USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot 80:sc= -0.512 USER MOD Set 1.2: A 103 GLN : amide:sc= -2.91 K(o=-3.4,f=-1.5) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.00465 USER MOD Set 2.2: A 82 THR OG1 : rot 90:sc= -2.18 USER MOD Set 3.1: A 27 CYS SG : rot -94:sc= -0.875 USER MOD Set 3.2: A 66 CYS SG : rot 94:sc= 1.03 USER MOD Set 4.1: A 23 ASN : amide:sc= -5.16! C(o=-8.8!,f=-9!) USER MOD Set 4.2: A 28 THR OG1 : rot -160:sc= -3.67! USER MOD Set 5.1: A 5 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.3!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -175:sc= 0 (180deg=-0.0348) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 169:sc= -0.786 (180deg=-0.97) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= -3.12! (180deg=-3.43!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -1.22 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= -5.71! C(o=-5.7!,f=-9.8!) USER MOD Single : A 37 TYR OH : rot -102:sc= 0.595 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 1.98 (180deg=0.729) USER MOD Single : A 45 GLN : amide:sc=-0.00645 X(o=-0.0065,f=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 64 GLN : amide:sc=-0.00254 X(o=-0.0025,f=-0.0025) USER MOD Single : A 67 TYR OH : rot 84:sc= 1.55 USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 0.188 (180deg=-0.184) USER MOD Single : A 74 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 165:sc= -1.06 (180deg=-1.42) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 104 TYR OH : rot -107:sc= 0.064 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.267 -10.237 -14.175 1.00 0.00 N ATOM 2 CA LEU A 1 -1.135 -9.222 -13.098 1.00 0.00 C ATOM 3 C LEU A 1 -0.764 -7.856 -13.668 1.00 0.00 C ATOM 4 O LEU A 1 0.291 -7.694 -14.280 1.00 0.00 O ATOM 5 CB LEU A 1 -0.059 -9.692 -12.116 1.00 0.00 C ATOM 6 CG LEU A 1 -0.531 -10.717 -11.079 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.053 -12.112 -11.450 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.040 -10.335 -9.690 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.602 -11.134 -13.768 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.949 -9.903 -14.885 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.342 -10.386 -14.627 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.092 -9.116 -12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.765 -10.125 -12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.337 -8.823 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.621 -10.720 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.398 -12.826 -10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.454 -12.387 -12.426 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.036 -12.125 -11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.384 -11.074 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.050 -10.303 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.433 -9.354 -9.422 1.00 0.00 H new ATOM 22 N GLU A 2 -1.638 -6.876 -13.463 1.00 0.00 N ATOM 23 CA GLU A 2 -1.400 -5.525 -13.956 1.00 0.00 C ATOM 24 C GLU A 2 -0.575 -4.719 -12.960 1.00 0.00 C ATOM 25 O GLU A 2 -0.507 -5.057 -11.779 1.00 0.00 O ATOM 26 CB GLU A 2 -2.729 -4.809 -14.219 1.00 0.00 C ATOM 27 CG GLU A 2 -2.733 -3.984 -15.497 1.00 0.00 C ATOM 28 CD GLU A 2 -3.416 -4.695 -16.649 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.825 -5.653 -17.189 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.542 -4.293 -17.011 1.00 0.00 O ATOM 0 H GLU A 2 -2.517 -6.992 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.843 -5.604 -14.890 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.527 -5.550 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.954 -4.157 -13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.236 -3.035 -15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.706 -3.750 -15.777 1.00 0.00 H new ATOM 37 N LYS A 3 0.038 -3.646 -13.444 1.00 0.00 N ATOM 38 CA LYS A 3 0.847 -2.781 -12.594 1.00 0.00 C ATOM 39 C LYS A 3 0.927 -1.377 -13.176 1.00 0.00 C ATOM 40 O LYS A 3 1.246 -1.197 -14.350 1.00 0.00 O ATOM 41 CB LYS A 3 2.259 -3.347 -12.422 1.00 0.00 C ATOM 42 CG LYS A 3 2.297 -4.844 -12.167 1.00 0.00 C ATOM 43 CD LYS A 3 3.721 -5.333 -11.961 1.00 0.00 C ATOM 44 CE LYS A 3 3.786 -6.451 -10.934 1.00 0.00 C ATOM 45 NZ LYS A 3 4.707 -7.542 -11.358 1.00 0.00 N ATOM 0 H LYS A 3 -0.009 -3.354 -14.420 1.00 0.00 H new ATOM 0 HA LYS A 3 0.366 -2.735 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.840 -3.126 -13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.746 -2.835 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.698 -5.081 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.848 -5.370 -13.009 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.126 -5.686 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.348 -4.503 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.118 -6.047 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.787 -6.859 -10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.723 -8.285 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.376 -7.945 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.666 -7.158 -11.482 1.00 0.00 H new ATOM 59 N PHE A 4 0.643 -0.383 -12.345 1.00 0.00 N ATOM 60 CA PHE A 4 0.694 1.007 -12.771 1.00 0.00 C ATOM 61 C PHE A 4 1.380 1.859 -11.711 1.00 0.00 C ATOM 62 O PHE A 4 1.697 1.372 -10.628 1.00 0.00 O ATOM 63 CB PHE A 4 -0.716 1.533 -13.062 1.00 0.00 C ATOM 64 CG PHE A 4 -1.574 1.716 -11.840 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.226 0.638 -11.259 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.741 2.971 -11.280 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.022 0.812 -10.144 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.536 3.145 -10.170 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.178 2.069 -9.601 1.00 0.00 C ATOM 0 H PHE A 4 0.374 -0.515 -11.370 1.00 0.00 H new ATOM 0 HA PHE A 4 1.275 1.068 -13.691 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.635 