37.296 -42.397 -13.699 1.00 72.44 C ATOM 0 H PHE A 26 34.456 -37.353 -10.249 1.00 3.54 H new ATOM 0 HA PHE A 26 33.951 -40.072 -11.060 1.00 2.15 H new ATOM 0 HB2 PHE A 26 35.472 -38.289 -12.162 1.00 31.43 H new ATOM 0 HB3 PHE A 26 36.617 -38.634 -10.881 1.00 31.43 H new ATOM 0 HD1 PHE A 26 35.040 -39.906 -13.925 1.00 43.41 H new ATOM 0 HD2 PHE A 26 37.731 -40.825 -10.752 1.00 44.43 H new ATOM 0 HE1 PHE A 26 35.897 -41.817 -15.207 1.00 61.43 H new ATOM 0 HE2 PHE A 26 38.590 -42.735 -12.033 1.00 24.31 H new ATOM 0 HZ PHE A 26 37.672 -43.239 -14.261 1.00 72.44 H new ATOM 442 N ASN A 27 35.185 -41.496 -9.396 1.00 40.30 N ATOM 443 CA ASN A 27 35.667 -42.329 -8.300 1.00 52.40 C ATOM 444 C ASN A 27 36.871 -43.158 -8.736 1.00 35.50 C ATOM 445 O ASN A 27 36.902 -43.691 -9.846 1.00 1.23 O ATOM 446 CB ASN A 27 34.551 -43.250 -7.803 1.00 51.14 C ATOM 447 CG ASN A 27 33.516 -42.511 -6.977 1.00 71.11 C ATOM 448 OD1 ASN A 27 32.954 -41.509 -7.418 1.00 54.32 O ATOM 449 ND2 ASN A 27 33.260 -43.004 -5.771 1.00 60.30 N ATOM 0 H ASN A 27 34.861 -42.017 -10.211 1.00 40.30 H new ATOM 0 HA ASN A 27 35.976 -41.673 -7.486 1.00 52.40 H new ATOM 0 HB2 ASN A 27 34.063 -43.718 -8.658 1.00 51.14 H new ATOM 0 HB3 ASN A 27 34.985 -44.051 -7.205 1.00 51.14 H new ATOM 0 HD21 ASN A 27 32.573 -42.549 -5.169 1.00 60.30 H new ATOM 0 HD22 ASN A 27 33.750 -43.837 -5.446 1.00 60.30 H new ATOM 456 N PHE A 28 37.859 -43.265 -7.855 1.00 4.23 N ATOM 457 CA PHE A 28 39.066 -44.030 -8.148 1.00 11.41 C ATOM 458 C PHE A 28 38.826 -45.523 -7.946 1.00 52.10 C ATOM 459 O PHE A 28 39.472 -46.358 -8.579 1.00 40.41 O ATOM 460 CB PHE A 28 40.220 -43.562 -7.259 1.00 22.42 C ATOM 461 CG PHE A 28 40.084 -43.990 -5.825 1.00 54.34 C ATOM 462 CD1 PHE A 28 40.755 -45.106 -5.355 1.00 22.44 C ATOM 463 CD2 PHE A 28 39.283 -43.275 -4.949 1.00 2.01 C ATOM 464 CE1 PHE A 28 40.632 -45.502 -4.036 1.00 61.30 C ATOM 465 CE2 PHE A 28 39.157 -43.666 -3.629 1.00 54.33 C ATOM 466 CZ PHE A 28 39.831 -44.781 -3.173 1.00 32.44 C ATOM 0 H PHE A 28 37.848 -42.832 -6.932 1.00 4.23 H new ATOM 0 HA PHE A 28 39.329 -43.861 -9.192 1.00 11.41 H new ATOM 0 HB2 PHE A 28 41.157 -43.951 -7.659 1.00 22.42 H new ATOM 0 HB3 PHE A 28 40.282 -42.475 -7.301 1.00 22.42 H new ATOM 0 HD1 PHE A 28 41.382 -45.674 -6.026 1.00 22.44 H new ATOM 0 HD2 PHE A 28 38.752 -42.403 -5.301 1.00 2.01 H new ATOM 0 HE1 PHE A 28 41.162 -46.374 -3.681 1.00 61.30 H new ATOM 0 HE2 PHE A 28 38.532 -43.099 -2.955 1.00 54.33 H new ATOM 0 HZ PHE A 28 39.732 -45.089 -2.143 1.00 32.44 H new ATOM 476 N SER A 29 37.892 -45.851 -7.059 1.00 21.41 N ATOM 477 CA SER A 29 37.569 -47.244 -6.769 1.00 51.53 C ATOM 478 C SER A 29 36.564 -47.789 -7.779 1.00 70.33 C ATOM 479 O SER A 29 36.121 -48.933 -7.673 1.00 41.44 O ATOM 480 CB SER A 29 37.007 -47.375 -5.352 1.00 43.32 C ATOM 481 OG SER A 29 37.759 -46.602 -4.432 1.00 51.03 O ATOM 0 H SER A 29 37.346 -45.172 -6.529 1.00 21.41 H new ATOM 0 HA SER A 29 38.487 -47.828 -6.843 1.00 51.53 H new ATOM 0 HB2 SER A 29 35.966 -47.051 -5.339 1.00 43.32 H new ATOM 0 HB3 SER A 29 37.019 -48.422 -5.048 1.00 43.32 H new ATOM 0 HG SER A 29 38.677 -46.503 -4.761 1.00 51.03 H new ATOM 487 N GLN A 30 36.209 -46.962 -8.758 1.00 24.54 N ATOM 488 CA GLN A 30 35.256 -47.361 -9.786 1.00 63.55 C ATOM 489 C GLN A 30 35.979 -47.859 -11.034 1.00 54.22 C ATOM 490 O GLN A 30 35.474 -48.723 -11.752 1.00 23.01 O ATOM 491 CB GLN A 30 34.341 -46.190 -10.146 1.00 10.34 C ATOM 492 CG GLN A 30 33.421 -46.474 -11.322 1.00 65.31 C ATOM 493 CD GLN A 30 32.595 -45.268 -11.722 1.00 50.00 C ATOM 494 OE1 GLN A 30 32.898 -44.592 -12.705 1.00 43.52 O ATOM 495 NE2 GLN A 30 31.543 -44.992 -10.960 1.00 40.22 N ATOM 0 H GLN A 30 36.567 -46.012 -8.860 1.00 24.54 H new ATOM 0 HA GLN A 30 34.651 -48.176 -9.388 1.00 63.55 H new ATOM 0 HB2 GLN A 30 33.736 -45.932 -9.277 1.00 10.34 H new ATOM 0 HB3 GLN A 30 34.954 -45.319 -10.377 1.00 10.34 H new ATOM 0 HG2 GLN A 30 34.017 -46.800 -12.174 1.00 65.31 H new ATOM 0 HG3 GLN A 30 32.754 -47.297 -11.066 1.00 65.31 H new ATOM 0 HE21 GLN A 30 31.329 -45.580 -10.154 1.00 40.22 H new ATOM 0 HE22 GLN A 30 30.949 -44.192 -11.181 1.00 40.22 H new ATOM 504 N ILE A 31 37.161 -47.307 -11.287 1.00 31.44 N ATOM 505 CA ILE A 31 37.952 -47.696 -12.447 1.00 42.04 C ATOM 506 C ILE A 31 38.909 -48.833 -12.105 1.00 1.22 C ATOM 507 O ILE A 31 39.238 -49.660 -12.956 1.00 42.12 O ATOM 508 CB ILE A 31 38.761 -46.508 -13.000 1.00 44.14 C ATOM 509 CG1 ILE A 31 39.445 -46.895 -14.313 1.00 64.50 C ATOM 510 CG2 ILE A 31 39.789 -46.045 -11.978 1.00 74.20 C ATOM 511 CD1 ILE A 31 38.477 -47.159 -15.444 1.00 75.14 C ATOM 0 H ILE A 31 37.592 -46.589 -10.704 1.00 31.44 H new ATOM 0 HA