USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 6 LYS NZ :NH3+ -177:sc= -5.73! (180deg=-0.0546) USER MOD Set 1.2: A 7 LYS NZ :NH3+ 166:sc= -5.69! (180deg=-0.715) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.0827 (180deg=-1.11) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -4.83! C(o=-8.6!,f=-4.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -0:sc= 0.782 USER MOD Single : A 17 CYS SG : rot -150:sc= -5.6! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -34:sc= 0.168 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -170:sc= -6.39! USER MOD Single : A 56 ASN : amide:sc= -3.13 X(o=-3.1,f=-3.2!) USER MOD Single : A 57 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.94) USER MOD Single : A 58 ASN : amide:sc= -4.27! C(o=-4.3!,f=-6.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -2.59 F(o=-6.6!,f=-2.6) USER MOD Single : A 69 THR OG1 : rot 150:sc= -0.0368 USER MOD Single : A 70 HIS : no HD1:sc= -1.28! C(o=-1.3!,f=-2.5!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -99:sc= 0.405 USER MOD Single : A 78 ASN : amide:sc= -3.96! C(o=-4!,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0867) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.982 -0.620 0.911 1.00 0.00 N ATOM 2 CA MET A 1 14.265 -1.314 -0.377 1.00 0.00 C ATOM 3 C MET A 1 12.999 -1.329 -1.236 1.00 0.00 C ATOM 4 O MET A 1 11.926 -0.986 -0.782 1.00 0.00 O ATOM 5 CB MET A 1 14.708 -2.751 -0.097 1.00 0.00 C ATOM 6 CG MET A 1 15.969 -2.738 0.769 1.00 0.00 C ATOM 7 SD MET A 1 17.340 -2.025 -0.174 1.00 0.00 S ATOM 8 CE MET A 1 18.530 -1.940 1.186 1.00 0.00 C ATOM 0 H1 MET A 1 14.808 -0.051 1.188 1.00 0.00 H new ATOM 0 H2 MET A 1 13.156 0.001 0.796 1.00 0.00 H new ATOM 0 H3 MET A 1 13.785 -1.325 1.649 1.00 0.00 H new ATOM 0 HA MET A 1 15.058 -0.787 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.912 -3.296 0.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.903 -3.272 -1.035 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.795 -2.157 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.218 -3.752 1.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.468 -1.521 0.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.132 -1.306 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.707 -2.942 1.577 1.00 0.00 H new ATOM 20 N GLU A 2 13.115 -1.720 -2.477 1.00 0.00 N ATOM 21 CA GLU A 2 11.918 -1.754 -3.362 1.00 0.00 C ATOM 22 C GLU A 2 11.106 -3.020 -3.077 1.00 0.00 C ATOM 23 O GLU A 2 11.622 -4.119 -3.120 1.00 0.00 O ATOM 24 CB GLU A 2 12.367 -1.755 -4.826 1.00 0.00 C ATOM 25 CG GLU A 2 13.298 -0.567 -5.077 1.00 0.00 C ATOM 26 CD GLU A 2 13.847 -0.641 -6.503 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.766 -1.412 -6.724 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.338 0.075 -7.350 1.00 0.00 O ATOM 0 H GLU A 2 13.987 -2.017 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 2 11.300 -0.877 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.880 -2.688 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.499 -1.696 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.758 0.369 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.118 -0.576 -4.359 1.00 0.00 H new ATOM 35 N TRP A 3 9.838 -2.874 -2.784 1.00 0.00 N ATOM 36 CA TRP A 3 8.983 -4.066 -2.493 1.00 0.00 C ATOM 37 C TRP A 3 8.162 -4.419 -3.734 1.00 0.00 C ATOM 38 O TRP A 3 8.258 -3.773 -4.759 1.00 0.00 O ATOM 39 CB TRP A 3 8.035 -3.739 -1.337 1.00 0.00 C ATOM 40 CG TRP A 3 8.803 -3.108 -0.221 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.377 -1.883 -0.267 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.092 -3.645 1.103 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.999 -1.634 0.944 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.851 -2.691 1.821 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.772 -4.855 1.743 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.277 -2.929 3.128 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.200 -5.099 3.060 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.951 -4.137 3.749 1.00 0.00 C ATOM 0 H TRP A 3 9.356 -1.976 -2.734 1.00 0.00 H new ATOM 0 HA TRP A 3 9.616 -4.911 -2.221 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.249 -3.065 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.546 -4.648 -0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.353 -1.210 -1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.505 -0.775 1.162 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.194 -5.602 1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.855 -2.185 3.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.949 -6.032 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.278 -4.330 4.760 1.00 0.00 H new ATOM 59 N TRP A 4 7.352 -5.444 -3.648 1.00 0.00 N ATOM 60 CA TRP A 4 6.511 -5.852 -4.817 1.00 0.00 C ATOM 61 C TRP A 4 5.116 -6.231 -4.318 1.00 0.00 C ATOM 62 O TRP A 4 4.967 -7.019 -3.407 1.00 0.00 O ATOM 63 CB TRP A 4 7.150 -7.059 -5.506 1.00 0.00 C ATOM 64 CG TRP A 4 8.518 -6.694 -5.987 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.594 -6.498 -5.191 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.976 -6.480 -7.353 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.683 -6.176 -5.981 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.352 -6.152 -7.322 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.337 -6.537 -8.605 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.068 -5.891 -8.490 1.00 0.00 C ATOM 71 CZ3 TRP A 4 9.054 -6.274 -9.783 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.418 -5.952 -9.725 1.00 0.00 C ATOM 0 H TRP A 4 7.236 -6.020 -2.814 1.00 0.00 H new ATOM 0 HA TRP A 4 6.438 -5.027 -5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.209 -7.898 -4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.532 -7.381 -6.344 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.602 -6.580 -4.114 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.616 -5.980 -5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.287 -6.785 -8.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.118 -5.643 -8.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.553 -6.320 -10.739 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.965 -5.751 -10.634 1.00 0.00 H new ATOM 83 N VAL A 5 4.090 -5.673 -4.903 1.00 0.00 N ATOM 84 CA VAL A 5 2.709 -6.004 -4.450 1.00 0.00 C ATOM 85 C VAL A 5 2.279 -7.351 -5.032 1.00 0.00 C ATOM 86 O VAL A 5 2.640 -7.704 -6.138 1.00 0.00 O ATOM 87 CB VAL A 5 1.742 -4.917 -4.921 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.032 -3.615 -4.174 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.918 -4.692 -6.424 1.00 0.00 C ATOM 0 H VAL A 5 4.148 -5.005 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 5 2.695 -6.061 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 5 0.718 -5.231 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.342 -2.841 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.905 -3.774 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.056 -3.301 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.228 -3.917 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.942 -4.379 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.709 -5.619 -6.958 1.00 0.00 H new ATOM 99 N LYS A 6 1.499 -8.102 -4.292 1.00 0.00 N ATOM 100 CA LYS A 6 1.016 -9.434 -4.777 1.00 0.00 C ATOM 101 C LYS A 6 -0.512 -9.415 -4.827 1.00 0.00 C ATOM 102 O LYS A 6 -1.133 -10.149 -5.571 1.00 0.00 O ATOM 103 CB LYS A 6 1.478 -10.526 -3.811 1.00 0.00 C ATOM 104 CG LYS A 6 1.225 -11.900 -4.433 1.00 0.00 C ATOM 105 CD LYS A 6 1.597 -12.993 -3.428 1.00 0.00 C ATOM 106 CE LYS A 6 1.422 -14.367 -4.079 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.031 -14.685 -4.183 1.00 0.00 N ATOM 0 H LYS A 6 1.172 -7.845 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 6 1.419 -9.636 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.538 -10.405 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.943 -10.439 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.177 -11.995 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.814 -12.013 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.628 -12.863 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.967 -12.916 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.879 -14.373 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.931 -15.129 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.150 -15.640 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.464 -14.645 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.494 -13.992 -4.805 1.00 0.00 H new ATOM 121 N LYS A 7 -1.123 -8.571 -4.039 1.00 0.00 N ATOM 122 CA LYS A 7 -2.612 -8.485 -4.029 1.00 0.00 C ATOM 123 C LYS A 7 -3.025 -7.087 -3.569 1.00 0.00 C ATOM 124 O LYS A 7 -2.266 -6.387 -2.928 1.00 0.00 O ATOM 125 CB LYS A 7 -3.183 -9.528 -3.065 1.00 0.00 C ATOM 126 CG LYS A 7 -2.949 -10.934 -3.623 1.00 0.00 C ATOM 127 CD LYS A 7 -3.799 -11.941 -2.846 1.00 0.00 C ATOM 128 CE LYS A 7 -3.675 -13.321 -3.493 1.00 0.00 C ATOM 129 NZ LYS A 7 -2.236 -13.696 -3.590 1.00 0.00 N ATOM 0 H LYS A 7 -0.651 -7.933 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.997 -8.675 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.709 -9.431 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.250 -9.357 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.208 -10.964 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.894 -11.196 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.472 -11.984 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.842 -11.624 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.216 -14.061 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.127 -13.312 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.155 -14.711 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.784 -13.146 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.763 -13.494 -2.686 1.00 0.00 H new ATOM 143 N VAL A 8 -4.220 -6.668 -3.889 1.00 0.00 N ATOM 144 CA VAL A 8 -4.666 -5.311 -3.462 1.00 0.00 C ATOM 145 