2.488 -13.581 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.215 0.843 -13.742 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.110 -0.348 -11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.242 3.823 -11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.521 -0.036 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.656 4.130 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.803 2.209 -8.731 1.00 0.00 H new ATOM 79 N ASN A 5 1.619 3.127 -12.028 1.00 0.00 N ATOM 80 CA ASN A 5 2.284 4.028 -11.093 1.00 0.00 C ATOM 81 C ASN A 5 1.311 5.059 -10.532 1.00 0.00 C ATOM 82 O ASN A 5 0.490 5.618 -11.259 1.00 0.00 O ATOM 83 CB ASN A 5 3.454 4.734 -11.785 1.00 0.00 C ATOM 84 CG ASN A 5 4.787 4.420 -11.132 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.776 4.147 -11.813 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.820 4.455 -9.804 1.00 0.00 N ATOM 0 H ASN A 5 1.364 3.552 -12.919 1.00 0.00 H new ATOM 0 HA ASN A 5 2.663 3.432 -10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.487 4.435 -12.833 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.288 5.811 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.689 4.251 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.977 4.686 -9.279 1.00 0.00 H new ATOM 93 N VAL A 6 1.415 5.304 -9.230 1.00 0.00 N ATOM 94 CA VAL A 6 0.550 6.266 -8.560 1.00 0.00 C ATOM 95 C VAL A 6 1.371 7.343 -7.871 1.00 0.00 C ATOM 96 O VAL A 6 1.995 7.095 -6.842 1.00 0.00 O ATOM 97 CB VAL A 6 -0.337 5.577 -7.504 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.454 6.501 -7.046 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.891 4.278 -8.044 1.00 0.00 C ATOM 0 H VAL A 6 2.091 4.848 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.081 6.716 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 6 0.280 5.348 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.065 5.991 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.024 7.402 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.074 6.773 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.515 3.805 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.490 4.479 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.068 3.612 -8.304 1.00 0.00 H new ATOM 109 N ASP A 7 1.364 8.544 -8.430 1.00 0.00 N ATOM 110 CA ASP A 7 2.113 9.644 -7.846 1.00 0.00 C ATOM 111 C ASP A 7 1.172 10.684 -7.254 1.00 0.00 C ATOM 112 O ASP A 7 0.274 11.177 -7.936 1.00 0.00 O ATOM 113 CB ASP A 7 3.004 10.296 -8.906 1.00 0.00 C ATOM 114 CG ASP A 7 3.993 11.276 -8.306 1.00 0.00 C ATOM 115 OD1 ASP A 7 4.598 10.946 -7.265 1.00 0.00 O ATOM 116 OD2 ASP A 7 4.161 12.374 -8.877 1.00 0.00 O ATOM 0 H ASP A 7 0.852 8.780 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 7 2.738 9.245 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.547 9.521 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.379 10.814 -9.633 1.00 0.00 H new ATOM 121 N LEU A 8 1.389 11.031 -5.989 1.00 0.00 N ATOM 122 CA LEU A 8 0.558 12.033 -5.335 1.00 0.00 C ATOM 123 C LEU A 8 1.362 12.805 -4.300 1.00 0.00 C ATOM 124 O LEU A 8 2.404 12.345 -3.841 1.00 0.00 O ATOM 125 CB LEU A 8 -0.702 11.411 -4.696 1.00 0.00 C ATOM 126 CG LEU A 8 -0.504 10.198 -3.769 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.327 9.115 -4.435 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.112 10.615 -2.437 1.00 0.00 C ATOM 0 H LEU A 8 2.125 10.638 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 8 0.221 12.728 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.210 12.190 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.375 11.113 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.490 9.780 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.446 8.275 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.175 8.777 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.308 9.515 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.239 9.737 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.083 11.078 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.545 11.328 -1.940 1.00 0.00 H new ATOM 140 N MET A 9 0.882 13.987 -3.949 1.00 0.00 N ATOM 141 CA MET A 9 1.571 14.819 -2.976 1.00 0.00 C ATOM 142 C MET A 9 1.448 14.233 -1.580 1.00 0.00 C ATOM 143 O MET A 9 0.355 14.159 -1.018 1.00 0.00 O ATOM 144 CB MET A 9 1.015 16.241 -3.009 1.00 0.00 C ATOM 145 CG MET A 9 1.846 17.189 -3.858 1.00 0.00 C ATOM 146 SD MET A 9 2.763 18.390 -2.873 1.00 0.00 S ATOM 147 CE MET A 9 4.422 17.725 -2.995 1.00 0.00 C ATOM 0 H MET A 9 0.022 14.390 -4.321 1.00 0.00 H new ATOM 0 HA MET A 9 2.628 14.850 -3.239 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.004 16.217 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.962 16.627 -1.991 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.546 16.610 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.191 17.718 -4.550 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.135 18.452 -2.607 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.489 16.805 -2.414 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.653 17.512 -4.039 1.00 0.00 H new ATOM 157 N LYS A 10 2.578 13.812 -1.029 1.00 0.00 N ATOM 158 CA LYS A 10 2.602 13.224 0.300 1.00 0.00 C ATOM 159 C LYS A 10 2.945 14.261 1.358 1.00 0.00 C ATOM 160 O LYS A 10 3.801 15.121 1.150 1.00 0.00 O ATOM 161 CB LYS A 10 3.606 12.076 0.358 1.00 0.00 C ATOM 162 CG LYS A 10 2.980 10.755 0.769 1.00 0.00 C ATOM 163 CD LYS A 10 2.914 10.633 2.283 1.00 0.00 C ATOM 164 CE LYS A 10 2.376 9.284 2.732 1.00 0.00 C ATOM 165 NZ LYS A 10 2.515 8.233 1.682 1.00 0.00 N ATOM 0 H LYS A 10 3.490 13.867 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 10 1.604 12.839 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.073 11.961 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.398 12.330 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.977 10.678 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.561 9.929 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.910 10.781 