ILE A 31 37.249 -48.033 -13.209 1.00 42.04 H new ATOM 0 HB ILE A 31 38.077 -45.683 -13.198 1.00 44.14 H new ATOM 0 HG12 ILE A 31 40.126 -46.096 -14.607 1.00 64.50 H new ATOM 0 HG13 ILE A 31 40.051 -47.786 -14.149 1.00 64.50 H new ATOM 0 HG21 ILE A 31 40.353 -45.205 -12.384 1.00 74.20 H new ATOM 0 HG22 ILE A 31 39.280 -45.734 -11.066 1.00 74.20 H new ATOM 0 HG23 ILE A 31 40.471 -46.864 -11.752 1.00 74.20 H new ATOM 0 HD11 ILE A 31 39.032 -47.428 -16.343 1.00 75.14 H new ATOM 0 HD12 ILE A 31 37.812 -47.978 -15.170 1.00 75.14 H new ATOM 0 HD13 ILE A 31 37.888 -46.262 -15.636 1.00 75.14 H new ATOM 523 N LEU A 32 39.351 -48.869 -10.853 1.00 23.32 N ATOM 524 CA LEU A 32 40.270 -49.906 -10.396 1.00 33.54 C ATOM 525 C LEU A 32 39.512 -51.047 -9.724 1.00 30.21 C ATOM 526 O LEU A 32 38.367 -50.898 -9.297 1.00 73.13 O ATOM 527 CB LEU A 32 41.293 -49.317 -9.424 1.00 1.24 C ATOM 528 CG LEU A 32 42.707 -49.123 -9.973 1.00 72.13 C ATOM 529 CD1 LEU A 32 42.971 -47.653 -10.260 1.00 61.25 C ATOM 530 CD2 LEU A 32 43.738 -49.672 -8.998 1.00 41.31 C ATOM 0 H LEU A 32 39.088 -48.193 -10.136 1.00 23.32 H new ATOM 0 HA LEU A 32 40.792 -50.303 -11.266 1.00 33.54 H new ATOM 0 HB2 LEU A 32 40.923 -48.351 -9.080 1.00 1.24 H new ATOM 0 HB3 LEU A 32 41.350 -49.966 -8.550 1.00 1.24 H new ATOM 0 HG LEU A 32 42.792 -49.675 -10.909 1.00 72.13 H new ATOM 0 HD11 LEU A 32 43.982 -47.534 -10.650 1.00 61.25 H new ATOM 0 HD12 LEU A 32 42.253 -47.291 -10.996 1.00 61.25 H new ATOM 0 HD13 LEU A 32 42.867 -47.078 -9.340 1.00 61.25 H new ATOM 0 HD21 LEU A 32 44.738 -49.525 -9.405 1.00 41.31 H new ATOM 0 HD22 LEU A 32 43.653 -49.148 -8.046 1.00 41.31 H new ATOM 0 HD23 LEU A 32 43.562 -50.736 -8.843 1.00 41.31 H new ATOM 542 N PRO A 33 40.165 -52.214 -9.625 1.00 23.42 N ATOM 543 CA PRO A 33 39.573 -53.403 -9.003 1.00 42.32 C ATOM 544 C PRO A 33 39.416 -53.250 -7.494 1.00 64.21 C ATOM 545 O PRO A 33 40.384 -52.974 -6.785 1.00 32.33 O ATOM 546 CB PRO A 33 40.579 -54.511 -9.327 1.00 54.41 C ATOM 547 CG PRO A 33 41.875 -53.802 -9.517 1.00 41.01 C ATOM 548 CD PRO A 33 41.533 -52.464 -10.112 1.00 15.15 C ATOM 0 HA PRO A 33 38.567 -53.600 -9.375 1.00 42.32 H new ATOM 0 HB2 PRO A 33 40.641 -55.239 -8.518 1.00 54.41 H new ATOM 0 HB3 PRO A 33 40.291 -55.057 -10.225 1.00 54.41 H new ATOM 0 HG2 PRO A 33 42.398 -53.685 -8.568 1.00 41.01 H new ATOM 0 HG3 PRO A 33 42.535 -54.365 -10.177 1.00 41.01 H new ATOM 0 HD2 PRO A 33 42.225 -51.689 -9.782 1.00 15.15 H new ATOM 0 HD3 PRO A 33 41.574 -52.486 -11.201 1.00 15.15 H new ATOM 556 N SER A 34 38.192 -53.432 -7.010 1.00 21.04 N ATOM 557 CA SER A 34 37.908 -53.311 -5.584 1.00 63.24 C ATOM 558 C SER A 34 38.129 -54.642 -4.872 1.00 20.12 C ATOM 559 O SER A 34 38.147 -55.709 -5.486 1.00 41.12 O ATOM 560 CB SER A 34 36.470 -52.836 -5.368 1.00 23.14 C ATOM 561 OG SER A 34 35.821 -53.612 -4.375 1.00 40.41 O ATOM 0 H SER A 34 37.381 -53.664 -7.584 1.00 21.04 H new ATOM 0 HA SER A 34 38.593 -52.575 -5.163 1.00 63.24 H new ATOM 0 HB2 SER A 34 36.471 -51.787 -5.072 1.00 23.14 H new ATOM 0 HB3 SER A 34 35.917 -52.902 -6.305 1.00 23.14 H new ATOM 0 HG SER A 34 35.085 -54.115 -4.782 1.00 40.41 H new ATOM 567 N PRO A 35 38.301 -54.579 -3.543 1.00 62.41 N ATOM 568 CA PRO A 35 38.523 -55.770 -2.717 1.00 4.43 C ATOM 569 C PRO A 35 37.278 -56.644 -2.613 1.00 4.14 C ATOM 570 O PRO A 35 37.344 -57.860 -2.800 1.00 14.42 O ATOM 571 CB PRO A 35 38.885 -55.188 -1.347 1.00 74.35 C ATOM 572 CG PRO A 35 38.248 -53.842 -1.328 1.00 15.24 C ATOM 573 CD PRO A 35 38.292 -53.342 -2.745 1.00 54.11 C ATOM 0 HA PRO A 35 39.291 -56.420 -3.136 1.00 4.43 H new ATOM 0 HB2 PRO A 35 38.510 -55.815 -0.539 1.00 74.35 H new ATOM 0 HB3 PRO A 35 39.965 -55.117 -1.220 1.00 74.35 H new ATOM 0 HG2 PRO A 35 37.221 -53.901 -0.967 1.00 15.24 H new ATOM 0 HG3 PRO A 35 38.782 -53.167 -0.659 1.00 15.24 H new ATOM 0 HD2 PRO A 35 37.428 -52.719 -2.978 1.00 54.11 H new ATOM 0 HD3 PRO A 35 39.180 -52.738 -2.930 1.00 54.11 H new ATOM 581 N LEU A 36 36.145 -56.018 -2.314 1.00 23.33 N ATOM 582 CA LEU A 36 34.884 -56.740 -2.185 1.00 51.23 C ATOM 583 C LEU A 36 34.014 -56.539 -3.422 1.00 35.03 C ATOM 584 O LEU A 36 33.787 -55.410 -3.859 1.00 31.45 O ATOM 585 CB LEU A 36 34.132 -56.274 -0.937 1.00 41.02 C ATOM 586 CG LEU A 36 34.720 -56.714 0.404 1.00 42.11 C ATOM 587 CD1 LEU A 36 34.562 -55.614 1.443 1.00 61.44 C ATOM 588 CD2 LEU A 36 34.059 -57.999 0.880 1.00 22.23 C ATOM 0 H LEU A 36 36.074 -55.013 -2.156 1.00 23.33 H new ATOM 0 HA LEU A 36 35.109 -57.802 -2.090 1.00 51.23 H new ATOM 0 HB2 LEU A 36 34.085 -55.185 -0.951 1.00 41.02 H new ATOM 0 HB3 LEU A 36 33.106 -56.638 -0.998 1.00 41.02 H new ATOM 0 HG LEU A 36 35.784 -56.906 0.267 