C VAL A 8 -6.191 -5.224 -3.510 1.00 0.00 C ATOM 146 O VAL A 8 -6.843 -5.900 -4.282 1.00 0.00 O ATOM 147 CB VAL A 8 -4.059 -4.257 -4.397 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.344 -4.640 -5.852 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.674 -2.882 -4.100 1.00 0.00 C ATOM 0 H VAL A 8 -4.903 -7.204 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.332 -5.128 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.982 -4.211 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.913 -3.891 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.901 -5.613 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.421 -4.689 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.239 -2.137 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.752 -2.924 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.468 -2.607 -3.066 1.00 0.00 H new ATOM 159 N GLN A 9 -6.760 -4.382 -2.687 1.00 0.00 N ATOM 160 CA GLN A 9 -8.247 -4.215 -2.661 1.00 0.00 C ATOM 161 C GLN A 9 -8.574 -2.722 -2.588 1.00 0.00 C ATOM 162 O GLN A 9 -8.126 -2.023 -1.701 1.00 0.00 O ATOM 163 CB GLN A 9 -8.817 -4.926 -1.431 1.00 0.00 C ATOM 164 CG GLN A 9 -8.189 -6.316 -1.309 1.00 0.00 C ATOM 165 CD GLN A 9 -8.972 -7.144 -0.289 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.114 -7.490 -0.518 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.403 -7.478 0.837 1.00 0.00 N ATOM 0 H GLN A 9 -6.253 -3.796 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.687 -4.646 -3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.613 -4.343 -0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.900 -5.011 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.194 -6.815 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.147 -6.230 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.444 -7.188 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.917 -8.029 1.524 1.00 0.00 H new ATOM 176 N ASP A 10 -9.344 -2.225 -3.516 1.00 0.00 N ATOM 177 CA ASP A 10 -9.687 -0.774 -3.502 1.00 0.00 C ATOM 178 C ASP A 10 -10.316 -0.405 -2.155 1.00 0.00 C ATOM 179 O ASP A 10 -10.590 -1.255 -1.331 1.00 0.00 O ATOM 180 CB ASP A 10 -10.673 -0.471 -4.634 1.00 0.00 C ATOM 181 CG ASP A 10 -10.252 -1.230 -5.894 1.00 0.00 C ATOM 182 OD1 ASP A 10 -9.235 -0.871 -6.465 1.00 0.00 O ATOM 183 OD2 ASP A 10 -10.953 -2.156 -6.265 1.00 0.00 O ATOM 0 H ASP A 10 -9.751 -2.760 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.780 -0.186 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.681 -0.763 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.697 0.600 -4.833 1.00 0.00 H new ATOM 188 N ASN A 11 -10.542 0.860 -1.926 1.00 0.00 N ATOM 189 CA ASN A 11 -11.147 1.293 -0.636 1.00 0.00 C ATOM 190 C ASN A 11 -12.654 1.040 -0.667 1.00 0.00 C ATOM 191 O ASN A 11 -13.449 1.939 -0.478 1.00 0.00 O ATOM 192 CB ASN A 11 -10.888 2.787 -0.426 1.00 0.00 C ATOM 193 CG ASN A 11 -11.211 3.545 -1.715 1.00 0.00 C ATOM 194 OD1 ASN A 11 -11.871 2.941 -2.664 1.00 0.00 O flip ATOM 195 ND2 ASN A 11 -10.859 4.698 -1.858 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.333 1.614 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.700 0.727 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.502 3.162 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.848 2.951 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.343 5.170 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.079 5.195 -2.721 1.00 0.00 H new ATOM 202 N ALA A 12 -13.053 -0.177 -0.902 1.00 0.00 N ATOM 203 CA ALA A 12 -14.508 -0.484 -0.944 1.00 0.00 C ATOM 204 C ALA A 12 -15.146 -0.099 0.393 1.00 0.00 C ATOM 205 O ALA A 12 -16.352 -0.098 0.539 1.00 0.00 O ATOM 206 CB ALA A 12 -14.702 -1.980 -1.194 1.00 0.00 C ATOM 0 H ALA A 12 -12.435 -0.972 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.980 0.082 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.767 -2.209 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.244 -2.252 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.233 -2.547 -0.390 1.00 0.00 H new ATOM 212 N SER A 13 -14.343 0.230 1.369 1.00 0.00 N ATOM 213 CA SER A 13 -14.899 0.617 2.696 1.00 0.00 C ATOM 214 C SER A 13 -15.311 2.091 2.663 1.00 0.00 C ATOM 215 O SER A 13 -16.387 2.453 3.096 1.00 0.00 O ATOM 216 CB SER A 13 -13.830 0.410 3.772 1.00 0.00 C ATOM 217 OG SER A 13 -13.696 -0.980 4.037 1.00 0.00 O ATOM 0 H SER A 13 -13.325 0.247 1.304 1.00 0.00 H new ATOM 0 HA SER A 13 -15.769 0.001 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.877 0.822 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.106 0.941 4.683 1.00 0.00 H new ATOM 0 HG SER A 13 -13.011 -1.117 4.724 1.00 0.00 H new ATOM 223 N ALA A 14 -14.462 2.940 2.151 1.00 0.00 N ATOM 224 CA ALA A 14 -14.795 4.391 2.085 1.00 0.00 C ATOM 225 C ALA A 14 -13.607 5.152 1.490 1.00 0.00 C ATOM 226 O ALA A 14 -13.761 5.984 0.618 1.00 0.00 O ATOM 227 CB ALA A 14 -15.090 4.916 3.497 1.00 0.00 C ATOM 0 H ALA A 14 -13.548 2.689 1.774 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.674 4.538 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.333 5.977 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.933 4.370 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.213 4.774 4.129 1.00 0.00 H new ATOM 233 N SER A 15 -12.421 4.871 1.958 1.00 0.00 N ATOM 234 CA SER A 15 -11.220 5.573 1.424 1.00 0.00 C ATOM 235 C SER A 15 -9.959 4.905 1.973 1.00 0.00 C ATOM 236 O SER A 15 -8.946 5.545 2.178 1.00 0.00 O ATOM 237 CB SER A 15 -11.249 7.037 1.862 1.00 0.00 C ATOM 238 OG SER A 15 -12.236 7.733 1.112 1.00 0.00 O ATOM 0 H SER A 15 -12.232 4.184 2.688 1.00 0.00 H new ATOM 0 HA SER A 15 -11.220 5.519 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.470 7.105 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.271 7.494 1.709 1.00 0.00 H new ATOM 0 HG SER A 15 -12.667 7.115 0.485 1.00 0.00 H new ATOM 244 N LEU A 16 -10.016 3.618 2.215 1.00 0.00 N ATOM 245 CA LEU A 16 -8.828 2.887 2.757 1.00 0.00 C ATOM 246 C LEU A 16 -8.612 1.603 1.957 1.00 0.00 C ATOM 247 O LEU A 16 -9.341 0.641 2.101 1.00 0.00 O ATOM 248 CB LEU A 16 -9.080 2.523 4.225 1.00 0.00 C ATOM 249 CG LEU A 16 -9.141 3.796 5.089 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.894 3.497 6.388 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.723 4.275 5.435 1.00 0.00 C ATOM 0 H LEU A 16 -10.841 3.038 2.059 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.946 3.523 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.015 1.970 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.287 1.868 4.586 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.657 4.575 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.937 4.398 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.907 3.169 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.375 2.711 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.782 5.176 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.200 3.495 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.179 4.495 4.516 1.00 0.00 H new ATOM 263 N CYS A 17 -7.607 1.574 1.122 1.00 0.00 N ATOM 264 CA CYS A 17 -7.329 0.347 0.318 1.00 0.00 C ATOM 265 C CYS A 17 -6.253 -0.466 1.031 1.00 0.00 C ATOM 266 O CYS A 17 -5.415 0.080 1.714 1.00 0.00 O ATOM 267 CB CYS A 17 -6.823 0.753 -1.067 1.00 0.00 C ATOM 268 SG CYS A 17 -7.993 1.907 -1.821 1.00 0.00 S ATOM 0 H CYS A 17 -6.964 2.350 0.962 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.238 -0.246 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.840 1.217 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.708 -0.129 -1.697 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.961 1.775 -3.114 1.00 0.00 H new ATOM 274 N ARG A 18 -6.266 -1.766 0.880 1.00 0.00 N ATOM 275 CA ARG A 18 -5.234 -2.620 1.551 1.00 0.00 C ATOM 276 C ARG A 18 -4.330 -3.238 0.488 1.00 0.00 C ATOM 277 O ARG A 18 -4.784 -3.648 -0.563 1.00 0.00 O ATOM 278 CB ARG A 18 -5.927 -3.734 2.340 1.00 0.00 C ATOM 279 CG ARG A 18 -6.520 -3.160 3.630 1.00 0.00 C ATOM 280 CD ARG A 18 -7.044 -4.300 4.503 1.00 0.00 C ATOM 281 NE ARG A 18 -8.279 -4.869 3.891 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.399 -4.200 3.940 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.438 -3.035 4.526 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.479 -4.697 3.404 1.00 0.00 N ATOM 0 H ARG A 18 -6.948 -2.276 0.319 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.639 -2.011 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.714 -4.185 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.214 -4.524 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.762 -2.593 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.328 -2.467 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.284 -5.075 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.258 -3.934 5.507 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.249 -5.781 3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.593 -2.647 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.313 -2.512 4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.449 -5.608 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.354 -4.175 3.442 1.00 0.00 H new ATOM 298 N VAL A 19 -3.049 -3.305 0.753 1.00 0.00 N ATOM 299 CA VAL A 19 -2.095 -3.896 -0.242 1.00 0.00 C ATOM 300 C VAL A 19 -1.147 -4.861 0.461 1.00 0.00 C ATOM 301 O VAL A 19 -0.647 -4.590 1.534 1.00 0.00 O ATOM 302 CB VAL A 19 -1.263 -2.787 -0.893 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.178 -1.818 -1.639 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.484 -2.030 0.184 1.00 0.00 C ATOM 0 H VAL A 19 -2.619 -2.975 1.617 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.670 -4.424 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.564 -3.234 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.578 -1.032 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.725 -2.357 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.884 -1.372 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.107 -1.241 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.182 -1.588 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.179 -2.720 0.707 1.00 0.00 H new ATOM 314 N VAL A 20 -0.880 -5.984 -0.150 1.00 0.00 N ATOM 315 CA VAL A 20 0.060 -6.966 0.462 1.00 0.00 C ATOM 316 C VAL A 20 1.447 -6.745 -0.142 1.00 0.00 C ATOM 317 O VAL A 20 1.663 -6.973 -1.316 1.00 0.00 O ATOM 318 CB VAL A 20 -0.406 -8.392 0.159 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.380 -9.379 1.025 1.00 0.00 C ATOM 320 CG2 VAL A 20 -1.897 -8.517 0.474 1.00 0.00 C ATOM 0 H VAL A 20 -1.273 -6.264 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 20 0.090 -6.828 1.543 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.235 -8.615 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.049 -10.395 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.444 -9.290 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.208 -9.156 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.231 -9.532 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.066 -8.295 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.459 -7.813 -0.140 1.00 0.00 H new ATOM 330 N LEU A 21 2.388 -6.290 0.642 1.00 0.00 N ATOM 331 CA LEU A 21 3.759 -6.038 0.099 1.00 0.00 C ATOM 332 C LEU A 21 4.649 -7.254 0.364 1.00 0.00 C ATOM 333 O LEU A 21 4.818 -7.683 1.488 1.00 0.00 O ATOM 334 CB LEU A 21 4.360 -4.813 0.794 1.00 0.00 C ATOM 335 CG LEU A 21 3.314 -3.700 0.864 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.940 -2.455 1.497 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.824 -3.368 -0.550 1.00 0.00 C ATOM 0 H LEU A 21 2.269 -6.082 1.633 1.00 0.00 H new ATOM 0 HA LEU A 21 3.696 -5.861 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.692 -5.078 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.238 -4.467 0.249 1.00 0.00 H new ATOM 0 HG LEU A 21 2.470 -4.030 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.196 -1.660 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.286 -2.693 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.784 -2.124 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.078 -2.575 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.666 -3.037 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.379 -4.256 -0.999 1.00 0.00 H new ATOM 349 N GLN A 22 5.217 -7.813 -0.675 1.00 0.00 N ATOM 350 CA GLN A 22 6.100 -9.007 -0.512 1.00 0.00 C ATOM 351 C GLN A 22 7.565 -8.570 -0.553 1.00 0.00 C ATOM 352 O GLN A 22 7.914 -7.588 -1.179 1.00 0.00 O ATOM 353 CB GLN A 22 5.831 -9.991 -1.654 1.00 0.00 C ATOM 354 CG GLN A 22 6.482 -11.338 -1.335 1.00 0.00 C ATOM 355 CD GLN A 22 6.376 -12.257 -2.552 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.605 -13.197 -2.552 1.00 0.00 O ATOM 357 NE2 GLN A 22 7.121 -12.026 -3.598 1.00 0.00 N ATOM 0 H GLN A 22 5.106 -7.490 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 22 5.893 -9.487 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.757 -10.118 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.228 -9.596 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.528 -11.193 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.992 -11.796 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.768 -11.238 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.056 -12.634 -4.415 1.00 0.00 H new ATOM 366 N SER A 23 8.428 -9.296 0.112 1.00 0.00 N ATOM 367 CA SER A 23 9.879 -8.932 0.120 1.00 0.00 C ATOM 368 C SER A 23 10.725 -10.207 0.067 1.00 0.00 C ATOM 369 O SER A 23 10.931 -10.869 1.065 1.00 0.00 O ATOM 370 CB SER A 23 10.203 -8.163 1.402 1.00 0.00 C ATOM 371 OG SER A 23 11.582 -8.321 1.707 1.00 0.00 O ATOM 0 H SER A 23 8.190 -10.128 0.652 1.00 0.00 H new ATOM 0 HA SER A 23 10.102 -8.310 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.965 -7.107 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.592 -8.532 2.226 1.00 0.00 H new ATOM 0 HG SER A 23 11.794 -7.828 2.527 1.00 0.00 H new ATOM 377 N GLY A 24 11.221 -10.552 -1.090 1.00 0.00 N ATOM 378 CA GLY A 24 12.057 -11.781 -1.209 1.00 0.00 C ATOM 379 C GLY A 24 11.169 -13.019 -1.072 1.00 0.00 C ATOM 380 O GLY A 24 11.104 -13.848 -1.958 1.00 0.00 O ATOM 0 H GLY A 24 11.083 -10.036 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.570 -11.793 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.827 -11.786 -0.437 1.00 0.00 H new ATOM 384 N ALA A 25 10.487 -13.151 0.031 1.00 0.00 N ATOM 385 CA ALA A 25 9.604 -14.335 0.226 1.00 0.00 C ATOM 386 C ALA A 25 8.579 -14.034 1.321 1.00 0.00 C ATOM 387 O ALA A 25 7.455 -14.494 1.276 1.00 0.00 O ATOM 388 CB ALA A 25 10.452 -15.541 0.638 1.00 0.00 C ATOM 0 H ALA A 25 10.503 -12.489 0.807 1.00 0.00 H new ATOM 0 HA ALA A 25 9.084 -14.557 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.807 -16.408 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.182 -15.757 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.972 -15.319 1.570 1.00 0.00 H new ATOM 394 N LEU A 26 8.956 -13.264 2.305 1.00 0.00 N ATOM 395 CA LEU A 26 8.001 -12.935 3.401 1.00 0.00 C ATOM 396 C LEU A 26 6.839 -12.118 2.832 1.00 0.00 C ATOM 397 O LEU A 26 6.862 -11.705 1.690 1.00 0.00 O ATOM 398 CB LEU A 26 8.722 -12.121 4.482 1.00 0.00 C ATOM 399 CG LEU A 26 10.095 -12.735 4.762 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.741 -12.017 5.948 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.935 -14.223 5.093 1.00 0.00 C ATOM 0 H LEU A 26 9.883 -12.849 2.397 1.00 0.00 H new ATOM 0 HA LEU A 26 7.617 -13.856 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.835 -11.087 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.127 -12.105 5.395 1.00 0.00 H new ATOM 0 HG LEU A 26 10.727 -12.626 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.719 -12.454 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.857 -10.959 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.108 -12.126 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.914 -14.659 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.303 -14.334 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.474 -14.736 4.249 1.00 0.00 H new ATOM 413 N GLU A 27 5.823 -11.882 3.623 1.00 0.00 N ATOM 414 CA GLU A 27 4.649 -11.090 3.142 1.00 0.00 C ATOM 415 C GLU A 27 4.228 -10.098 4.228 1.00 0.00 C ATOM 416 O GLU A 27 4.365 -10.362 5.407 1.00 0.00 O ATOM 417 CB GLU A 27 3.486 -12.037 2.837 1.00 0.00 C ATOM 418 CG GLU A 27 3.999 -13.235 2.035 1.00 0.00 C ATOM 419 CD GLU A 27 2.816 -14.097 1.592 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.819 -14.106 2.294 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.928 -14.734 0.557 1.00 0.00 O ATOM 0 H GLU A 27 5.756 -12.206 4.588 1.00 0.00 H new ATOM 0 HA GLU A 27 4.921 -10.546 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.027 -12.377 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.714 -11.512 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.558 -12.891 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.686 -13.825 2.642 1.00 0.00 H new ATOM 428 N MET A 28 3.718 -8.955 3.839 1.00 0.00 N ATOM 429 CA MET A 28 3.286 -7.934 4.842 1.00 0.00 C ATOM 430 C MET A 28 1.953 -7.326 4.404 1.00 0.00 C ATOM 431 O MET A 28 1.595 -7.373 3.246 1.00 0.00 O ATOM 432 CB MET A 28 4.343 -6.830 4.927 1.00 0.00 C ATOM 433 CG MET A 28 5.716 -7.455 5.186 1.00 0.00 C ATOM 434 SD MET A 28 6.876 -6.167 5.707 1.00 0.00 S ATOM 435 CE MET A 28 8.224 -7.266 6.208 1.00 0.00 C ATOM 0 H MET A 28 3.582 -8.685 2.865 1.00 0.00 H new ATOM 0 HA MET A 28 3.169 -8.406 5.818 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.362 -6.258 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.092 -6.133 5.727 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.639 -8.223 5.956 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.081 -7.945 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.062 -6.671 6.571 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.878 -7.928 7.002 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.545 -7.861 5.353 1.00 0.00 H new ATOM 445 N ILE A 29 1.223 -6.747 5.326 1.00 0.00 N ATOM 446 CA ILE A 29 -0.091 -6.112 4.986 1.00 0.00 C ATOM 447 C ILE A 29 -0.063 -4.671 5.486 1.00 0.00 C ATOM 448 O ILE A 29 0.446 -4.389 6.553 1.00 0.00 O ATOM 449 CB ILE A 29 -1.233 -6.882 5.669 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.424 -8.229 4.962 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.532 -6.069 5.580 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.411 -9.093 5.752 1.00 0.00 C ATOM 0 H ILE A 29 1.484 -6.686 6.310 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.255 -6.134 3.909 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.985 -7.047 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.795 -8.070 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.467 -8.743 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.339 -6.618 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.395 -5.109 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.785 -5.901 4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.544 -10.049 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.022 -9.265 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.371 -8.581 5.818 1.00 0.00 H new ATOM 464 N ALA A 30 -0.587 -3.748 4.724 1.00 0.00 N ATOM 465 CA ALA A 30 -0.562 -2.325 5.168 1.00 0.00 C ATOM 466 C ALA A 30 -1.791 -1.580 4.656 1.00 0.00 C ATOM 467 O ALA A 30 -2.172 -1.696 3.508 1.00 0.00 O ATOM 468 CB ALA A 30 0.700 -1.659 4.617 1.00 0.00 C ATOM 0 H ALA A 30 -1.028 -3.916 3.820 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.565 -2.291 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.730 -0.617 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.580 -2.179 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.690 -1.706 3.528 1.00 0.00 H new ATOM 474 N GLU A 31 -2.400 -0.792 5.501 1.00 0.00 N ATOM 475 CA GLU A 31 -3.589 -0.012 5.067 1.00 0.00 C ATOM 476 C GLU A 31 -3.094 1.197 4.268 1.00 0.00 C ATOM 477 O GLU A 31 -2.111 1.819 4.617 1.00 0.00 O ATOM 478 CB GLU A 31 -4.379 0.449 6.301 1.00 0.00 C ATOM 479 CG GLU A 31 -5.353 -0.651 6.740 1.00 0.00 C ATOM 480 