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.280 11.425 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.905 8.967 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.325 9.387 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.029 7.367 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.091 8.571 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.523 8.028 1.528 1.00 0.00 H new ATOM 179 N LYS A 11 2.276 14.160 2.496 1.00 0.00 N ATOM 180 CA LYS A 11 2.511 15.077 3.604 1.00 0.00 C ATOM 181 C LYS A 11 2.667 14.304 4.908 1.00 0.00 C ATOM 182 O LYS A 11 1.807 14.362 5.788 1.00 0.00 O ATOM 183 CB LYS A 11 1.366 16.084 3.721 1.00 0.00 C ATOM 184 CG LYS A 11 0.869 16.600 2.380 1.00 0.00 C ATOM 185 CD LYS A 11 1.846 17.591 1.767 1.00 0.00 C ATOM 186 CE LYS A 11 1.272 18.242 0.520 1.00 0.00 C ATOM 187 NZ LYS A 11 1.012 19.695 0.722 1.00 0.00 N ATOM 0 H LYS A 11 1.565 13.452 2.678 1.00 0.00 H new ATOM 0 HA LYS A 11 3.434 15.623 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.536 15.617 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.696 16.928 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.723 15.762 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.102 17.078 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.093 18.360 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.775 17.079 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.965 18.109 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.344 17.742 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.621 20.102 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.331 19.821 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.902 20.177 0.961 1.00 0.00 H new ATOM 201 N ALA A 12 3.771 13.575 5.021 1.00 0.00 N ATOM 202 CA ALA A 12 4.053 12.781 6.210 1.00 0.00 C ATOM 203 C ALA A 12 2.910 11.812 6.516 1.00 0.00 C ATOM 204 O ALA A 12 2.757 11.361 7.651 1.00 0.00 O ATOM 205 CB ALA A 12 4.305 13.692 7.401 1.00 0.00 C ATOM 0 H ALA A 12 4.489 13.518 4.299 1.00 0.00 H new ATOM 0 HA ALA A 12 4.949 12.191 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.515 13.088 8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.159 14.337 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.423 14.306 7.583 1.00 0.00 H new ATOM 211 N GLY A 13 2.108 11.494 5.500 1.00 0.00 N ATOM 212 CA GLY A 13 0.994 10.582 5.690 1.00 0.00 C ATOM 213 C GLY A 13 -0.264 11.290 6.156 1.00 0.00 C ATOM 214 O GLY A 13 -0.305 11.833 7.259 1.00 0.00 O ATOM 0 H GLY A 13 2.211 11.852 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.789 10.064 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.271 9.822 6.421 1.00 0.00 H new ATOM 218 N LYS A 14 -1.292 11.288 5.311 1.00 0.00 N ATOM 219 CA LYS A 14 -2.553 11.942 5.648 1.00 0.00 C ATOM 220 C LYS A 14 -3.697 11.445 4.754 1.00 0.00 C ATOM 221 O LYS A 14 -4.306 10.409 5.022 1.00 0.00 O ATOM 222 CB LYS A 14 -2.409 13.462 5.526 1.00 0.00 C ATOM 223 CG LYS A 14 -1.511 13.903 4.381 1.00 0.00 C ATOM 224 CD LYS A 14 -1.883 15.295 3.894 1.00 0.00 C ATOM 225 CE LYS A 14 -1.704 16.337 4.986 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.955 17.105 5.233 1.00 0.00 N ATOM 0 H LYS A 14 -1.277 10.843 4.393 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.798 11.687 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.397 13.902 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.010 13.856 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.471 13.895 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.592 13.193 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.265 15.558 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.919 15.297 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.392 15.846 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.906 17.024 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.790 17.805 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.240 17.594 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.710 16.453 5.527 1.00 0.00 H new ATOM 240 N GLU A 15 -3.979 12.200 3.694 1.00 0.00 N ATOM 241 CA GLU A 15 -5.032 11.877 2.747 1.00 0.00 C ATOM 242 C GLU A 15 -4.707 10.627 1.927 1.00 0.00 C ATOM 243 O GLU A 15 -5.525 10.185 1.123 1.00 0.00 O ATOM 244 CB GLU A 15 -5.296 13.070 1.830 1.00 0.00 C ATOM 245 CG GLU A 15 -6.382 13.999 2.348 1.00 0.00 C ATOM 246 CD GLU A 15 -6.391 15.339 1.638 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.299 15.830 1.283 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.490 15.898 1.440 1.00 0.00 O ATOM 0 H GLU A 15 -3.476 13.059 3.471 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.934 11.657 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.372 13.636 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.580 12.705 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.354 13.520 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.239 14.159 3.417 1.00 0.00 H new ATOM 255 N LEU A 16 -3.509 10.066 2.108 1.00 0.00 N ATOM 256 CA LEU A 16 -3.107 8.878 1.352 1.00 0.00 C ATOM 257 C LEU A 16 -4.247 7.870 1.320 1.00 0.00 C ATOM 258 O LEU A 16 -4.441 7.159 0.333 1.00 0.00 O ATOM 259 CB LEU A 16 -1.876 8.235 1.994 1.00 0.00 C ATOM 260 CG LEU A 16 -0.535 8.617 1.368 1.00 0.00 C ATOM 261 CD1 LEU A 16 -0.356 7.932 0.023 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.424 10.129 1.224 1.00 0.00 C ATOM 0 H LEU A 16 -2.808 10.410 2.764 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.863 9.180 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.855 8.505 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.985 7.152 1.944 1.00 0.00 H new ATOM 0 HG LEU A 16 0.262 8.278 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.605 8.217 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.386 6.851 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.158 8.236 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.537 10.382 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.229 10.494 