1.00 42.11 H new ATOM 0 HD11 LEU A 36 34.986 -55.945 2.391 1.00 61.44 H new ATOM 0 HD12 LEU A 36 35.083 -54.718 1.106 1.00 61.44 H new ATOM 0 HD13 LEU A 36 33.504 -55.390 1.578 1.00 61.44 H new ATOM 0 HD21 LEU A 36 34.490 -58.297 1.836 1.00 22.23 H new ATOM 0 HD22 LEU A 36 32.988 -57.834 1.000 1.00 22.23 H new ATOM 0 HD23 LEU A 36 34.225 -58.787 0.145 1.00 22.23 H new ATOM 600 N LYS A 37 33.526 -57.641 -3.981 1.00 20.31 N ATOM 601 CA LYS A 37 32.677 -57.588 -5.165 1.00 40.11 C ATOM 602 C LYS A 37 31.384 -58.366 -4.943 1.00 61.22 C ATOM 603 O LYS A 37 31.323 -59.300 -4.144 1.00 21.44 O ATOM 604 CB LYS A 37 33.422 -58.151 -6.378 1.00 11.23 C ATOM 605 CG LYS A 37 34.854 -57.658 -6.494 1.00 60.51 C ATOM 606 CD LYS A 37 35.835 -58.651 -5.893 1.00 3.42 C ATOM 607 CE LYS A 37 36.188 -59.753 -6.879 1.00 62.22 C ATOM 608 NZ LYS A 37 37.148 -59.283 -7.917 1.00 35.13 N ATOM 0 H LYS A 37 33.704 -58.583 -3.632 1.00 20.31 H new ATOM 0 HA LYS A 37 32.424 -56.545 -5.354 1.00 40.11 H new ATOM 0 HB2 LYS A 37 33.425 -59.239 -6.319 1.00 11.23 H new ATOM 0 HB3 LYS A 37 32.879 -57.882 -7.284 1.00 11.23 H new ATOM 0 HG2 LYS A 37 35.099 -57.492 -7.543 1.00 60.51 H new ATOM 0 HG3 LYS A 37 34.951 -56.697 -5.988 1.00 60.51 H new ATOM 0 HD2 LYS A 37 36.742 -58.129 -5.589 1.00 3.42 H new ATOM 0 HD3 LYS A 37 35.404 -59.091 -4.994 1.00 3.42 H new ATOM 0 HE2 LYS A 37 36.620 -60.597 -6.341 1.00 62.22 H new ATOM 0 HE3 LYS A 37 35.279 -60.113 -7.361 1.00 62.22 H new ATOM 0 HZ1 LYS A 37 37.455 -60.090 -8.497 1.00 35.13 H new ATOM 0 HZ2 LYS A 37 36.685 -58.577 -8.524 1.00 35.13 H new ATOM 0 HZ3 LYS A 37 37.976 -58.854 -7.456 1.00 35.13 H new ATOM 622 N PRO A 38 30.325 -57.975 -5.668 1.00 22.22 N ATOM 623 CA PRO A 38 29.015 -58.625 -5.569 1.00 12.35 C ATOM 624 C PRO A 38 29.020 -60.032 -6.155 1.00 34.44 C ATOM 625 O PRO A 38 28.171 -60.859 -5.819 1.00 72.32 O ATOM 626 CB PRO A 38 28.102 -57.708 -6.387 1.00 33.14 C ATOM 627 CG PRO A 38 29.012 -57.031 -7.353 1.00 34.43 C ATOM 628 CD PRO A 38 30.326 -56.869 -6.640 1.00 72.31 C ATOM 0 HA PRO A 38 28.699 -58.750 -4.533 1.00 12.35 H new ATOM 0 HB2 PRO A 38 27.329 -58.277 -6.903 1.00 33.14 H new ATOM 0 HB3 PRO A 38 27.593 -56.985 -5.749 1.00 33.14 H new ATOM 0 HG2 PRO A 38 29.130 -57.625 -8.259 1.00 34.43 H new ATOM 0 HG3 PRO A 38 28.610 -56.064 -7.656 1.00 34.43 H new ATOM 0 HD2 PRO A 38 31.168 -56.940 -7.328 1.00 72.31 H new ATOM 0 HD3 PRO A 38 30.398 -55.900 -6.146 1.00 72.31 H new ATOM 636 N THR A 39 29.982 -60.300 -7.032 1.00 53.13 N ATOM 637 CA THR A 39 30.097 -61.608 -7.666 1.00 14.54 C ATOM 638 C THR A 39 30.878 -62.577 -6.787 1.00 31.44 C ATOM 639 O THR A 39 31.113 -63.725 -7.166 1.00 52.24 O ATOM 640 CB THR A 39 30.786 -61.508 -9.039 1.00 43.23 C ATOM 641 OG1 THR A 39 30.505 -60.238 -9.638 1.00 12.33 O ATOM 642 CG2 THR A 39 30.319 -62.623 -9.962 1.00 31.53 C ATOM 0 H THR A 39 30.694 -59.628 -7.320 1.00 53.13 H new ATOM 0 HA THR A 39 29.083 -61.983 -7.804 1.00 14.54 H new ATOM 0 HB THR A 39 31.861 -61.608 -8.888 1.00 43.23 H new ATOM 0 HG1 THR A 39 30.949 -60.182 -10.510 1.00 12.33 H new ATOM 0 HG21 THR A 39 30.820 -62.531 -10.926 1.00 31.53 H new ATOM 0 HG22 THR A 39 30.561 -63.588 -9.518 1.00 31.53 H new ATOM 0 HG23 THR A 39 29.241 -62.550 -10.105 1.00 31.53 H new ATOM 650 N LYS A 40 31.278 -62.110 -5.609 1.00 22.21 N ATOM 651 CA LYS A 40 32.032 -62.937 -4.673 1.00 51.55 C ATOM 652 C LYS A 40 31.109 -63.897 -3.930 1.00 11.42 C ATOM 653 O LYS A 40 31.313 -65.110 -3.951 1.00 61.52 O ATOM 654 CB LYS A 40 32.782 -62.055 -3.672 1.00 70.13 C ATOM 655 CG LYS A 40 33.939 -62.762 -2.987 1.00 50.43 C ATOM 656 CD LYS A 40 33.493 -63.451 -1.709 1.00 21.12 C ATOM 657 CE LYS A 40 33.331 -62.459 -0.568 1.00 12.52 C ATOM 658 NZ LYS A 40 34.643 -62.069 0.020 1.00 73.25 N ATOM 0 H LYS A 40 31.093 -61.163 -5.279 1.00 22.21 H new ATOM 0 HA LYS A 40 32.753 -63.523 -5.243 1.00 51.55 H new ATOM 0 HB2 LYS A 40 33.161 -61.174 -4.189 1.00 70.13 H new ATOM 0 HB3 LYS A 40 32.082 -61.703 -2.914 1.00 70.13 H new ATOM 0 HG2 LYS A 40 34.371 -63.497 -3.666 1.00 50.43 H new ATOM 0 HG3 LYS A 40 34.723 -62.040 -2.758 1.00 50.43 H new ATOM 0 HD2 LYS A 40 32.548 -63.965 -1.882 1.00 21.12 H new ATOM 0 HD3 LYS A 40 34.223 -64.211 -1.431 1.00 21.12 H new ATOM 0 HE2 LYS A 40 32.817 -61.569 -0.931 1.00 12.52 H new ATOM 0 HE3 LYS A 40 32.702 -62.897 0.207 1.00 12.52 H new ATOM 0 HZ1 LYS A 40 34.486 -61.432 0.827 1.00 73.25 H new ATOM 0 HZ2 LYS A 40 35.145 -62.920 0.344 1.00 73.25 H new ATOM 0 HZ3 LYS A 40 35.215 -61.582 -0.699 1.00 73.25 H new ATOM 672 N ARG A 41 30.093 -63.345 -3.274 1.00 71.03 N ATOM 673 CA ARG A 41 29.139 -64.153 -2.525 1.00 14.05 C ATOM 674 C ARG A 41 27.941 -64.525 -3.393 1.00 75.12 C ATOM 675 O ARG A 41 26.960 -65.090 -2.907 1.00 44.54 O ATOM 676 CB ARG A 41 28.666 -63.399 -1.281 1.00 14.44 C ATOM 677 CG ARG A 41 27.709 -62.258 -1.587 1.00 72.02 C ATOM 678 CD ARG A 41 27.478 -61.381 -0.367 1.00 4.24 C ATOM 679 NE ARG A 41 26.853 -60.109 -0.717 1.00 53.41 N ATOM 680 CZ ARG A 41 25.553 -59.969 -0.952 1.00 33.11 C ATOM 681 NH1 ARG A 41 24.745 -61.018 -0.873 1.00 42.34 N ATOM 682 NH2 ARG A 41 25.058 -58.778 -1.265 1.00 71.44 N ATOM 0 H ARG A 41 29.910 -62.342 -3.246 1.00 71.03 H new ATOM 0 HA ARG A 41 29.641 -65.070 -2.217 1.00 14.05 H new ATOM 0 HB2 ARG A 41 28.177 -64.101 -0.605 1.00 14.44 H new ATOM 0 HB3 ARG A 41 29.534 -63.002 -0.755 1.00 14.44 H new ATOM 0 HG2 ARG A 41 28.111 -61.653 -2.400 1.00 72.02 H new ATOM 0 HG3 ARG A 41 26.757 -62.663 -1.931 1.00 72.02 H new ATOM 0 HD2 ARG A 41 26.846 -61.911 0.346 1.00 4.24 H new ATOM 0 HD3 ARG A 41 28.430 -61.193 0.129 1.00 4.24 H new ATOM 0 HE ARG A 41 27.447 -59.283 -0.785 1.00 53.41 H new ATOM 0 HH11 ARG A 41 25.121 -61.935 -0.631 1.00 42.34 H new ATOM 0 HH12 ARG A 41 23.747 -60.908 -1.054 1.00 42.34 H new ATOM 0 HH21 ARG A 41 25.676 -57.969 -1.325 1.00 71.44 H new ATOM 0 HH22 ARG A 41 24.060 -58.672 -1.445 1.00 71.44 H new ATOM 696 N SER A 42 28.027 -64.204 -4.680 1.00 72.22 N ATOM 697 CA SER A 42 26.948 -64.501 -5.616 1.00 3.42 C ATOM 698 C SER A 42 26.951 -65.978 -5.997 1.00 52.23 C ATOM 699 O SER A 42 27.492 -66.362 -7.034 1.00 75.25 O ATOM 700 CB SER A 42 27.083 -63.638 -6.872 1.00 12.41 C ATOM 701 OG SER A 42 26.191 -64.069 -7.885 1.00 71.10 O ATOM 0 H SER A 42 28.832 -63.738 -5.099 1.00 72.22 H new ATOM 0 HA SER A 42 26.001 -64.272 -5.126 1.00 3.42 H new ATOM 0 HB2 SER A 42 26.881 -62.596 -6.624 1.00 12.41 H new ATOM 0 HB3 SER A 42 28.108 -63.685 -7.241 1.00 12.41 H new ATOM 0 HG SER A 42 26.296 -63.501 -8.676 1.00 71.10 H new ATOM 707 N PHE A 43 26.342 -66.802 -5.151 1.00 3.02 N ATOM 708 CA PHE A 43 26.274 -68.238 -5.397 1.00 43.43 C ATOM 709 C PHE A 43 25.328 -68.547 -6.553 1.00 52.25 C ATOM 710 O PHE A 43 25.471 -69.565 -7.231 1.00 52.12 O ATOM 711 CB PHE A 43 25.814 -68.972 -4.136 1.00 50.22 C ATOM 712 CG PHE A 43 24.363 -68.756 -3.813 1.00 60.41 C ATOM 713 CD1 PHE A 43 23.972 -67.726 -2.974 1.00 1.23 C ATOM 714 CD2 PHE A 43 23.390 -69.585 -4.349 1.00 21.04 C ATOM 715 CE1 PHE A 43 22.638 -67.525 -2.675 1.00 13.44 C ATOM 716 CE2 PHE A 43 22.054 -69.388 -4.053 1.00 63.45 C ATOM 717 CZ PHE A 43 21.678 -68.358 -3.215 1.00 13.25 C ATOM 0 H PHE A 43 25.888 -66.500 -4.289 1.00 3.02 H new ATOM 0 HA PHE A 43 27.272 -68.583 -5.665 1.00 43.43 H new ATOM 0 HB2 PHE A 43 25.995 -70.040 -4.260 1.00 50.22 H new ATOM 0 HB3 PHE A 43 26.419 -68.642 -3.292 1.00 50.22 H new ATOM 0 HD1 PHE A 43 24.719 -67.072 -2.548 1.00 1.23 H new ATOM 0 HD2 PHE A 43 23.679 -70.393 -5.005 1.00 21.04 H new ATOM 0 HE1 PHE A 43 22.346 -66.717 -2.020 1.00 13.44 H new ATOM 0 HE2 PHE A 43 21.305 -70.040 -4.477 1.00 63.45 H new ATOM 0 HZ PHE A 43 20.635 -68.204 -2.982 1.00 13.25 H new ATOM 727 N ILE A 44 24.361 -67.662 -6.772 1.00 2.43 N ATOM 728 CA ILE A 44 23.392 -67.839 -7.845 1.00 74.14 C ATOM 729 C ILE A 44 24.088 -68.078 -9.181 1.00 32.11 C ATOM 730 O ILE A 44 23.572 -68.790 -10.042 1.00 20.23 O ATOM 731 CB ILE A 44 22.464 -66.616 -7.974 1.00 62.44 C ATOM 732 CG1 ILE A 44 21.787 -66.319 -6.635 1.00 1.11 C ATOM 733 CG2 ILE A 44 21.424 -66.853 -9.059 1.00 12.30 C ATOM 734 CD1 ILE A 44 22.420 -65.171 -5.880 1.00 31.13 C ATOM 0 H ILE A 44 24.228 -66.815 -6.220 1.00 2.43 H new ATOM 0 HA ILE A 44 22.794 -68.713 -7.588 1.00 74.14 H new ATOM 0 HB ILE A 44 23.064 -65.751 -8.256 1.00 62.44 H new ATOM 0 HG12 ILE A 44 20.736 -66.092 -6.811 1.00 1.11 H new ATOM 0 HG13 ILE A 44 21.820 -67.214 -6.014 1.00 1.11 H new ATOM 0 HG21 ILE A 44 20.776 -65.980 -9.138 1.00 12.30 H new ATOM 0 HG22 ILE A 44 21.925 -67.021 -10.012 1.00 12.30 H new ATOM 0 HG23 ILE A 44 20.825 -67.728 -8.804 1.00 12.30 H new ATOM 0 HD11 ILE A 44 21.889 -65.017 -4.941 1.00 31.13 H new ATOM 0 HD12 ILE A 44 23.464 -65.404 -5.673 1.00 31.13 H new ATOM 0 HD13 ILE A 44 22.363 -64.264 -6.482 1.00 31.13 H new ATOM 746 N GLU A 45 25.263 -67.479 -9.345 1.00 22.11 N ATOM 747 CA GLU A 45 26.031 -67.628 -10.576 1.00 33.22 C ATOM 748 C GLU A 45 26.276 -69.101 -10.889 1.00 22.52 C ATOM 749 O GLU A 45 26.454 -69.480 -12.047 1.00 1.23 O ATOM 750 CB GLU A 45 27.366 -66.890 -10.463 1.00 2.00 C ATOM 751 CG GLU A 45 28.358 -67.565 -9.530 1.00 14.41 C ATOM 752 CD GLU A 45 29.439 -66.618 -9.044 1.00 74.54 C ATOM 753 OE1 GLU A 45 30.417 -67.099 -8.435 1.00 63.34 O ATOM 754 OE2 GLU A 45 29.306 -65.398 -9.273 1.00 21.12 O ATOM 0 H GLU A 45 25.704 -66.886 -8.642 