CD GLU A 31 -5.881 -0.334 8.140 1.00 0.00 C ATOM 481 OE1 GLU A 31 -5.685 0.784 8.587 1.00 0.00 O ATOM 482 OE2 GLU A 31 -6.476 -1.214 8.740 1.00 0.00 O ATOM 0 H GLU A 31 -2.123 -0.656 6.473 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.246 -0.622 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.693 0.685 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.928 1.362 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.181 -0.721 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.851 -1.618 6.739 1.00 0.00 H new ATOM 489 N ILE A 32 -3.757 1.512 3.184 1.00 0.00 N ATOM 490 CA ILE A 32 -3.330 2.659 2.317 1.00 0.00 C ATOM 491 C ILE A 32 -4.440 3.717 2.282 1.00 0.00 C ATOM 492 O ILE A 32 -5.613 3.408 2.345 1.00 0.00 O ATOM 493 CB ILE A 32 -3.042 2.096 0.896 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.538 1.809 0.740 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.476 3.072 -0.209 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.054 0.882 1.864 1.00 0.00 C ATOM 0 H ILE A 32 -4.587 1.018 2.857 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.431 3.136 2.708 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.619 1.178 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.347 1.348 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.978 2.744 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.256 2.638 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.547 3.260 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.933 4.011 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.011 0.687 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.227 1.359 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.602 -0.059 1.821 1.00 0.00 H new ATOM 508 N GLU A 33 -4.061 4.968 2.168 1.00 0.00 N ATOM 509 CA GLU A 33 -5.064 6.077 2.109 1.00 0.00 C ATOM 510 C GLU A 33 -4.765 6.942 0.883 1.00 0.00 C ATOM 511 O GLU A 33 -3.836 7.724 0.877 1.00 0.00 O ATOM 512 CB GLU A 33 -4.956 6.932 3.374 1.00 0.00 C ATOM 513 CG GLU A 33 -6.162 7.869 3.463 1.00 0.00 C ATOM 514 CD GLU A 33 -6.131 8.618 4.797 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.141 9.280 5.058 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.097 8.515 5.533 1.00 0.00 O ATOM 0 H GLU A 33 -3.088 5.270 2.113 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.071 5.665 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.914 6.292 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.033 7.511 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.146 8.578 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.086 7.298 3.376 1.00 0.00 H new ATOM 523 N ALA A 34 -5.537 6.797 -0.164 1.00 0.00 N ATOM 524 CA ALA A 34 -5.291 7.600 -1.401 1.00 0.00 C ATOM 525 C ALA A 34 -6.626 7.989 -2.039 1.00 0.00 C ATOM 526 O ALA A 34 -7.654 8.014 -1.391 1.00 0.00 O ATOM 527 CB ALA A 34 -4.485 6.759 -2.394 1.00 0.00 C ATOM 0 H ALA A 34 -6.329 6.156 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.737 8.503 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.302 7.339 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.532 6.479 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.045 5.859 -2.647 1.00 0.00 H new ATOM 533 N CYS A 35 -6.614 8.295 -3.310 1.00 0.00 N ATOM 534 CA CYS A 35 -7.875 8.685 -4.008 1.00 0.00 C ATOM 535 C CYS A 35 -7.801 8.233 -5.467 1.00 0.00 C ATOM 536 O CYS A 35 -8.795 8.184 -6.164 1.00 0.00 O ATOM 537 CB CYS A 35 -8.040 10.204 -3.952 1.00 0.00 C ATOM 538 SG CYS A 35 -9.686 10.656 -4.556 1.00 0.00 S ATOM 0 H CYS A 35 -5.780 8.291 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.727 8.211 -3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.907 10.557 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.273 10.686 -4.559 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.046 9.831 -5.494 1.00 0.00 H new ATOM 544 N ARG A 36 -6.629 7.899 -5.934 1.00 0.00 N ATOM 545 CA ARG A 36 -6.490 7.445 -7.347 1.00 0.00 C ATOM 546 C ARG A 36 -7.000 6.009 -7.465 1.00 0.00 C ATOM 547 O ARG A 36 -7.535 5.609 -8.481 1.00 0.00 O ATOM 548 CB ARG A 36 -5.018 7.500 -7.760 1.00 0.00 C ATOM 549 CG ARG A 36 -4.486 8.922 -7.566 1.00 0.00 C ATOM 550 CD ARG A 36 -3.017 8.980 -7.990 1.00 0.00 C ATOM 551 NE ARG A 36 -2.487 10.353 -7.756 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.163 10.730 -6.550 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.304 9.906 -5.548 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.698 11.933 -6.345 1.00 0.00 N ATOM 0 H ARG A 36 -5.761 7.921 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.072 8.096 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.435 6.798 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.910 7.199 -8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.074 9.625 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.586 9.220 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.435 8.253 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.921 8.716 -9.043 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.378 10.998 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.668 8.967 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.050 10.201 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.588 12.578 -7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.445 12.228 -5.402 1.00 0.00 H new ATOM 568 N LEU A 37 -6.848 5.230 -6.428 1.00 0.00 N ATOM 569 CA LEU A 37 -7.331 3.823 -6.467 1.00 0.00 C ATOM 570 C LEU A 37 -6.893 3.161 -7.777 1.00 0.00 C ATOM 571 O LEU A 37 -7.443 2.161 -8.195 1.00 0.00 O ATOM 572 CB LEU A 37 -8.856 3.823 -6.359 1.00 0.00 C ATOM 573 CG LEU A 37 -9.299 4.900 -5.363 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.806 4.794 -5.128 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.562 4.704 -4.033 1.00 0.00 C ATOM 0 H LEU A 37 -6.408 5.511 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.907 3.260 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.300 4.012 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.208 2.844 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.063 5.884 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.119 5.561 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.332 4.936 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.043 3.809 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.878 5.471 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.796 3.719 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.487 4.783 -4.197 1.00 0.00 H new ATOM 587 N ARG A 38 -5.903 3.712 -8.427 1.00 0.00 N ATOM 588 CA ARG A 38 -5.419 3.124 -9.711 1.00 0.00 C ATOM 589 C ARG A 38 -4.296 2.124 -9.417 1.00 0.00 C ATOM 590 O ARG A 38 -3.468 1.835 -10.259 1.00 0.00 O ATOM 591 CB ARG A 38 -4.884 4.249 -10.605 1.00 0.00 C ATOM 592 CG ARG A 38 -4.828 3.781 -12.072 1.00 0.00 C ATOM 593 CD ARG A 38 -3.764 4.579 -12.829 1.00 0.00 C ATOM 594 NE ARG A 38 -4.002 4.462 -14.295 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.601 3.400 -14.940 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.991 2.440 -14.301 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.814 3.297 -16.224 1.00 0.00 N ATOM 0 H ARG A 38 -5.406 4.549 -8.122 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.237 2.611 -10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.524 5.127 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.890 4.546 -10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.597 2.717 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.801 3.916 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.797 5.626 -12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.770 4.207 -12.581 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.479 5.212 -14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.827 2.519 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.678 1.610 -14.805 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.294 4.046 -16.723 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.501 2.467 -16.728 1.00 0.00 H new ATOM 611 N LEU A 39 -4.261 1.598 -8.227 1.00 0.00 N ATOM 612 CA LEU A 39 -3.194 0.621 -7.874 1.00 0.00 C ATOM 613 C LEU A 39 -3.346 -0.628 -8.743 1.00 0.00 C ATOM 614 O LEU A 39 -4.357 -0.829 -9.387 1.00 0.00 O ATOM 615 CB LEU A 39 -3.321 0.239 -6.393 1.00 0.00 C ATOM 616 CG LEU A 39 -2.729 1.348 -5.519 1.00 0.00 C ATOM 617 CD1 LEU A 39 -3.372 2.690 -5.878 1.00 0.00 C ATOM 618 CD2 LEU A 39 -3.000 1.031 -4.045 1.00 0.00 C ATOM 0 H LEU A 39 -4.926 1.802 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.215 1.067 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.369 0.082 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.802 -0.701 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.654 1.408 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.947 3.476 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.180 2.917 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.448 2.635 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.580 1.819 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.075 0.970 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.538 0.078 -3.787 1.00 0.00 H new ATOM 630 N ARG A 40 -2.349 -1.469 -8.767 1.00 0.00 N ATOM 631 CA ARG A 40 -2.435 -2.703 -9.597 1.00 0.00 C ATOM 632 C ARG A 40 -1.450 -3.744 -9.055 1.00 0.00 C ATOM 633 O ARG A 40 -0.598 -3.441 -8.245 1.00 0.00 O ATOM 634 CB ARG A 40 -2.083 -2.362 -11.050 1.00 0.00 C ATOM 635 CG ARG A 40 -2.581 -3.470 -11.982 1.00 0.00 C ATOM 636 CD ARG A 40 -2.346 -3.057 -13.436 1.00 0.00 C ATOM 637 NE ARG A 40 -0.907 -2.722 -13.631 1.00 0.00 N ATOM 638 CZ ARG A 40 -0.468 -2.393 -14.814 1.00 0.00 C ATOM 639 NH1 ARG A 40 -1.289 -2.358 -15.828 1.00 0.00 N ATOM 640 NH2 ARG A 40 0.793 -2.100 -14.984 1.00 0.00 N ATOM 0 H ARG A 40 -1.479 -1.355 -8.248 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.447 -3.107 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.535 -1.410 -11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.004 -2.245 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.058 -4.402 -11.768 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.642 -3.654 -11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.636 -3.866 -14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.968 -2.197 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.265 -2.750 -12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.274 -2.588 -15.695 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.946 -2.101 -16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.435 -2.129 -14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.137 -1.843 -15.909 1.00 0.00 H new ATOM 654 N GLU A 41 -1.558 -4.966 -9.498 1.00 0.00 N ATOM 655 CA GLU A 41 -0.626 -6.023 -9.008 1.00 0.00 C ATOM 656 C GLU A 41 0.684 -5.950 -9.795 1.00 0.00 C ATOM 657 O GLU A 41 0.723 -5.477 -10.914 1.00 0.00 O ATOM 658 CB GLU A 41 -1.264 -7.399 -9.211 1.00 0.00 C ATOM 659 CG GLU A 41 -2.577 -7.475 -8.427 1.00 0.00 C ATOM 660 CD GLU A 41 -3.636 -6.612 -9.116 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.513 -6.399 -10.311 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.554 -6.181 -8.438 1.00 0.00 O ATOM 0 H GLU A 41 -2.251 -5.279 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.425 -5.868 -7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.451 -7.572 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.582 -8.181 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.918 -8.509 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.422 -7.131 -7.404 1.00 0.00 H new ATOM 669 N GLY A 42 1.759 -6.417 -9.220 1.00 0.00 N ATOM 670 CA GLY A 42 3.066 -6.377 -9.935 1.00 0.00 C ATOM 671 C GLY A 42 3.629 -4.954 -9.910 1.00 0.00 C ATOM 672 O GLY A 42 4.540 -4.626 -10.644 1.00 0.00 O ATOM 0 H GLY A 42 1.788 -6.825 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.769 -7.064 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.937 -6.709 -10.965 1.00 0.00 H new ATOM 676 N ASP A 43 3.098 -4.103 -9.072 1.00 0.00 N ATOM 677 CA ASP A 43 3.612 -2.705 -9.007 1.00 0.00 C ATOM 678 C ASP A 43 4.880 -2.667 -8.154 1.00 0.00 C ATOM 679 O ASP A 43 5.002 -3.371 -7.168 1.00 0.00 O ATOM 680 CB ASP A 43 2.551 -1.792 -8.386 1.00 0.00 C ATOM 681 CG ASP A 43 1.264 -1.872 -9.207 1.00 0.00 C ATOM 682 OD1 ASP A 43 1.144 -2.793 -9.998 1.00 0.00 O ATOM 683 OD2 ASP A 43 0.418 -1.010 -9.032 1.00 0.00 O ATOM 0 H ASP A 43 2.333 -4.315 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 43 3.840 -2.358 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.357 -2.091 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.913 -0.764 -8.357 1.00 0.00 H new ATOM 688 N LYS A 44 5.829 -1.847 -8.528 1.00 0.00 N ATOM 689 CA LYS A 44 7.100 -1.751 -7.747 1.00 0.00 C ATOM 690 C LYS A 44 7.000 -0.597 -6.748 1.00 0.00 C ATOM 691 O LYS A 44 6.962 0.559 -7.120 1.00 0.00 O ATOM 692 CB LYS A 44 8.264 -1.490 -8.706 1.00 0.00 C ATOM 693 CG LYS A 44 8.256 -2.540 -9.818 1.00 0.00 C ATOM 694 CD LYS A 44 9.370 -2.231 -10.821 1.00 0.00 C ATOM 695 CE LYS A 44 9.287 -3.209 -11.995 1.00 0.00 C ATOM 696 NZ LYS A 44 10.416 -2.954 -12.934 1.00 0.00 N ATOM 0 H LYS A 44 5.778 -1.237 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 44 7.268 -2.684 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.179 -0.491 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.210 -1.526 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.399 -3.534 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.289 -2.544 -10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.276 -1.206 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.343 -2.311 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.328 -4.236 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.335 -3.092 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.360 -3.618 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.358 -1.979 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.319 -3.087 -12.435 1.00 0.00 H new ATOM 710 N LEU A 45 6.957 -0.904 -5.478 1.00 0.00 N ATOM 711 CA LEU A 45 6.862 0.167 -4.439 1.00 0.00 C ATOM 712 C LEU A 45 8.273 0.526 -3.967 1.00 0.00 C ATOM 713 O LEU A 45 9.121 -0.331 -3.824 1.00 0.00 O ATOM 714 CB LEU A 45 6.049 -0.348 -3.242 1.00 0.00 C ATOM 715 CG LEU A 45 4.542 -0.368 -3.562 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.970 1.060 -3.587 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.305 -1.037 -4.920 1.00 0.00 C ATOM 0 H LEU A 45 6.984 -1.856 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 45 6.372 1.045 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.381 -1.352 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.231 0.287 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 45 4.035 -0.935 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.905 1.021 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.116 1.528 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.483 1.644 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.237 -1.047 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.829 -0.480 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.679 -2.060 -4.892 1.00 0.00 H new ATOM 729 N THR A 46 8.530 1.787 -3.723 1.00 0.00 N ATOM 730 CA THR A 46 9.889 2.210 -3.254 1.00 0.00 C ATOM 731 C THR A 46 9.727 3.279 -2.158 1.00 0.00 C ATOM 732 O THR A 46 8.817 4.080 -2.211 1.00 0.00 O ATOM 733 CB THR A 46 10.666 2.805 -4.433 1.00 0.00 C ATOM 734 OG1 THR A 46 11.912 3.307 -3.973 1.00 0.00 O ATOM 735 CG2 THR A 46 9.856 3.941 -5.059 1.00 0.00 C ATOM 0 H THR A 46 7.856 2.545 -3.828 1.00 0.00 H new ATOM 0 HA THR A 46 10.431 1.352 -2.857 1.00 0.00 H new ATOM 0 HB THR A 46 10.840 2.031 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.410 3.686 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.410 4.363 -5.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.900 3.554 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.680 4.716 -4.313 1.00 0.00 H new ATOM 743 N PRO A 47 10.597 3.302 -1.168 1.00 0.00 N ATOM 744 CA PRO A 47 10.516 4.304 -0.062 1.00 0.00 C ATOM 745 C PRO A 47 10.949 5.702 -0.520 1.00 0.00 C ATOM 746 O PRO A 47 12.001 5.876 -1.102 1.00 0.00 O ATOM 747 CB PRO A 47 11.484 3.748 0.993 1.00 0.00 C ATOM 748 CG PRO A 47 12.500 2.988 0.206 1.00 0.00 C ATOM 749 CD PRO A 47 11.745 2.389 -0.985 1.00 0.00 C ATOM 0 HA PRO A 47 9.499 4.431 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.947 4.550 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.968 3.102 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.304 3.643 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.958 2.206 0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.371 2.349 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.417 1.370 -0.780 1.00 0.00 H new ATOM 757 N LEU A 48 10.147 6.699 -0.259 1.00 0.00 N ATOM 758 CA LEU A 48 10.515 8.082 -0.678 1.00 0.00 C ATOM 759 C LEU A 48 11.475 8.682 0.354 1.00 0.00 C ATOM 760 O LEU A 48 12.561 9.116 0.025 1.00 0.00 O ATOM 761 CB LEU A 48 9.245 8.939 -0.770 1.00 0.00 C ATOM 762 CG LEU A 48 9.608 10.420 -0.966 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.610 10.569 -2.117 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.337 11.212 -1.292 1.00 0.00 C ATOM 0 H LEU A 48 9.254 6.616 0.226 1.00 0.00 H new ATOM 0 HA LEU A 48 11.002 8.057 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.628 8.597 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.653 8.821 0.137 1.00 0.00 H new ATOM 0 HG LEU A 48 10.059 10.803 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.860 11.622 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.515 10.007 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.168 10.185 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.589 12.263 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.889 10.821 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.627 11.115 -0.470 1.00 0.00 H new ATOM 776 N ALA A 49 11.084 8.710 1.600 1.00 0.00 N ATOM 777 CA ALA A 49 11.979 9.283 2.644 1.00 0.00 C ATOM 778 C ALA A 49 11.430 8.958 4.036 1.00 0.00 C ATOM 779 O ALA A 49 11.803 7.978 4.648 1.00 0.00 O ATOM 780 CB ALA A 49 12.058 10.801 2.470 1.00 0.00 C ATOM 0 H ALA A 49 10.187 8.362 1.938 1.00 0.00 H new ATOM 0 HA ALA A 49 12.974 8.850 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.713 11.221 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.456 11.034 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.061 11.231 2.570 1.00 0.00 H new ATOM 786 N ASP A 50 10.550 9.779 4.544 1.00 0.00 N ATOM 787 CA ASP A 50 9.984 9.524 5.898 1.00 0.00 C ATOM 788 C ASP A 50 9.149 8.241 5.883 1.00 0.00 C ATOM 789 O ASP A 50 9.269 7.403 6.754 1.00 0.00 O ATOM 790 CB ASP A 50 9.098 10.701 6.310 1.00 0.00 C ATOM 791 CG ASP A 50 9.959 11.956 6.474 1.00 0.00 C ATOM 792 OD1 ASP A 50 11.051 11.835 7.003 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.510 13.015 6.068 1.00 0.00 O ATOM 0 H ASP A 50 10.199 10.616 4.078 1.00 0.00 H new ATOM 0 HA ASP A 50 10.801 9.412 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.328 10.871 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.585 10.474 7.245 1.00 0.00 H new ATOM 798 N ALA A 51 8.303 8.080 4.902 1.00 0.00 N ATOM 799 CA ALA A 51 7.463 6.849 4.841 1.00 0.00 C ATOM 800 C ALA A 51 6.700 6.807 3.515 1.00 0.00 C ATOM 801 O ALA A 51 6.393 5.751 3.001 1.00 0.00 O ATOM 802 CB ALA A 51 6.465 6.852 6.001 1.00 0.00 C ATOM 0 H ALA A 51 8.157 8.745 4.142 1.00 0.00 H new ATOM 0 HA ALA A 51 8.107 5.973 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.852 5.952 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.006 6.875 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.825 7.731 5.928 1.00 0.00 H new ATOM 808 N ARG A 52 6.388 7.946 2.958 1.00 0.00 N ATOM 809 CA ARG A 52 5.642 7.964 1.668 1.00 0.00 C ATOM 810 C ARG A 52 6.290 6.984 0.688 1.00 0.00 C ATOM 811 O ARG A 52 7.492 6.807 0.681 1.00 0.00 O ATOM 812 CB ARG A 52 5.679 9.375 1.079 1.00 0.00 C ATOM 813 CG ARG A 52 4.860 10.320 1.959 1.00 0.00 C ATOM 814 CD ARG A 52 4.680 11.658 1.242 1.00 0.00 C ATOM 815 NE ARG A 52 5.999 12.345 1.134 