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.501 10.595 2.207 1.00 0.00 H new ATOM 274 N GLY A 17 -5.019 7.851 2.400 1.00 0.00 N ATOM 275 CA GLY A 17 -6.169 6.975 2.505 1.00 0.00 C ATOM 276 C GLY A 17 -6.017 5.643 1.794 1.00 0.00 C ATOM 277 O GLY A 17 -6.891 5.244 1.025 1.00 0.00 O ATOM 0 H GLY A 17 -4.864 8.439 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.371 6.788 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.040 7.491 2.100 1.00 0.00 H new ATOM 281 N LEU A 18 -4.927 4.945 2.064 1.00 0.00 N ATOM 282 CA LEU A 18 -4.695 3.645 1.456 1.00 0.00 C ATOM 283 C LEU A 18 -4.066 2.694 2.465 1.00 0.00 C ATOM 284 O LEU A 18 -2.845 2.638 2.608 1.00 0.00 O ATOM 285 CB LEU A 18 -3.809 3.780 0.217 1.00 0.00 C ATOM 286 CG LEU A 18 -2.440 4.421 0.465 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.333 3.386 0.349 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.202 5.569 -0.505 1.00 0.00 C ATOM 0 H LEU A 18 -4.191 5.255 2.698 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.655 3.233 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.657 2.789 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.341 4.372 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.430 4.821 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.369 3.862 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.492 2.599 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.343 2.953 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.224 6.011 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.236 5.194 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.975 6.325 -0.370 1.00 0.00 H new ATOM 300 N SER A 19 -4.917 1.953 3.169 1.00 0.00 N ATOM 301 CA SER A 19 -4.456 1.005 4.174 1.00 0.00 C ATOM 302 C SER A 19 -3.731 -0.165 3.522 1.00 0.00 C ATOM 303 O SER A 19 -4.309 -0.888 2.710 1.00 0.00 O ATOM 304 CB SER A 19 -5.634 0.497 5.007 1.00 0.00 C ATOM 305 OG SER A 19 -5.305 -0.705 5.683 1.00 0.00 O ATOM 0 H SER A 19 -5.930 1.992 3.061 1.00 0.00 H new ATOM 0 HA SER A 19 -3.756 1.520 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.924 1.257 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.495 0.329 4.360 1.00 0.00 H new ATOM 0 HG SER A 19 -4.785 -0.496 6.487 1.00 0.00 H new ATOM 311 N LEU A 20 -2.462 -0.332 3.879 1.00 0.00 N ATOM 312 CA LEU A 20 -1.641 -1.402 3.326 1.00 0.00 C ATOM 313 C LEU A 20 -1.653 -2.638 4.223 1.00 0.00 C ATOM 314 O LEU A 20 -2.098 -2.586 5.369 1.00 0.00 O ATOM 315 CB LEU A 20 -0.202 -0.915 3.146 1.00 0.00 C ATOM 316 CG LEU A 20 0.177 -0.517 1.720 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.746 0.579 1.212 1.00 0.00 C ATOM 318 CD2 LEU A 20 1.628 -0.065 1.664 1.00 0.00 C ATOM 0 H LEU A 20 -1.978 0.263 4.552 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.062 -1.679 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.041 -0.058 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.475 -1.702 3.479 1.00 0.00 H new ATOM 0 HG LEU A 20 0.063 -1.388 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.463 0.851 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.775 0.220 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.663 1.453 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.883 0.215 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.767 0.794 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.276 -0.879 1.989 1.00 0.00 H new ATOM 330 N SER A 21 -1.144 -3.741 3.686 1.00 0.00 N ATOM 331 CA SER A 21 -1.071 -4.999 4.422 1.00 0.00 C ATOM 332 C SER A 21 0.210 -5.748 4.055 1.00 0.00 C ATOM 333 O SER A 21 0.859 -5.424 3.064 1.00 0.00 O ATOM 334 CB SER A 21 -2.298 -5.867 4.127 1.00 0.00 C ATOM 335 OG SER A 21 -2.950 -6.253 5.324 1.00 0.00 O ATOM 0 H SER A 21 -0.773 -3.790 2.737 1.00 0.00 H new ATOM 0 HA SER A 21 -1.056 -4.777 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.992 -5.317 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.994 -6.755 3.572 1.00 0.00 H new ATOM 0 HG SER A 21 -3.731 -6.805 5.108 1.00 0.00 H new ATOM 341 N PRO A 22 0.599 -6.757 4.852 1.00 0.00 N ATOM 342 CA PRO A 22 1.816 -7.535 4.596 1.00 0.00 C ATOM 343 C PRO A 22 1.689 -8.441 3.374 1.00 0.00 C ATOM 344 O PRO A 22 0.733 -9.208 3.255 1.00 0.00 O ATOM 345 CB PRO A 22 1.976 -8.373 5.867 1.00 0.00 C ATOM 346 CG PRO A 22 0.597 -8.494 6.417 1.00 0.00 C ATOM 347 CD PRO A 22 -0.106 -7.212 6.065 1.00 0.00 C ATOM 0 HA PRO A 22 2.669 -6.891 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.401 -9.352 5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.645 -7.889 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.080 -9.352 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.620 -8.642 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.167 -7.375 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.034 -6.480 6.870 1.00 0.00 H new ATOM 355 N ASN A 23 2.661 -8.349 2.469 1.00 0.00 N ATOM 356 CA ASN A 23 2.660 -9.164 1.258 1.00 0.00 C ATOM 357 C ASN A 23 4.068 -9.658 0.928 1.00 0.00 C ATOM 358 O ASN A 23 5.058 -9.131 1.434 1.00 0.00 O ATOM 359 CB ASN A 23 2.089 -8.377 0.075 1.00 0.00 C ATOM 360 CG ASN A 23 0.874 -9.053 -0.531 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.736 -9.130 -1.752 1.00 0.00 O ATOM 362 ND2 ASN A 23 -0.016 -9.546 0.323 1.00 0.00 N ATOM 0 H ASN A 23 3.458 -7.718 2.552 1.00 0.00 H new ATOM 0 HA ASN A 23 2.025 -10.030 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.818 -7.374 0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.858 -8.264 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.854 -10.011 -0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.139 -9.460 1.327 1.00 0.00 H new ATOM 369 N GLU A 24 4.143 -10.679 0.079 1.00 0.00 N ATOM 370 CA GLU A 24 5.423 -11.259 -0.323 1.00 0.00 C ATOM 371 C GLU A 24 6.066 -10.465 -1.457 1.00 0.00 C ATOM 372 O GLU A 24 7.256 -10.614 -1.732 1.00 0.00 O ATOM 373 CB GLU A 24 5.222 -12.708 -0.765 1.00 0.00 C ATOM 374 CG GLU A 24 4.229 -12.862 -1.907 1.00 0.00 C ATOM 375 CD GLU A 24 3.219 -13.966 -1.661 