1.00 22.11 H new ATOM 0 HA GLU A 45 25.452 -67.193 -11.390 1.00 33.22 H new ATOM 0 HB2 GLU A 45 27.811 -66.808 -11.455 1.00 2.00 H new ATOM 0 HB3 GLU A 45 27.182 -65.875 -10.111 1.00 2.00 H new ATOM 0 HG2 GLU A 45 27.824 -67.973 -8.671 1.00 14.41 H new ATOM 0 HG3 GLU A 45 28.822 -68.406 -10.046 1.00 14.41 H new ATOM 761 N ASP A 46 26.285 -69.928 -9.848 1.00 40.55 N ATOM 762 CA ASP A 46 26.508 -71.359 -10.011 1.00 62.40 C ATOM 763 C ASP A 46 25.442 -71.977 -10.911 1.00 44.21 C ATOM 764 O ASP A 46 25.642 -73.049 -11.483 1.00 25.43 O ATOM 765 CB ASP A 46 26.508 -72.055 -8.649 1.00 25.11 C ATOM 766 CG ASP A 46 27.754 -71.746 -7.841 1.00 55.31 C ATOM 767 OD1 ASP A 46 27.850 -70.621 -7.307 1.00 2.13 O ATOM 768 OD2 ASP A 46 28.631 -72.629 -7.743 1.00 12.35 O ATOM 0 H ASP A 46 26.140 -69.631 -8.883 1.00 40.55 H new ATOM 0 HA ASP A 46 27.481 -71.498 -10.482 1.00 62.40 H new ATOM 0 HB2 ASP A 46 25.627 -71.746 -8.086 1.00 25.11 H new ATOM 0 HB3 ASP A 46 26.431 -73.132 -8.795 1.00 25.11 H new ATOM 773 N LEU A 47 24.310 -71.294 -11.032 1.00 55.30 N ATOM 774 CA LEU A 47 23.211 -71.775 -11.862 1.00 74.10 C ATOM 775 C LEU A 47 23.644 -71.903 -13.319 1.00 21.02 C ATOM 776 O LEU A 47 23.007 -72.601 -14.109 1.00 15.14 O ATOM 777 CB LEU A 47 22.013 -70.830 -11.756 1.00 11.35 C ATOM 778 CG LEU A 47 22.080 -69.563 -12.610 1.00 35.13 C ATOM 779 CD1 LEU A 47 21.458 -69.808 -13.976 1.00 45.42 C ATOM 780 CD2 LEU A 47 21.384 -68.407 -11.905 1.00 24.41 C ATOM 0 H LEU A 47 24.128 -70.405 -10.566 1.00 55.30 H new ATOM 0 HA LEU A 47 22.921 -72.761 -11.500 1.00 74.10 H new ATOM 0 HB2 LEU A 47 21.114 -71.382 -12.031 1.00 11.35 H new ATOM 0 HB3 LEU A 47 21.899 -70.535 -10.713 1.00 11.35 H new ATOM 0 HG LEU A 47 23.128 -69.298 -12.752 1.00 35.13 H new ATOM 0 HD11 LEU A 47 21.514 -68.896 -14.570 1.00 45.42 H new ATOM 0 HD12 LEU A 47 21.999 -70.606 -14.484 1.00 45.42 H new ATOM 0 HD13 LEU A 47 20.414 -70.098 -13.854 1.00 45.42 H new ATOM 0 HD21 LEU A 47 21.441 -67.514 -12.527 1.00 24.41 H new ATOM 0 HD22 LEU A 47 20.338 -68.662 -11.733 1.00 24.41 H new ATOM 0 HD23 LEU A 47 21.873 -68.216 -10.950 1.00 24.41 H new ATOM 792 N LEU A 48 24.733 -71.227 -13.668 1.00 51.11 N ATOM 793 CA LEU A 48 25.254 -71.266 -15.030 1.00 60.41 C ATOM 794 C LEU A 48 25.726 -72.671 -15.392 1.00 52.01 C ATOM 795 O LEU A 48 25.921 -72.988 -16.566 1.00 23.55 O ATOM 796 CB LEU A 48 26.407 -70.273 -15.185 1.00 51.02 C ATOM 797 CG LEU A 48 26.036 -68.895 -15.733 1.00 50.44 C ATOM 798 CD1 LEU A 48 25.377 -68.050 -14.653 1.00 65.25 C ATOM 799 CD2 LEU A 48 27.267 -68.192 -16.286 1.00 42.51 C ATOM 0 H LEU A 48 25.272 -70.645 -13.027 1.00 51.11 H new ATOM 0 HA LEU A 48 24.448 -70.987 -15.709 1.00 60.41 H new ATOM 0 HB2 LEU A 48 26.879 -70.140 -14.211 1.00 51.02 H new ATOM 0 HB3 LEU A 48 27.155 -70.715 -15.844 1.00 51.02 H new ATOM 0 HG LEU A 48 25.323 -69.029 -16.546 1.00 50.44 H new ATOM 0 HD11 LEU A 48 25.120 -67.073 -15.062 1.00 65.25 H new ATOM 0 HD12 LEU A 48 24.472 -68.547 -14.304 1.00 65.25 H new ATOM 0 HD13 LEU A 48 26.066 -67.924 -13.818 1.00 65.25 H new ATOM 0 HD21 LEU A 48 26.984 -67.213 -16.672 1.00 42.51 H new ATOM 0 HD22 LEU A 48 28.004 -68.070 -15.492 1.00 42.51 H new ATOM 0 HD23 LEU A 48 27.696 -68.789 -17.091 1.00 42.51 H new ATOM 811 N PHE A 49 25.905 -73.509 -14.377 1.00 21.42 N ATOM 812 CA PHE A 49 26.353 -74.881 -14.588 1.00 33.11 C ATOM 813 C PHE A 49 25.373 -75.642 -15.477 1.00 24.12 C ATOM 814 O PHE A 49 25.722 -76.659 -16.074 1.00 25.41 O ATOM 815 CB PHE A 49 26.508 -75.602 -13.247 1.00 15.40 C ATOM 816 CG PHE A 49 25.215 -76.142 -12.704 1.00 65.02 C ATOM 817 CD1 PHE A 49 25.095 -77.481 -12.370 1.00 63.32 C ATOM 818 CD2 PHE A 49 24.121 -75.311 -12.528 1.00 50.35 C ATOM 819 CE1 PHE A 49 23.908 -77.982 -11.870 1.00 52.22 C ATOM 820 CE2 PHE A 49 22.931 -75.805 -12.028 1.00 63.44 C ATOM 821 CZ PHE A 49 22.824 -77.143 -11.700 1.00 41.21 C ATOM 0 H PHE A 49 25.747 -73.263 -13.400 1.00 21.42 H new ATOM 0 HA PHE A 49 27.321 -74.848 -15.088 1.00 33.11 H new ATOM 0 HB2 PHE A 49 27.215 -76.423 -13.365 1.00 15.40 H new ATOM 0 HB3 PHE A 49 26.938 -74.913 -12.520 1.00 15.40 H new ATOM 0 HD1 PHE A 49 25.939 -78.141 -12.502 1.00 63.32 H new ATOM 0 HD2 PHE A 49 24.199 -74.265 -12.784 1.00 50.35 H new ATOM 0 HE1 PHE A 49 23.828 -79.028 -11.613 1.00 52.22 H new ATOM 0 HE2 PHE A 49 22.086 -75.146 -11.894 1.00 63.44 H new ATOM 0 HZ PHE A 49 21.894 -77.532 -11.311 1.00 41.21 H new ATOM 831 N ASN A 50 24.145 -75.141 -15.558 1.00 42.45 N ATOM 832 CA ASN A 50 23.114 -75.773 -16.373 1.00 61.11 C ATOM 833 C ASN A 50 23.194 -75.295 -17.820 1.00 1.33 C ATOM 834 O ASN A 50 22.374 -75.672 -18.657 1.00 32.14 O ATOM 835 CB ASN A 50 