1.00 0.00 N ATOM 816 CZ ARG A 52 6.091 13.487 0.510 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.029 14.028 -0.023 1.00 0.00 N ATOM 818 NH2 ARG A 52 7.245 14.089 0.417 1.00 0.00 N ATOM 0 H ARG A 52 6.617 8.863 3.340 1.00 0.00 H new ATOM 0 HA ARG A 52 4.607 7.669 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.709 9.725 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.279 9.367 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.887 9.879 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.363 10.472 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.259 11.497 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.975 12.284 1.789 1.00 0.00 H new ATOM 0 HE ARG A 52 6.830 11.922 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.127 13.558 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.102 14.921 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.075 13.667 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.317 14.982 -0.071 1.00 0.00 H new ATOM 832 N TYR A 53 5.497 6.344 -0.138 1.00 0.00 N ATOM 833 CA TYR A 53 6.046 5.363 -1.129 1.00 0.00 C ATOM 834 C TYR A 53 5.643 5.789 -2.543 1.00 0.00 C ATOM 835 O TYR A 53 4.843 6.687 -2.729 1.00 0.00 O ATOM 836 CB TYR A 53 5.471 3.971 -0.836 1.00 0.00 C ATOM 837 CG TYR A 53 6.185 3.363 0.349 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.725 3.613 1.647 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.306 2.549 0.149 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.386 3.049 2.745 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.967 1.985 1.247 1.00 0.00 C ATOM 842 CZ TYR A 53 7.506 2.235 2.544 1.00 0.00 C ATOM 843 OH TYR A 53 8.158 1.678 3.627 1.00 0.00 O ATOM 0 H TYR A 53 4.484 6.460 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 53 7.133 5.335 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.403 4.044 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.584 3.329 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.860 4.241 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.661 2.356 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.031 3.242 3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.832 1.357 1.093 1.00 0.00 H new ATOM 0 HH TYR A 53 8.914 1.140 3.312 1.00 0.00 H new ATOM 853 N CYS A 54 6.197 5.145 -3.540 1.00 0.00 N ATOM 854 CA CYS A 54 5.865 5.494 -4.956 1.00 0.00 C ATOM 855 C CYS A 54 5.668 4.206 -5.756 1.00 0.00 C ATOM 856 O CYS A 54 6.529 3.349 -5.791 1.00 0.00 O ATOM 857 CB CYS A 54 7.022 6.290 -5.563 1.00 0.00 C ATOM 858 SG CYS A 54 6.724 6.536 -7.329 1.00 0.00 S ATOM 0 H CYS A 54 6.870 4.386 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 54 4.953 6.090 -4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.117 7.253 -5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.962 5.758 -5.413 1.00 0.00 H new ATOM 0 HG CYS A 54 7.793 7.023 -7.886 1.00 0.00 H new ATOM 864 N LEU A 55 4.540 4.057 -6.401 1.00 0.00 N ATOM 865 CA LEU A 55 4.290 2.816 -7.199 1.00 0.00 C ATOM 866 C LEU A 55 4.695 3.051 -8.657 1.00 0.00 C ATOM 867 O LEU A 55 4.588 4.145 -9.173 1.00 0.00 O ATOM 868 CB LEU A 55 2.797 2.449 -7.126 1.00 0.00 C ATOM 869 CG LEU A 55 1.915 3.646 -7.576 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.492 3.489 -9.042 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.652 3.726 -6.706 1.00 0.00 C ATOM 0 H LEU A 55 3.781 4.739 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 55 4.882 1.997 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.598 1.585 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.537 2.162 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 55 2.504 4.557 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.875 4.338 -9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.379 3.449 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.921 2.568 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.040 4.568 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.081 2.803 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.937 3.864 -5.663 1.00 0.00 H new ATOM 883 N ASN A 56 5.165 2.025 -9.319 1.00 0.00 N ATOM 884 CA ASN A 56 5.585 2.165 -10.746 1.00 0.00 C ATOM 885 C ASN A 56 6.701 3.207 -10.863 1.00 0.00 C ATOM 886 O ASN A 56 6.962 3.733 -11.925 1.00 0.00 O ATOM 887 CB ASN A 56 4.388 2.589 -11.603 1.00 0.00 C ATOM 888 CG ASN A 56 3.190 1.691 -11.289 1.00 0.00 C ATOM 889 OD1 ASN A 56 2.056 2.080 -11.488 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.395 0.498 -10.803 1.00 0.00 N ATOM 0 H ASN A 56 5.277 1.089 -8.929 1.00 0.00 H new ATOM 0 HA ASN A 56 5.956 1.204 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.136 3.631 -11.405 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.642 2.518 -12.661 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.603 -0.109 -10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.347 0.172 -10.636 1.00 0.00 H new ATOM 897 N ASN A 57 7.369 3.495 -9.780 1.00 0.00 N ATOM 898 CA ASN A 57 8.480 4.490 -9.825 1.00 0.00 C ATOM 899 C ASN A 57 7.992 5.808 -10.434 1.00 0.00 C ATOM 900 O ASN A 57 8.682 6.428 -11.220 1.00 0.00 O ATOM 901 CB ASN A 57 9.628 3.933 -10.670 1.00 0.00 C ATOM 902 CG ASN A 57 10.812 4.900 -10.625 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.251 5.292 -9.562 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.350 5.307 -11.743 1.00 0.00 N ATOM 0 H ASN A 57 7.194 3.084 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 57 8.826 4.678 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.929 2.955 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.300 3.791 -11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.139 5.954 -11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.982 4.978 -12.636 1.00 0.00 H new ATOM 911 N ASN A 58 6.812 6.246 -10.070 1.00 0.00 N ATOM 912 CA ASN A 58 6.263 7.531 -10.609 1.00 0.00 C ATOM 913 C ASN A 58 5.832 8.415 -9.426 1.00 0.00 C ATOM 914 O ASN A 58 4.718 8.309 -8.953 1.00 0.00 O ATOM 915 CB ASN A 58 5.046 7.230 -11.486 1.00 0.00 C ATOM 916 CG ASN A 58 5.393 6.114 -12.474 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.548 5.897 -12.782 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.434 5.395 -12.989 1.00 0.00 N ATOM 0 H ASN A 58 6.198 5.763 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 58 7.020 8.044 -11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.202 6.931 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.743 8.127 -12.026 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.654 4.650 -13.650 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.464 5.577 -12.730 1.00 0.00 H new ATOM 925 N PRO A 59 6.706 9.268 -8.932 1.00 0.00 N ATOM 926 CA PRO A 59 6.392 10.156 -7.771 1.00 0.00 C ATOM 927 C PRO A 59 5.014 10.819 -7.884 1.00 0.00 C ATOM 928 O PRO A 59 4.527 11.422 -6.949 1.00 0.00 O ATOM 929 CB PRO A 59 7.511 11.200 -7.811 1.00 0.00 C ATOM 930 CG PRO A 59 8.675 10.474 -8.401 1.00 0.00 C ATOM 931 CD PRO A 59 8.084 9.488 -9.416 1.00 0.00 C ATOM 0 HA PRO A 59 6.347 9.600 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.230 12.061 -8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.741 11.575 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.363 11.167 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.240 9.950 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.093 9.900 -10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.651 8.557 -9.446 1.00 0.00 H new ATOM 939 N THR A 60 4.379 10.704 -9.016 1.00 0.00 N ATOM 940 CA THR A 60 3.030 11.318 -9.176 1.00 0.00 C ATOM 941 C THR A 60 1.998 10.426 -8.482 1.00 0.00 C ATOM 942 O THR A 60 1.098 10.898 -7.814 1.00 0.00 O ATOM 943 CB THR A 60 2.693 11.429 -10.666 1.00 0.00 C ATOM 944 OG1 THR A 60 1.282 11.396 -10.835 1.00 0.00 O ATOM 945 CG2 THR A 60 3.326 10.259 -11.424 1.00 0.00 C ATOM 0 H THR A 60 4.734 10.213 -9.836 1.00 0.00 H new ATOM 0 HA THR A 60 3.019 12.313 -8.731 1.00 0.00 H new ATOM 0 HB THR A 60 3.085 12.368 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.065 11.468 -11.788 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.085 10.339 -12.484 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.408 10.284 -11.295 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.936 9.319 -11.034 1.00 0.00 H new ATOM 953 N GLN A 61 2.131 9.133 -8.630 1.00 0.00 N ATOM 954 CA GLN A 61 1.173 8.188 -7.980 1.00 0.00 C ATOM 955 C GLN A 61 1.741 7.743 -6.632 1.00 0.00 C ATOM 956 O GLN A 61 2.017 6.580 -6.424 1.00 0.00 O ATOM 957 CB GLN A 61 0.975 6.955 -8.869 1.00 0.00 C ATOM 958 CG GLN A 61 0.726 7.386 -10.318 1.00 0.00 C ATOM 959 CD GLN A 61 0.029 6.257 -11.084 1.00 0.00 C ATOM 960 OE1 GLN A 61 0.539 5.775 -12.076 1.00 0.00 O ATOM 961 NE2 GLN A 61 -1.124 5.814 -10.662 1.00 0.00 N ATOM 0 H GLN A 61 2.868 8.688 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 61 0.216 8.690 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.856 6.315 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.132 6.367 -8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.111 8.285 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.671 7.635 -10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.552 6.219 -9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.597 5.063 -11.165 1.00 0.00 H new ATOM 970 N THR A 62 1.927 8.653 -5.714 1.00 0.00 N ATOM 971 CA THR A 62 2.491 8.266 -4.383 1.00 0.00 C ATOM 972 C THR A 62 1.349 8.060 -3.393 1.00 0.00 C ATOM 973 O THR A 62 0.206 8.355 -3.680 1.00 0.00 O ATOM 974 CB THR A 62 3.403 9.385 -3.875 1.00 0.00 C ATOM 975 OG1 THR A 62 2.707 10.622 -3.932 1.00 0.00 O ATOM 976 CG2 THR A 62 4.658 9.463 -4.744 1.00 0.00 C ATOM 0 H THR A 62 1.715 9.644 -5.825 1.00 0.00 H new ATOM 0 HA THR A 62 3.063 7.343 -4.482 1.00 0.00 H new ATOM 0 HB THR A 62 3.693 9.176 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.289 11.340 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.304 10.261 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.192 8.514 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.374 9.670 -5.776 1.00 0.00 H new ATOM 