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.643 -15.123 -1.459 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.005 -13.673 -1.670 1.00 0.00 O ATOM 0 H GLU A 24 3.330 -11.124 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 24 6.090 -11.224 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.182 -13.123 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.878 -13.295 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.702 -11.919 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.772 -13.071 -2.829 1.00 0.00 H new ATOM 384 N ILE A 25 5.270 -9.636 -2.121 1.00 0.00 N ATOM 385 CA ILE A 25 5.757 -8.832 -3.236 1.00 0.00 C ATOM 386 C ILE A 25 5.634 -7.338 -2.953 1.00 0.00 C ATOM 387 O ILE A 25 6.113 -6.510 -3.729 1.00 0.00 O ATOM 388 CB ILE A 25 4.986 -9.165 -4.521 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.478 -9.114 -4.251 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.401 -10.535 -5.036 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.632 -9.581 -5.413 1.00 0.00 C ATOM 0 H ILE A 25 4.282 -9.502 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 25 6.812 -9.075 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 25 5.223 -8.427 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.254 -9.730 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.198 -8.091 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.849 -10.763 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.470 -10.535 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.182 -11.289 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.578 -9.515 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.826 -8.950 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.882 -10.615 -5.653 1.00 0.00 H new ATOM 403 N GLY A 26 4.990 -7.000 -1.846 1.00 0.00 N ATOM 404 CA GLY A 26 4.816 -5.610 -1.482 1.00 0.00 C ATOM 405 C GLY A 26 3.851 -5.447 -0.331 1.00 0.00 C ATOM 406 O GLY A 26 4.033 -6.052 0.725 1.00 0.00 O ATOM 0 H GLY A 26 4.583 -7.667 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.781 -5.182 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.451 -5.052 -2.344 1.00 0.00 H new ATOM 410 N CYS A 27 2.819 -4.637 -0.528 1.00 0.00 N ATOM 411 CA CYS A 27 1.831 -4.419 0.516 1.00 0.00 C ATOM 412 C CYS A 27 0.422 -4.341 -0.059 1.00 0.00 C ATOM 413 O CYS A 27 0.042 -3.341 -0.667 1.00 0.00 O ATOM 414 CB CYS A 27 2.151 -3.140 1.289 1.00 0.00 C ATOM 415 SG CYS A 27 3.438 -3.340 2.542 1.00 0.00 S ATOM 0 H CYS A 27 2.646 -4.125 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 27 1.872 -5.270 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.462 -2.370 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.241 -2.782 1.771 1.00 0.00 H new ATOM 0 HG CYS A 27 2.888 -3.587 3.694 1.00 0.00 H new ATOM 421 N THR A 28 -0.355 -5.398 0.154 1.00 0.00 N ATOM 422 CA THR A 28 -1.729 -5.447 -0.326 1.00 0.00 C ATOM 423 C THR A 28 -2.575 -4.401 0.391 1.00 0.00 C ATOM 424 O THR A 28 -2.575 -4.330 1.618 1.00 0.00 O ATOM 425 CB THR A 28 -2.322 -6.838 -0.102 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.585 -7.818 -0.813 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.771 -6.948 -0.529 1.00 0.00 C ATOM 0 H THR A 28 -0.055 -6.233 0.657 1.00 0.00 H new ATOM 0 HA THR A 28 -1.730 -5.232 -1.395 1.00 0.00 H new ATOM 0 HB THR A 28 -2.266 -7.007 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.134 -8.622 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.129 -7.960 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.373 -6.240 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.855 -6.723 -1.592 1.00 0.00 H new ATOM 435 N ILE A 29 -3.294 -3.592 -0.376 1.00 0.00 N ATOM 436 CA ILE A 29 -4.141 -2.560 0.205 1.00 0.00 C ATOM 437 C ILE A 29 -5.322 -3.187 0.937 1.00 0.00 C ATOM 438 O ILE A 29 -6.273 -3.662 0.315 1.00 0.00 O ATOM 439 CB ILE A 29 -4.659 -1.582 -0.869 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.483 -0.921 -1.592 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.563 -0.527 -0.245 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.861 -0.298 -2.918 1.00 0.00 C ATOM 0 H ILE A 29 -3.308 -3.630 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.531 -2.000 0.914 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.245 -2.145 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.056 -0.153 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.705 -1.666 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.918 0.153 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.416 -1.013 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.004 0.035 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.979 0.151 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.260 -1.066 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.617 0.470 -2.757 1.00 0.00 H new ATOM 454 N ALA A 30 -5.253 -3.186 2.265 1.00 0.00 N ATOM 455 CA ALA A 30 -6.313 -3.754 3.085 1.00 0.00 C ATOM 456 C ALA A 30 -7.590 -2.935 2.974 1.00 0.00 C ATOM 457 O ALA A 30 -8.694 -3.472 3.072 1.00 0.00 O ATOM 458 CB ALA A 30 -5.865 -3.842 4.536 1.00 0.00 C ATOM 0 H ALA A 30 -4.473 -2.797 2.795 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.524 -4.759 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.667 -4.268 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.981 -4.476 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.626 -2.844 4.904 1.00 0.00 H new ATOM 464 N ASP A 31 -7.439 -1.630 2.768 1.00 0.00 N ATOM 465 CA ASP A 31 -8.593 -0.745 2.644 1.00 0.00 C ATOM 466 C ASP A 31 -8.211 0.571 1.980 1.00 0.00 C ATOM 467 O ASP A 31 -7.034 0.846 1.752 1.00 0.00 O ATOM 468 CB ASP A 31 -9.200 -0.465 4.018 1.00 0.00 C ATOM 469 CG ASP A 31 -10.274 -1.468 4.392 1.00 0.00 C ATOM 470 OD1 ASP A 31 -9.932 -2.508 4.993 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.456 -1.213 4.084 1.00 0.00 O ATOM 0 H ASP A 31 -6.535 -1.164 2.684 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.329 -1.249 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.412 -0.483 