21.727 -75.473 -15.801 1.00 2.20 C ATOM 836 CG ASN A 50 20.634 -76.267 -16.489 1.00 33.35 C ATOM 837 OD1 ASN A 50 20.647 -77.498 -16.481 1.00 64.34 O ATOM 838 ND2 ASN A 50 19.679 -75.564 -17.087 1.00 63.53 N ATOM 0 H ASN A 50 23.839 -74.299 -15.069 1.00 42.45 H new ATOM 0 HA ASN A 50 23.282 -76.850 -16.355 1.00 61.11 H new ATOM 0 HB2 ASN A 50 21.720 -75.699 -14.735 1.00 2.20 H new ATOM 0 HB3 ASN A 50 21.518 -74.408 -15.903 1.00 2.20 H new ATOM 0 HD21 ASN A 50 18.916 -76.043 -17.565 1.00 63.53 H new ATOM 0 HD22 ASN A 50 19.709 -74.545 -17.068 1.00 63.53 H new ATOM 845 N LYS A 51 24.189 -74.462 -18.107 1.00 54.24 N ATOM 846 CA LYS A 51 24.379 -73.932 -19.452 1.00 72.35 C ATOM 847 C LYS A 51 24.562 -75.062 -20.461 1.00 42.20 C ATOM 848 O LYS A 51 24.090 -74.978 -21.595 1.00 2.21 O ATOM 849 CB LYS A 51 25.592 -73.000 -19.489 1.00 12.11 C ATOM 850 CG LYS A 51 26.907 -73.701 -19.197 1.00 20.15 C ATOM 851 CD LYS A 51 28.042 -72.706 -19.019 1.00 31.42 C ATOM 852 CE LYS A 51 28.657 -72.318 -20.355 1.00 13.24 C ATOM 853 NZ LYS A 51 29.797 -71.374 -20.187 1.00 35.20 N ATOM 0 H LYS A 51 24.876 -74.139 -17.426 1.00 54.24 H new ATOM 0 HA LYS A 51 23.487 -73.367 -19.722 1.00 72.35 H new ATOM 0 HB2 LYS A 51 25.650 -72.532 -20.472 1.00 12.11 H new ATOM 0 HB3 LYS A 51 25.447 -72.200 -18.763 1.00 12.11 H new ATOM 0 HG2 LYS A 51 26.806 -74.304 -18.295 1.00 20.15 H new ATOM 0 HG3 LYS A 51 27.145 -74.384 -20.012 1.00 20.15 H new ATOM 0 HD2 LYS A 51 27.670 -71.814 -18.516 1.00 31.42 H new ATOM 0 HD3 LYS A 51 28.809 -73.138 -18.376 1.00 31.42 H new ATOM 0 HE2 LYS A 51 29.001 -73.215 -20.871 1.00 13.24 H new ATOM 0 HE3 LYS A 51 27.896 -71.859 -20.986 1.00 13.24 H new ATOM 0 HZ1 LYS A 51 30.189 -71.134 -21.120 1.00 35.20 H new ATOM 0 HZ2 LYS A 51 29.464 -70.508 -19.718 1.00 35.20 H new ATOM 0 HZ3 LYS A 51 30.535 -71.821 -19.606 1.00 35.20 H new ATOM 867 N VAL A 52 25.250 -76.119 -20.040 1.00 75.04 N ATOM 868 CA VAL A 52 25.493 -77.267 -20.906 1.00 53.31 C ATOM 869 C VAL A 52 25.650 -78.546 -20.092 1.00 1.23 C ATOM 870 O VAL A 52 26.761 -79.042 -19.901 1.00 2.52 O ATOM 871 CB VAL A 52 26.752 -77.062 -21.769 1.00 23.13 C ATOM 872 CG1 VAL A 52 27.013 -78.287 -22.632 1.00 24.13 C ATOM 873 CG2 VAL A 52 26.612 -75.814 -22.628 1.00 23.52 C ATOM 0 H VAL A 52 25.649 -76.204 -19.105 1.00 75.04 H new ATOM 0 HA VAL A 52 24.625 -77.360 -21.559 1.00 53.31 H new ATOM 0 HB VAL A 52 27.607 -76.925 -21.107 1.00 23.13 H new ATOM 0 HG11 VAL A 52 27.906 -78.124 -23.235 1.00 24.13 H new ATOM 0 HG12 VAL A 52 27.161 -79.158 -21.993 1.00 24.13 H new ATOM 0 HG13 VAL A 52 26.159 -78.459 -23.288 1.00 24.13 H new ATOM 0 HG21 VAL A 52 27.511 -75.685 -23.231 1.00 23.52 H new ATOM 0 HG22 VAL A 52 25.747 -75.918 -23.283 1.00 23.52 H new ATOM 0 HG23 VAL A 52 26.478 -74.944 -21.986 1.00 23.52 H new ATOM 883 N THR A 53 24.530 -79.078 -19.613 1.00 13.31 N ATOM 884 CA THR A 53 24.542 -80.299 -18.818 1.00 63.31 C ATOM 885 C THR A 53 24.440 -81.534 -19.706 1.00 74.01 C ATOM 886 O THR A 53 25.440 -82.198 -19.983 1.00 11.53 O ATOM 887 CB THR A 53 23.389 -80.317 -17.798 1.00 33.54 C ATOM 888 OG1 THR A 53 22.209 -79.753 -18.381 1.00 61.55 O ATOM 889 CG2 THR A 53 23.762 -79.540 -16.545 1.00 2.43 C ATOM 0 H THR A 53 23.602 -78.682 -19.762 1.00 13.31 H new ATOM 0 HA THR A 53 25.491 -80.318 -18.282 1.00 63.31 H new ATOM 0 HB THR A 53 23.197 -81.353 -17.520 1.00 33.54 H new ATOM 0 HG1 THR A 53 21.823 -79.094 -17.767 1.00 61.55 H new ATOM 0 HG21 THR A 53 22.932 -79.567 -15.839 1.00 2.43 H new ATOM 0 HG22 THR A 53 24.643 -79.990 -16.087 1.00 2.43 H new ATOM 0 HG23 THR A 53 23.980 -78.505 -16.810 1.00 2.43 H new ATOM 897 N LEU A 54 23.225 -81.837 -20.151 1.00 63.51 N ATOM 898 CA LEU A 54 22.992 -82.994 -21.010 1.00 12.52 C ATOM 899 C LEU A 54 22.646 -82.556 -22.430 1.00 23.34 C ATOM 900 O LEU A 54 23.472 -82.650 -23.337 1.00 4.21 O ATOM 901 CB LEU A 54 21.864 -83.857 -20.441 1.00 42.40 C ATOM 902 CG LEU A 54 22.171 -84.583 -19.131 1.00 34.21 C ATOM 903 CD1 LEU A 54 20.902 -85.183 -18.544 1.00 3.32 C ATOM 904 CD2 LEU A 54 23.220 -85.663 -19.353 1.00 10.34 C ATOM 0 H LEU A 54 22.387 -81.299 -19.932 1.00 63.51 H new ATOM 0 HA LEU A 54 23.909 -83.582 -21.044 1.00 12.52 H new ATOM 0 HB2 LEU A 54 20.991 -83.223 -20.286 1.00 42.40 H new ATOM 0 HB3 LEU A 54 21.589 -84.600 -21.189 1.00 42.40 H new ATOM 0 HG LEU A 54 22.569 -83.858 -18.421 1.00 34.21 H new ATOM 0 HD11 LEU A 54 21.139 -85.696 -17.612 1.00 3.32 H new ATOM 0 HD12 LEU A 54 20.181 -84.389 -18.348 1.00 3.32 H new ATOM 0 HD13 LEU A 54 20.475 -85.894 -19.251 1.00 3.32 H new ATOM 0 HD21 LEU A 54 23.426 -86.169 -18.410 1.00 10.34 H new ATOM 0 HD22 LEU A 54 22.850 -86.386 -20.080 1.00 10.34 