984 N LEU A 63 1.643 7.542 -2.232 1.00 0.00 N ATOM 985 CA LEU A 63 0.562 7.301 -1.234 1.00 0.00 C ATOM 986 C LEU A 63 1.146 7.256 0.179 1.00 0.00 C ATOM 987 O LEU A 63 2.313 6.981 0.373 1.00 0.00 O ATOM 988 CB LEU A 63 -0.139 5.972 -1.560 1.00 0.00 C ATOM 989 CG LEU A 63 0.770 4.771 -1.249 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.068 3.486 -1.700 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.105 4.909 -1.996 1.00 0.00 C ATOM 0 H LEU A 63 2.581 7.276 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.162 8.115 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.060 5.893 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.420 5.955 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 63 0.966 4.736 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.705 2.628 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.876 3.381 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.125 3.534 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.740 4.053 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.919 4.947 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.605 5.825 -1.682 1.00 0.00 H new ATOM 1003 N LYS A 64 0.335 7.529 1.170 1.00 0.00 N ATOM 1004 CA LYS A 64 0.821 7.507 2.584 1.00 0.00 C ATOM 1005 C LYS A 64 0.364 6.214 3.260 1.00 0.00 C ATOM 1006 O LYS A 64 -0.744 5.758 3.061 1.00 0.00 O ATOM 1007 CB LYS A 64 0.240 8.704 3.341 1.00 0.00 C ATOM 1008 CG LYS A 64 0.532 9.993 2.567 1.00 0.00 C ATOM 1009 CD LYS A 64 0.324 11.200 3.485 1.00 0.00 C ATOM 1010 CE LYS A 64 0.546 12.489 2.693 1.00 0.00 C ATOM 1011 NZ LYS A 64 0.422 13.661 3.605 1.00 0.00 N ATOM 0 H LYS A 64 -0.650 7.768 1.059 1.00 0.00 H new ATOM 0 HA LYS A 64 1.910 7.560 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.835 8.580 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.674 8.761 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.555 9.980 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.124 10.065 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.684 11.185 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.016 11.154 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.533 12.478 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.184 12.563 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.573 14.538 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.528 13.673 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.135 13.591 4.359 1.00 0.00 H new ATOM 1025 N ILE A 65 1.209 5.620 4.059 1.00 0.00 N ATOM 1026 CA ILE A 65 0.820 4.356 4.748 1.00 0.00 C ATOM 1027 C ILE A 65 0.085 4.687 6.045 1.00 0.00 C ATOM 1028 O ILE A 65 0.417 5.629 6.738 1.00 0.00 O ATOM 1029 CB ILE A 65 2.071 3.535 5.074 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.133 4.438 5.714 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.628 2.927 3.786 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.192 3.570 6.400 1.00 0.00 C ATOM 0 H ILE A 65 2.150 5.955 4.264 1.00 0.00 H new ATOM 0 HA ILE A 65 0.168 3.779 4.092 1.00 0.00 H new ATOM 0 HB ILE A 65 1.809 2.740 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.598 5.066 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.669 5.106 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.519 2.342 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.876 2.281 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.887 3.724 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.948 4.210 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.720 2.961 7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.663 2.920 5.663 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.911 3.913 6.385 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.672 4.166 7.644 1.00 0.00 C ATOM 1046 C ARG A 66 -1.150 3.225 8.732 1.00 0.00 C ATOM 1047 O ARG A 66 -1.080 3.583 9.891 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.162 3.904 7.399 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.922 3.949 8.727 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.426 4.007 8.454 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.156 4.201 9.739 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.458 4.294 9.742 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.121 4.217 8.620 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.098 4.462 10.867 1.00 0.00 N ATOM 0 H ARG A 66 -1.232 3.112 5.842 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.541 5.201 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.564 4.651 6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.297 2.932 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.684 3.069 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.613 4.820 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.651 4.824 7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.755 3.086 7.972 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.638 4.261 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.622 4.084 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.138 4.290 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.581 4.521 11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.115 4.535 10.869 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.776 2.026 8.366 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.254 1.066 9.382 1.00 0.00 C ATOM 1070 C ASN A 67 0.258 -0.204 8.692 1.00 0.00 C ATOM 1071 O ASN A 67 -0.514 -1.038 8.257 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.377 0.693 10.356 1.00 0.00 C ATOM 1073 CG ASN A 67 -0.883 -0.387 11.320 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.738 -1.232 11.827 1.00 0.00 O flip ATOM 1075 ND2 ASN A 67 0.293 -0.464 11.614 1.00 0.00 N flip ATOM 0 H ASN A 67 -0.810 1.672 7.410 1.00 0.00 H new ATOM 0 HA ASN A 67 0.566 1.535 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.696 1.574 10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.246 0.333 9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.962 0.196 11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.612 -1.189 12.257 1.00 0.00 H new ATOM 1082 N ALA A 68 1.553 -0.364 8.598 1.00 0.00 N ATOM 1083 CA ALA A 68 2.109 -1.589 7.953 1.00 0.00 C ATOM 1084 C ALA A 68 2.049 -2.752 8.945 1.00 0.00 C ATOM 1085 O ALA A 68 2.040 -2.557 10.144 1.00 0.00 O ATOM 1086 CB ALA A 68 3.564 -1.348 7.548 1.00 0.00 C ATOM 0 H ALA A 68 2.248 0.300 8.940 1.00 0.00 H new ATOM 0 HA ALA A 68 1.522 -1.827 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.964 -2.246 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.613 -0.517 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.153 -1.109 8.433 1.00 0.00 H new ATOM 1092 N THR A 69 2.008 -3.966 8.457 1.00 0.00 N ATOM 1093 CA THR A 69 1.951 -5.144 9.376 1.00 0.00 C ATOM 1094 C THR A 69 2.700 -6.319 8.744 1.00 0.00 C ATOM 1095 O THR A 69 2.643 -6.534 7.550 1.00 0.00 O ATOM 1096 CB THR A 69 0.491 -5.539 9.612 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.233 -4.409 10.081 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.424 -6.659 10.651 1.00 0.00 C ATOM 0 H THR A 69 2.012 -4.193 7.462 1.00 0.00 H new ATOM 0 HA THR A 69 2.415 -4.885 10.328 1.00 0.00 H new ATOM 0 HB THR A 69 0.053 -5.889 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.167 -4.475 9.790 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.616 -6.939 10.818 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.979 -7.524 10.289 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.861 -6.313 11.588 1.00 0.00 H new ATOM 1106 N HIS A 70 3.404 -7.079 9.537 1.00 0.00 N ATOM 1107 CA HIS A 70 4.161 -8.237 8.983 1.00 0.00 C ATOM 1108 C HIS A 70 3.189 -9.359 8.613 1.00 0.00 C ATOM 1109 O HIS A 70 3.379 -10.503 8.978 1.00 0.00 O ATOM 1110 CB HIS A 70 5.150 -8.747 10.033 1.00 0.00 C ATOM 1111 CG HIS A 70 6.038 -7.617 10.478 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.893 -6.326 9.988 1.00 0.00 N ATOM 1113 CD2 HIS A 70 7.083 -7.567 11.367 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.829 -5.561 10.579 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.579 -6.269 11.426 1.00 0.00 N ATOM 0 H HIS A 70 3.488 -6.948 10.545 1.00 0.00 H new ATOM 0 HA HIS A 70 4.703 -7.921 8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.611 -9.157 10.887 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.752 -9.555 9.618 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.461 -8.406 11.933 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.957 -4.505 10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.353 -5.930 11.997 1.00 0.00 H new ATOM 1124 N TYR A 71 2.150 -9.045 7.888 1.00 0.00 N ATOM 1125 CA TYR A 71 1.172 -10.096 7.495 1.00 0.00 C ATOM 1126 C TYR A 71 0.732 -10.869 8.741 1.00 0.00 C ATOM 1127 O TYR A 71 0.933 -12.062 8.850 1.00 0.00 O ATOM 1128 CB TYR A 71 1.828 -11.052 6.489 1.00 0.00 C ATOM 1129 CG TYR A 71 0.915 -12.231 6.228 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.275 -12.048 5.514 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.260 -13.507 6.695 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.120 -13.137 5.269 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.415 -14.595 6.451 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.775 -14.410 5.738 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.609 -15.484 5.496 1.00 0.00 O ATOM 0 H TYR A 71 1.937 -8.106 7.551 1.00 0.00 H new ATOM 0 HA TYR A 71 0.300 -9.634 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.034 -10.527 5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.785 -11.401 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.541 -11.066 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.179 -13.650 7.244 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.038 -12.995 4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.681 -15.577 6.813 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.221 -16.294 5.888 1.00 0.00 H new ATOM 1145 N SER A 72 0.132 -10.195 9.685 1.00 0.00 N ATOM 1146 CA SER A 72 -0.321 -10.886 10.925 1.00 0.00 C ATOM 1147 C SER A 72 -1.680 -11.542 