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.625 0.539 4.026 1.00 0.00 H new ATOM 476 N LEU A 32 -9.218 1.380 1.676 1.00 0.00 N ATOM 477 CA LEU A 32 -8.999 2.663 1.044 1.00 0.00 C ATOM 478 C LEU A 32 -10.122 3.643 1.373 1.00 0.00 C ATOM 479 O LEU A 32 -11.297 3.358 1.145 1.00 0.00 O ATOM 480 CB LEU A 32 -8.873 2.489 -0.470 1.00 0.00 C ATOM 481 CG LEU A 32 -7.590 3.058 -1.055 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.813 1.983 -1.802 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.888 4.239 -1.966 1.00 0.00 C ATOM 0 H LEU A 32 -10.198 1.163 1.860 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.069 3.077 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.929 1.427 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.724 2.970 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.971 3.413 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.899 2.413 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.558 1.175 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.425 1.590 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.955 4.629 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.532 3.915 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.390 5.021 -1.396 1.00 0.00 H new ATOM 495 N ILE A 33 -9.743 4.803 1.900 1.00 0.00 N ATOM 496 CA ILE A 33 -10.710 5.834 2.249 1.00 0.00 C ATOM 497 C ILE A 33 -10.805 6.860 1.126 1.00 0.00 C ATOM 498 O ILE A 33 -9.952 7.738 0.994 1.00 0.00 O ATOM 499 CB ILE A 33 -10.340 6.546 3.571 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.910 7.083 3.520 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.505 5.611 4.745 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.421 7.644 4.839 1.00 0.00 C ATOM 0 H ILE A 33 -8.773 5.051 2.094 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.675 5.346 2.389 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.019 7.389 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.242 6.281 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.851 7.862 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.240 6.132 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.541 5.278 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.853 4.747 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.399 8.006 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.065 8.468 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.446 6.863 5.598 1.00 0.00 H new ATOM 514 N GLN A 34 -11.841 6.733 0.309 1.00 0.00 N ATOM 515 CA GLN A 34 -12.038 7.639 -0.814 1.00 0.00 C ATOM 516 C GLN A 34 -12.420 9.032 -0.329 1.00 0.00 C ATOM 517 O GLN A 34 -12.854 9.208 0.809 1.00 0.00 O ATOM 518 CB GLN A 34 -13.103 7.081 -1.757 1.00 0.00 C ATOM 519 CG GLN A 34 -12.720 5.734 -2.351 1.00 0.00 C ATOM 520 CD GLN A 34 -13.738 5.228 -3.356 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.832 5.780 -3.481 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.381 4.173 -4.080 1.00 0.00 N ATOM 0 H GLN A 34 -12.557 6.013 0.402 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.099 7.724 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.043 6.979 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.275 7.793 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.747 5.818 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.614 5.004 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.464 3.747 -3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.024 3.789 -4.773 1.00 0.00 H new ATOM 531 N GLY A 35 -12.234 10.022 -1.195 1.00 0.00 N ATOM 532 CA GLY A 35 -12.540 11.392 -0.828 1.00 0.00 C ATOM 533 C GLY A 35 -11.391 12.050 -0.083 1.00 0.00 C ATOM 534 O GLY A 35 -11.499 13.193 0.359 1.00 0.00 O ATOM 0 H GLY A 35 -11.877 9.901 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.766 11.966 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.434 11.410 -0.205 1.00 0.00 H new ATOM 538 N GLN A 36 -10.285 11.318 0.053 1.00 0.00 N ATOM 539 CA GLN A 36 -9.105 11.818 0.742 1.00 0.00 C ATOM 540 C GLN A 36 -8.104 12.396 -0.252 1.00 0.00 C ATOM 541 O GLN A 36 -7.520 13.453 -0.018 1.00 0.00 O ATOM 542 CB GLN A 36 -8.467 10.690 1.562 1.00 0.00 C ATOM 543 CG GLN A 36 -8.929 10.640 3.010 1.00 0.00 C ATOM 544 CD GLN A 36 -10.435 10.756 3.158 1.00 0.00 C ATOM 545 OE1 GLN A 36 -11.058 11.665 2.609 1.00 0.00 O ATOM 546 NE2 GLN A 36 -11.028 9.835 3.909 1.00 0.00 N ATOM 0 H GLN A 36 -10.186 10.370 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.404 12.619 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.693 9.736 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.384 10.807 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.597 9.704 3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.452 11.447 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.473 9.099 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.038 9.864 4.049 1.00 0.00 H new ATOM 555 N TYR A 37 -7.924 11.708 -1.370 1.00 0.00 N ATOM 556 CA TYR A 37 -7.007 12.167 -2.405 1.00 0.00 C ATOM 557 C TYR A 37 -7.564 11.847 -3.791 1.00 0.00 C ATOM 558 O TYR A 37 -8.161 10.790 -3.999 1.00 0.00 O ATOM 559 CB TYR A 37 -5.628 11.527 -2.226 1.00 0.00 C ATOM 560 CG TYR A 37 -4.647 12.360 -1.416 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.646 13.750 -1.482 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.705 11.746 -0.600 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.735 14.497 -0.759 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.796 12.487 0.128 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.812 13.862 0.042 1.00 0.00 C ATOM 566 OH TYR A 37 -1.904 14.603 0.764 1.00 0.00 O ATOM 0 H TYR A 37 -8.399 10.831 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.900 13.248 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.751 10.559 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.199 11.338 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.368 14.253 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.684 10.668 