H new ATOM 0 HD23 LEU A 54 24.137 -85.208 -19.729 1.00 10.34 H new ATOM 916 N ALA A 55 21.421 -82.077 -22.614 1.00 15.32 N ATOM 917 CA ALA A 55 20.967 -81.621 -23.922 1.00 2.10 C ATOM 918 C ALA A 55 21.222 -80.128 -24.102 1.00 21.22 C ATOM 919 O ALA A 55 21.298 -79.633 -25.226 1.00 51.14 O ATOM 920 CB ALA A 55 19.489 -81.932 -24.106 1.00 42.21 C ATOM 0 H ALA A 55 20.724 -81.994 -21.874 1.00 15.32 H new ATOM 0 HA ALA A 55 21.537 -82.155 -24.683 1.00 2.10 H new ATOM 0 HB1 ALA A 55 19.164 -81.586 -25.087 1.00 42.21 H new ATOM 0 HB2 ALA A 55 19.331 -83.008 -24.030 1.00 42.21 H new ATOM 0 HB3 ALA A 55 18.912 -81.425 -23.333 1.00 42.21 H new ATOM 926 N ASP A 56 21.353 -79.417 -22.988 1.00 11.33 N ATOM 927 CA ASP A 56 21.600 -77.980 -23.023 1.00 13.14 C ATOM 928 C ASP A 56 22.748 -77.649 -23.970 1.00 42.34 C ATOM 929 O ASP A 56 22.803 -76.558 -24.538 1.00 74.32 O ATOM 930 CB ASP A 56 21.915 -77.461 -21.619 1.00 13.32 C ATOM 931 CG ASP A 56 20.745 -76.722 -20.999 1.00 10.02 C ATOM 932 OD1 ASP A 56 19.776 -77.390 -20.580 1.00 11.51 O ATOM 933 OD2 ASP A 56 20.799 -75.476 -20.932 1.00 31.44 O ATOM 0 H ASP A 56 21.292 -79.812 -22.049 1.00 11.33 H new ATOM 0 HA ASP A 56 20.698 -77.490 -23.389 1.00 13.14 H new ATOM 0 HB2 ASP A 56 22.192 -78.299 -20.979 1.00 13.32 H new ATOM 0 HB3 ASP A 56 22.777 -76.796 -21.666 1.00 13.32 H new ATOM 938 N ALA A 57 23.665 -78.597 -24.135 1.00 53.14 N ATOM 939 CA ALA A 57 24.811 -78.406 -25.015 1.00 25.23 C ATOM 940 C ALA A 57 24.371 -77.938 -26.398 1.00 20.44 C ATOM 941 O ALA A 57 25.080 -77.185 -27.064 1.00 13.03 O ATOM 942 CB ALA A 57 25.614 -79.694 -25.122 1.00 23.20 C ATOM 0 H ALA A 57 23.636 -79.505 -23.671 1.00 53.14 H new ATOM 0 HA ALA A 57 25.444 -77.631 -24.583 1.00 25.23 H new ATOM 0 HB1 ALA A 57 26.467 -79.537 -25.782 1.00 23.20 H new ATOM 0 HB2 ALA A 57 25.969 -79.985 -24.133 1.00 23.20 H new ATOM 0 HB3 ALA A 57 24.982 -80.484 -25.527 1.00 23.20 H new ATOM 948 N GLY A 58 23.196 -78.391 -26.824 1.00 72.12 N ATOM 949 CA GLY A 58 22.682 -78.009 -28.126 1.00 52.34 C ATOM 950 C GLY A 58 22.090 -76.613 -28.129 1.00 72.31 C ATOM 951 O GLY A 58 22.092 -75.932 -29.155 1.00 5.14 O ATOM 0 H GLY A 58 22.591 -79.016 -26.291 1.00 72.12 H new ATOM 0 HA2 GLY A 58 23.486 -78.061 -28.860 1.00 52.34 H new ATOM 0 HA3 GLY A 58 21.920 -78.724 -28.437 1.00 52.34 H new ATOM 955 N PHE A 59 21.579 -76.187 -26.979 1.00 1.32 N ATOM 956 CA PHE A 59 20.978 -74.864 -26.853 1.00 40.00 C ATOM 957 C PHE A 59 22.030 -73.771 -27.014 1.00 4.11 C ATOM 958 O PHE A 59 21.721 -72.653 -27.425 1.00 43.10 O ATOM 959 CB PHE A 59 20.283 -74.723 -25.497 1.00 63.11 C ATOM 960 CG PHE A 59 19.186 -73.698 -25.490 1.00 14.24 C ATOM 961 CD1 PHE A 59 17.977 -73.953 -26.118 1.00 3.42 C ATOM 962 CD2 PHE A 59 19.362 -72.479 -24.855 1.00 5.02 C ATOM 963 CE1 PHE A 59 16.965 -73.012 -26.112 1.00 51.55 C ATOM 964 CE2 PHE A 59 18.354 -71.534 -24.846 1.00 32.32 C ATOM 965 CZ PHE A 59 17.154 -71.800 -25.476 1.00 60.34 C ATOM 0 H PHE A 59 21.569 -76.738 -26.121 1.00 1.32 H new ATOM 0 HA PHE A 59 20.239 -74.752 -27.646 1.00 40.00 H new ATOM 0 HB2 PHE A 59 19.869 -75.689 -25.208 1.00 63.11 H new ATOM 0 HB3 PHE A 59 21.024 -74.456 -24.744 1.00 63.11 H new ATOM 0 HD1 PHE A 59 17.824 -74.898 -26.618 1.00 3.42 H new ATOM 0 HD2 PHE A 59 20.298 -72.265 -24.361 1.00 5.02 H new ATOM 0 HE1 PHE A 59 16.027 -73.224 -26.604 1.00 51.55 H new ATOM 0 HE2 PHE A 59 18.504 -70.588 -24.347 1.00 32.32 H new ATOM 0 HZ PHE A 59 16.365 -71.062 -25.472 1.00 60.34 H new ATOM 975 N MET A 60 23.275 -74.103 -26.686 1.00 52.01 N ATOM 976 CA MET A 60 24.373 -73.150 -26.795 1.00 25.23 C ATOM 977 C MET A 60 24.474 -72.595 -28.212 1.00 34.11 C ATOM 978 O MET A 60 24.964 -71.485 -28.422 1.00 72.41 O ATOM 979 CB MET A 60 25.694 -73.815 -26.400 1.00 51.42 C ATOM 980 CG MET A 60 26.866 -72.848 -26.339 1.00 32.50 C ATOM 981 SD MET A 60 26.688 -71.623 -25.028 1.00 50.15 S ATOM 982 CE MET A 60 27.982 -72.140 -23.903 1.00 42.05 C ATOM 0 H MET A 60 23.548 -75.024 -26.343 1.00 52.01 H new ATOM 0 HA MET A 60 24.172 -72.323 -26.114 1.00 25.23 H new ATOM 0 HB2 MET A 60 25.575 -74.291 -25.427 1.00 51.42 H new ATOM 0 HB3 MET A 60 25.922 -74.605 -27.116 1.00 51.42 H new ATOM 0 HG2 MET A 60 27.787 -73.409 -26.184 1.00 32.50 H new ATOM 0 HG3 MET A 60 26.961 -72.338 -27.297 1.00 32.50 H new ATOM 0 HE1 MET A 60 28.229 -71.319 -23.230 1.00 42.05 H new ATOM 0 HE2 MET A 60 27.638 -72.995 -23.321 1.00 42.05 H new ATOM 0 HE3 MET A 60 28.868 -72.421 -24.472 1.00 42.05 H new ATOM 992 N LYS A 61 24.007 -73.374 -29.182 1.00 15.21 N ATOM 993 CA LYS A 61 24.042 -72.960 -30.580 1.00 22.43 C ATOM 994 C LYS A 61 23.131 -71.760 -30.815 1.00 45.25 C ATOM 