10.673 1.00 0.00 C ATOM 1148 O SER A 72 -2.448 -11.100 9.842 1.00 0.00 O ATOM 1149 CB SER A 72 -0.452 -9.866 12.057 1.00 0.00 C ATOM 1150 OG SER A 72 -0.569 -10.551 13.296 1.00 0.00 O ATOM 0 H SER A 72 -0.064 -9.195 9.650 1.00 0.00 H new ATOM 0 HA SER A 72 0.407 -11.648 11.204 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.418 -9.209 12.072 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.325 -9.235 11.894 1.00 0.00 H new ATOM 0 HG SER A 72 -0.651 -9.900 14.023 1.00 0.00 H new ATOM 1156 N SER A 73 -1.983 -12.593 11.384 1.00 0.00 N ATOM 1157 CA SER A 73 -3.292 -13.273 11.181 1.00 0.00 C ATOM 1158 C SER A 73 -4.421 -12.351 11.645 1.00 0.00 C ATOM 1159 O SER A 73 -5.456 -12.254 11.015 1.00 0.00 O ATOM 1160 CB SER A 73 -3.325 -14.568 11.993 1.00 0.00 C ATOM 1161 OG SER A 73 -4.613 -15.161 11.882 1.00 0.00 O ATOM 0 H SER A 73 -1.382 -13.009 12.095 1.00 0.00 H new ATOM 0 HA SER A 73 -3.422 -13.504 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.562 -15.257 11.630 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.096 -14.361 13.038 1.00 0.00 H new ATOM 0 HG SER A 73 -4.636 -15.992 12.401 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.232 -11.671 12.743 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.295 -10.757 13.247 1.00 0.00 C ATOM 1169 C GLU A 74 -5.566 -9.665 12.208 1.00 0.00 C ATOM 1170 O GLU A 74 -6.671 -9.175 12.085 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.833 -10.111 14.554 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.882 -11.143 15.681 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.280 -10.541 16.953 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.293 -9.833 16.839 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.817 -10.797 18.017 1.00 0.00 O ATOM 0 H GLU A 74 -3.387 -11.709 13.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.208 -11.325 13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.819 -9.727 14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.471 -9.261 14.797 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.912 -11.449 15.863 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.330 -12.038 15.393 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.568 -9.279 11.463 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.771 -8.217 10.439 1.00 0.00 C ATOM 1184 C ARG A 75 -5.442 -8.817 9.201 1.00 0.00 C ATOM 1185 O ARG A 75 -6.376 -8.260 8.659 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.413 -7.623 10.042 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.613 -6.311 9.259 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.757 -5.129 10.226 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.822 -3.860 9.450 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.827 -2.714 10.074 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.777 -2.681 11.378 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.882 -1.600 9.395 1.00 0.00 N ATOM 0 H ARG A 75 -3.621 -9.653 11.519 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.406 -7.434 10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.816 -7.435 10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.860 -8.338 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.766 -6.144 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.501 -6.386 8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.657 -5.246 10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.913 -5.104 10.915 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.863 -3.886 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.734 -3.551 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.781 -1.785 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.921 -1.625 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.886 -0.705 9.884 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.971 -9.944 8.748 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.579 -10.575 7.542 1.00 0.00 C ATOM 1208 C TRP A 76 -6.969 -11.114 7.886 1.00 0.00 C ATOM 1209 O TRP A 76 -7.840 -11.191 7.043 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.688 -11.726 7.068 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.322 -12.395 5.892 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.778 -13.669 5.877 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.579 -11.852 4.564 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -6.299 -13.942 4.624 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.199 -12.854 3.780 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.337 -10.600 3.971 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.565 -12.622 2.455 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.705 -10.363 2.636 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.317 -11.373 1.880 1.00 0.00 C ATOM 0 H TRP A 76 -4.191 -10.457 9.160 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.668 -9.831 6.751 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.702 -11.349 6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.544 -12.445 7.875 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.741 -14.360 6.707 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.707 -14.838 4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.866 -9.816 4.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.037 -13.403 1.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.516 -9.398 2.190 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.597 -11.186 0.854 1.00 0.00 H new ATOM 1230 N THR A 77 -7.183 -11.488 9.118 1.00 0.00 N ATOM 1231 CA THR A 77 -8.515 -12.025 9.515 1.00 0.00 C ATOM 1232 C THR A 77 -9.463 -10.867 9.836 1.00 0.00 C ATOM 1233 O THR A 77 -10.654 -10.945 9.604 1.00 0.00 O ATOM 1234 CB THR A 77 -8.350 -12.912 10.750 1.00 0.00 C ATOM 1235 OG1 THR A 77 -7.698 -12.176 11.776 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.514 -14.141 10.389 1.00 0.00 C ATOM 0 H THR A 77 -6.492 -11.445 9.867 1.00 0.00 H new ATOM 0 HA THR A 77 -8.932 -12.611 8.696 1.00 0.00 H new ATOM 0 HB THR A 77 -9.330 -13.234 11.101 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.744 -12.400 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.397 -14.773 11.270 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.016 -14.704 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.533 -13.823 10.037 1.00 0.00 H new ATOM 1244 N ASN A 78 -8.947 -9.790 10.366 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.821 -8.627 10.697 1.00 0.00 C ATOM 1246 C ASN A 78 -10.003 -7.762 9.450 1.00 0.00 C ATOM 1247 O ASN A 78 -10.952 -7.012 9.336 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.168 -7.795 11.802 1.00 0.00 C ATOM 1249 CG ASN A 78 -9.040 -8.640 13.071 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -8.132 -8.446 13.855 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -9.918 -9.575 13.309 1.00 0.00 N ATOM 0 H ASN A 78 -7.958 -9.665 10.584 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.792 -8.986 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.185 -7.452 11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.766 -6.906 12.003 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.842 -10.143 14.153 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.680 -9.738 12.651 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.100 -7.860 8.513 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.220 -7.045 7.273 1.00 0.00 C ATOM 1260 C ALA A 79 -10.229 -7.701 6.328 1.00 0.00 C ATOM 1261 O ALA A 79 -11.206 -7.098 5.932 1.00 0.00 O ATOM 1262 CB ALA A 79 -7.857 -6.960 6.584 1.00 0.00 C ATOM 0 H ALA A 79 -8.284 -8.470 8.554 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.560 -6.042 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.945 -6.363 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.138 -6.493 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.516 -7.963 6.327 1.00 0.00 H new ATOM 1268 N ASP A 80 -10.000 -8.933 5.964 1.00 0.00 N ATOM 1269 CA ASP A 80 -10.946 -9.627 5.045 1.00 0.00 C ATOM 1270 C ASP A 80 -12.357 -9.576 5.634 1.00 0.00 C ATOM 1271 O ASP A 80 -13.293 -9.144 4.992 1.00 0.00 O ATOM 1272 CB ASP A 80 -10.515 -11.085 4.876 1.00 0.00 C ATOM 1273 CG ASP A 80 -11.553 -11.831 4.034 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -12.597 -12.163 4.575 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -11.289 -12.055 2.865 1.00 0.00 O ATOM 0 H ASP A 80 -9.199 -9.489 6.263 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.940 -9.132 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.538 -11.133 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.413 -11.560 5.852 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.518 -10.015 6.853 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.869 -9.992 7.482 1.00 0.00 C ATOM 1282 C LYS A 81 -14.488 -8.604 7.308 1.00 0.00 C ATOM 1283 O LYS A 81 -13.755 -7.633 7.401 1.00 0.00 O ATOM 1284 CB LYS A 81 -13.742 -10.311 8.972 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.132 -10.560 9.561 1.00 0.00 C ATOM 1286 CD LYS A 81 -15.018 -10.753 11.075 1.00 0.00 C ATOM 1287 CE LYS A 81 -16.410 -10.982 11.668 1.00 0.00 C ATOM 1288 NZ LYS A 81 -16.871 -12.359 11.336 1.00 0.00 N ATOM 0 H LYS A 81 -11.772 -10.388 7.440 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.506 -10.736 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.112 -11.189 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.258 -9.484 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.789 -9.719 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.580 -11.443 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.373 -11.603 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.557 -9.876 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.383 -10.847 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.111 -10.247 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.734 -12.576 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.074 -12.421 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.127 -13.043 11.583 1.00 0.00 H new TER 1302 LYS A 81