995 O LYS A 61 23.271 -71.051 -31.812 1.00 14.23 O ATOM 996 CB LYS A 61 23.621 -74.119 -31.487 1.00 23.15 C ATOM 997 CG LYS A 61 23.480 -73.728 -32.947 1.00 41.14 C ATOM 998 CD LYS A 61 23.060 -74.911 -33.803 1.00 62.04 C ATOM 999 CE LYS A 61 22.371 -74.458 -35.081 1.00 54.30 C ATOM 1000 NZ LYS A 61 23.257 -73.599 -35.915 1.00 14.02 N ATOM 0 H LYS A 61 23.600 -74.296 -29.026 1.00 15.21 H new ATOM 0 HA LYS A 61 25.065 -72.670 -30.822 1.00 22.43 H new ATOM 0 HB2 LYS A 61 24.355 -74.920 -31.403 1.00 23.15 H new ATOM 0 HB3 LYS A 61 22.671 -74.519 -31.133 1.00 23.15 H new ATOM 0 HG2 LYS A 61 22.744 -72.930 -33.041 1.00 41.14 H new ATOM 0 HG3 LYS A 61 24.428 -73.332 -33.312 1.00 41.14 H new ATOM 0 HD2 LYS A 61 23.936 -75.509 -34.053 1.00 62.04 H new ATOM 0 HD3 LYS A 61 22.388 -75.553 -33.234 1.00 62.04 H new ATOM 0 HE2 LYS A 61 22.065 -75.331 -35.657 1.00 54.30 H new ATOM 0 HE3 LYS A 61 21.464 -73.908 -34.829 1.00 54.30 H new ATOM 0 HZ1 LYS A 61 22.797 -73.409 -36.828 1.00 14.02 H new ATOM 0 HZ2 LYS A 61 23.433 -72.700 -35.422 1.00 14.02 H new ATOM 0 HZ3 LYS A 61 24.161 -74.087 -36.078 1.00 14.02 H new ATOM 1014 N GLN A 62 22.202 -71.538 -29.892 1.00 54.21 N ATOM 1015 CA GLN A 62 21.269 -70.422 -30.000 1.00 42.05 C ATOM 1016 C GLN A 62 21.942 -69.110 -29.610 1.00 64.31 C ATOM 1017 O GLN A 62 21.354 -68.036 -29.740 1.00 62.41 O ATOM 1018 CB GLN A 62 20.046 -70.664 -29.115 1.00 32.41 C ATOM 1019 CG GLN A 62 18.818 -69.878 -29.545 1.00 71.23 C ATOM 1020 CD GLN A 62 18.723 -68.526 -28.867 1.00 4.13 C ATOM 1021 OE1 GLN A 62 18.628 -67.492 -29.528 1.00 54.24 O ATOM 1022 NE2 GLN A 62 18.750 -68.526 -27.539 1.00 74.31 N ATOM 0 H GLN A 62 22.075 -72.116 -29.061 1.00 54.21 H new ATOM 0 HA GLN A 62 20.948 -70.350 -31.039 1.00 42.05 H new ATOM 0 HB2 GLN A 62 19.807 -71.728 -29.123 1.00 32.41 H new ATOM 0 HB3 GLN A 62 20.294 -70.400 -28.087 1.00 32.41 H new ATOM 0 HG2 GLN A 62 18.842 -69.737 -30.626 1.00 71.23 H new ATOM 0 HG3 GLN A 62 17.923 -70.457 -29.318 1.00 71.23 H new ATOM 0 HE21 GLN A 62 18.830 -69.407 -27.031 1.00 74.31 H new ATOM 0 HE22 GLN A 62 18.691 -67.645 -27.028 1.00 74.31 H new ATOM 1031 N TYR A 63 23.178 -69.205 -29.131 1.00 53.21 N ATOM 1032 CA TYR A 63 23.930 -68.026 -28.719 1.00 10.21 C ATOM 1033 C TYR A 63 23.939 -66.972 -29.822 1.00 61.23 C ATOM 1034 O TYR A 63 24.000 -65.774 -29.552 1.00 13.44 O ATOM 1035 CB TYR A 63 25.365 -68.412 -28.355 1.00 54.22 C ATOM 1036 CG TYR A 63 26.250 -68.655 -29.557 1.00 15.12 C ATOM 1037 CD1 TYR A 63 27.401 -67.903 -29.760 1.00 34.53 C ATOM 1038 CD2 TYR A 63 25.934 -69.635 -30.490 1.00 3.03 C ATOM 1039 CE1 TYR A 63 28.212 -68.121 -30.857 1.00 31.55 C ATOM 1040 CE2 TYR A 63 26.740 -69.861 -31.589 1.00 4.15 C ATOM 1041 CZ TYR A 63 27.878 -69.102 -31.768 1.00 12.43 C ATOM 1042 OH TYR A 63 28.683 -69.323 -32.862 1.00 14.42 O ATOM 0 H TYR A 63 23.680 -70.086 -29.019 1.00 53.21 H new ATOM 0 HA TYR A 63 23.441 -67.603 -27.842 1.00 10.21 H new ATOM 0 HB2 TYR A 63 25.802 -67.620 -27.747 1.00 54.22 H new ATOM 0 HB3 TYR A 63 25.346 -69.312 -27.741 1.00 54.22 H new ATOM 0 HD1 TYR A 63 27.666 -67.135 -29.048 1.00 34.53 H new ATOM 0 HD2 TYR A 63 25.043 -70.230 -30.354 1.00 3.03 H new ATOM 0 HE1 TYR A 63 29.102 -67.527 -31.001 1.00 31.55 H new ATOM 0 HE2 TYR A 63 26.481 -70.628 -32.304 1.00 4.15 H new ATOM 0 HH TYR A 63 28.307 -70.048 -33.403 1.00 14.42 H new ATOM 1052 N GLY A 64 23.878 -67.430 -31.069 1.00 53.23 N ATOM 1053 CA GLY A 64 23.879 -66.515 -32.196 1.00 64.20 C ATOM 1054 C GLY A 64 22.914 -66.937 -33.286 1.00 42.42 C ATOM 1055 O GLY A 64 21.719 -66.655 -33.208 1.00 31.23 O ATOM 0 H GLY A 64 23.828 -68.418 -31.319 1.00 53.23 H new ATOM 0 HA2 GLY A 64 23.616 -65.516 -31.849 1.00 64.20 H new ATOM 0 HA3 GLY A 64 24.886 -66.454 -32.610 1.00 64.20 H new ATOM 1059 N GLU A 65 23.434 -67.611 -34.307 1.00 23.53 N ATOM 1060 CA GLU A 65 22.609 -68.069 -35.418 1.00 64.55 C ATOM 1061 C GLU A 65 22.605 -69.593 -35.501 1.00 70.21 C ATOM 1062 O GLU A 65 21.569 -70.208 -35.754 1.00 44.43 O ATOM 1063 CB GLU A 65 23.116 -67.478 -36.736 1.00 14.23 C ATOM 1064 CG GLU A 65 24.547 -67.864 -37.066 1.00 65.20 C ATOM 1065 CD GLU A 65 25.138 -67.019 -38.178 1.00 72.54 C ATOM 1066 OE1 GLU A 65 25.609 -65.900 -37.886 1.00 63.42 O ATOM 1067 OE2 GLU A 65 25.128 -67.477 -39.340 1.00 42.32 O ATOM 0 H GLU A 65 24.422 -67.852 -34.387 1.00 23.53 H new ATOM 0 HA GLU A 65 21.588 -67.729 -35.243 1.00 64.55 H new ATOM 0 HB2 GLU A 65 22.464 -67.806 -37.546 1.00 14.23 H new ATOM 0 HB3 GLU A 65 23.044 -66.391 -36.689 1.00 14.23 H new ATOM 0 HG2 GLU A 65 25.162 -67.763 -36.172 1.00 65.20 H new ATOM 0 HG3 GLU A 65 24.578 -68.914 -37.357 1.00 65.20 H new TER 1074 GLU A 65