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.747 15.575 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.076 11.991 0.762 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.034 14.582 0.314 1.00 0.00 H new ATOM 576 N PRO A 38 -7.390 12.767 -4.755 1.00 0.00 N ATOM 577 CA PRO A 38 -7.894 12.586 -6.121 1.00 0.00 C ATOM 578 C PRO A 38 -7.127 11.528 -6.911 1.00 0.00 C ATOM 579 O PRO A 38 -7.729 10.654 -7.534 1.00 0.00 O ATOM 580 CB PRO A 38 -7.703 13.964 -6.752 1.00 0.00 C ATOM 581 CG PRO A 38 -6.589 14.588 -5.987 1.00 0.00 C ATOM 582 CD PRO A 38 -6.704 14.063 -4.584 1.00 0.00 C ATOM 0 HA PRO A 38 -8.925 12.233 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.457 13.882 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.613 14.560 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.624 14.329 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.665 15.675 -6.004 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.725 13.941 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.276 14.739 -3.948 1.00 0.00 H new ATOM 590 N GLU A 39 -5.802 11.615 -6.891 1.00 0.00 N ATOM 591 CA GLU A 39 -4.969 10.663 -7.620 1.00 0.00 C ATOM 592 C GLU A 39 -5.155 9.251 -7.084 1.00 0.00 C ATOM 593 O GLU A 39 -5.306 8.302 -7.851 1.00 0.00 O ATOM 594 CB GLU A 39 -3.495 11.065 -7.531 1.00 0.00 C ATOM 595 CG GLU A 39 -3.144 12.283 -8.370 1.00 0.00 C ATOM 596 CD GLU A 39 -2.703 13.465 -7.528 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.451 13.846 -6.603 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.611 14.009 -7.796 1.00 0.00 O ATOM 0 H GLU A 39 -5.283 12.330 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.279 10.678 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.245 11.267 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.878 10.225 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.348 12.022 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.010 12.570 -8.967 1.00 0.00 H new ATOM 605 N ILE A 40 -5.144 9.118 -5.765 1.00 0.00 N ATOM 606 CA ILE A 40 -5.314 7.820 -5.130 1.00 0.00 C ATOM 607 C ILE A 40 -6.670 7.218 -5.475 1.00 0.00 C ATOM 608 O ILE A 40 -6.761 6.063 -5.896 1.00 0.00 O ATOM 609 CB ILE A 40 -5.182 7.926 -3.602 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.928 8.733 -3.240 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.146 6.537 -2.979 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.481 8.557 -1.808 1.00 0.00 C ATOM 0 H ILE A 40 -5.019 9.894 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.525 7.171 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.050 8.449 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.114 8.439 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.122 9.790 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.052 6.626 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.066 6.006 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.293 5.984 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.590 9.158 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.277 8.879 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.253 7.507 -1.624 1.00 0.00 H new ATOM 624 N ASP A 41 -7.720 8.011 -5.303 1.00 0.00 N ATOM 625 CA ASP A 41 -9.076 7.569 -5.605 1.00 0.00 C ATOM 626 C ASP A 41 -9.198 7.165 -7.070 1.00 0.00 C ATOM 627 O ASP A 41 -9.999 6.298 -7.423 1.00 0.00 O ATOM 628 CB ASP A 41 -10.077 8.681 -5.284 1.00 0.00 C ATOM 629 CG ASP A 41 -10.506 8.669 -3.830 1.00 0.00 C ATOM 630 OD1 ASP A 41 -9.677 8.310 -2.967 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.672 9.023 -3.551 1.00 0.00 O ATOM 0 H ASP A 41 -7.658 8.968 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.299 6.699 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.631 9.647 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.955 8.571 -5.920 1.00 0.00 H new ATOM 636 N SER A 42 -8.401 7.804 -7.919 1.00 0.00 N ATOM 637 CA SER A 42 -8.415 7.523 -9.349 1.00 0.00 C ATOM 638 C SER A 42 -7.345 6.499 -9.722 1.00 0.00 C ATOM 639 O SER A 42 -7.338 5.972 -10.835 1.00 0.00 O ATOM 640 CB SER A 42 -8.179 8.811 -10.139 1.00 0.00 C ATOM 641 OG SER A 42 -9.397 9.495 -10.378 1.00 0.00 O ATOM 0 H SER A 42 -7.734 8.523 -7.639 1.00 0.00 H new ATOM 0 HA SER A 42 -9.393 7.111 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.497 9.459 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.698 8.576 -11.089 1.00 0.00 H new ATOM 0 HG SER A 42 -9.218 10.315 -10.883 1.00 0.00 H new ATOM 647 N LYS A 43 -6.431 6.238 -8.795 1.00 0.00 N ATOM 648 CA LYS A 43 -5.346 5.301 -9.036 1.00 0.00 C ATOM 649 C LYS A 43 -5.485 4.042 -8.188 1.00 0.00 C ATOM 650 O LYS A 43 -5.839 2.977 -8.691 1.00 0.00 O ATOM 651 CB LYS A 43 -4.009 5.979 -8.741 1.00 0.00 C ATOM 652 CG LYS A 43 -3.638 7.044 -9.758 1.00 0.00 C ATOM 653 CD LYS A 43 -2.458 6.630 -10.620 1.00 0.00 C ATOM 654 CE LYS A 43 -2.881 6.403 -12.063 1.00 0.00 C ATOM 655 NZ LYS A 43 -3.661 5.148 -12.235 1.00 0.00 N ATOM 0 H LYS A 43 -6.422 6.664 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.389 5.001 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.050 6.431 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.224 5.223 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.497 7.249 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.398 7.972 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.688 7.401 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.015 5.717 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.480 7.249 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.995 6.367 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.623 4.849 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.256 4.402 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.651 5.314 -11.961 1.00 0.00 H new ATOM 669 N LEU A 44 -5.181 4.169 -6.902 1.00 0.00 N ATOM 670 CA LEU A 44 -5.244 3.038 -5.985 1.00 0.00 C ATOM 671 C LEU A 44 -6.682 2.610 -5.709 1.00 0.00 C ATOM 672 O LEU A 44 -7.608 3.418 -5.764 1.00 0.00 O ATOM 673 CB LEU A 44 -4.539 3.382 -4.673 1.00 0.00 C ATOM 674 CG LEU A 44 -3.084 3.832 -4.821 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.416 3.925 -3.459 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.317 2.881 -5.726 1.00 0.00 C ATOM 0 H LEU A 44 -4.888 5.045 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.735 2.200 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.099 4.172 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.569 2.509 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.076 4.821 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.382 4.246 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.949 4.647 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.437 2.948 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.285 3.219 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.334 1.879 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.782 2.863 -6.712 1.00 0.00 H new ATOM 688 N GLN A 45 -6.849 1.326 -5.409 1.00 0.00 N ATOM 689 CA GLN A 45 -8.161 0.766 -5.114 1.00 0.00 C ATOM 690 C GLN A 45 -8.029 -0.450 -4.201 1.00 0.00 C ATOM 691 O GLN A 45 -6.921 -0.907 -3.921 1.00 0.00 O ATOM 692 CB GLN A 45 -8.873 0.370 -6.410 1.00 0.00 C ATOM 693 CG GLN A 45 -10.389 0.398 -6.304 1.00 0.00 C ATOM 694 CD GLN A 45 -11.047 0.960 -7.549 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.583 0.737 -8.667 1.00 0.00 O ATOM 696 NE2 GLN A 45 -12.137 1.696 -7.361 1.00 0.00 N ATOM 0 H GLN A 45 -6.086 0.651 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.752 1.526 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.560 1.044 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.556 -0.632 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.757 -0.613 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.679 0.998 -5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.488 1.856 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.623 2.101 -8.161 1.00 0.00 H new ATOM 705 N ARG A 46 -9.159 -0.969 -3.737 1.00 0.00 N ATOM 706 CA ARG A 46 -9.158 -2.128 -2.854 1.00 0.00 C ATOM 707 C ARG A 46 -8.821 -3.403 -3.623 1.00 0.00 C ATOM 708 O ARG A 46 -9.592 -3.849 -4.474 1.00 0.00 O ATOM 709 CB ARG A 46 -10.518 -2.275 -2.168 1.00 0.00 C ATOM 710 CG ARG A 46 -10.563 -1.674 -0.772 1.00 0.00 C ATOM 711 CD ARG A 46 -11.974 -1.261 -0.388 1.00 0.00 C ATOM 712 NE ARG A 46 -12.344 0.028 -0.968 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.342 0.785 -0.516 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.071 0.386 0.519 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.610 1.944 -1.101 1.00 0.00 N ATOM 0 H ARG A 46 -10.086 -0.606 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.391 -1.972 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.280 -1.798 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.773 -3.333 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.186 -2.399 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.904 -0.807 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.678 -2.024 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.053 -1.206 0.698 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.807 0.368 -1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.868 -0.505 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.834 0.970 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.052 2.255 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.374 2.525 -0.756 1.00 0.00 H new ATOM 729 N GLY A 47 -7.667 -3.987 -3.316 1.00 0.00 N ATOM 730 CA GLY A 47 -7.250 -5.208 -3.985 1.00 0.00 C ATOM 731 C GLY A 47 -5.987 -5.027 -4.806 1.00 0.00 C ATOM 732 O GLY A 47 -5.774 -5.734 -5.791 1.00 0.00 O ATOM 0 H GLY A 47 -7.013 -3.637 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.085 -5.987 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.054 -5.553 -4.635 1.00 0.00 H new ATOM 736 N ASP A 48 -5.150 -4.075 -4.405 1.00 0.00 N ATOM 737 CA ASP A 48 -3.907 -3.803 -5.113 1.00 0.00 C ATOM 738 C ASP A 48 -2.706 -3.951 -4.182 1.00 0.00 C ATOM 739 O ASP A 48 -2.731 -3.484 -3.046 1.00 0.00 O ATOM 740 CB ASP A 48 -3.941 -2.392 -5.696 1.00 0.00 C ATOM 741 CG ASP A 48 -4.834 -2.292 -6.916 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.998 -2.740 -6.837 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.373 -1.766 -7.950 1.00 0.00 O ATOM 0 H ASP A 48 -5.312 -3.480 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.806 -4.527 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.292 -1.696 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.929 -2.088 -5.964 1.00 0.00 H new ATOM 748 N ILE A 49 -1.654 -4.597 -4.675 1.00 0.00 N ATOM 749 CA ILE A 49 -0.445 -4.797 -3.882 1.00 0.00 C ATOM 750 C ILE A 49 0.673 -3.878 -4.361 1.00 0.00 C ATOM 751 O ILE A 49 1.117 -3.970 -5.506 1.00 0.00 O ATOM 752 CB ILE A 49 0.055 -6.257 -3.934 1.00 0.00 C ATOM 753 CG1 ILE A 49 -1.118 -7.242 -3.941 1.00 0.00 C ATOM 754 CG2 ILE A 49 0.979 -6.537 -2.759 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.931 -8.395 -4.902 1.00 0.00 C ATOM 0 H ILE A 49 -1.613 -4.990 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.710 -4.559 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 49 0.612 -6.394 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.257 -7.637 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.031 -6.706 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.325 -7.569 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.836 -5.865 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.439 -6.378 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.799 -9.053 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.822 -8.010 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.037 -8.955 -4.629 1.00 0.00 H new ATOM 767 N ILE A 50 1.124 -2.995 -3.479 1.00 0.00 N ATOM 768 CA ILE A 50 2.191 -2.060 -3.815 1.00 0.00 C ATOM 769 C ILE A 50 3.542 -2.763 -3.840 1.00 0.00 C ATOM 770 O ILE A 50 4.148 -3.006 -2.797 1.00 0.00 O ATOM 771 CB ILE A 50 2.251 -0.885 -2.816 1.00 0.00 C ATOM 772 CG1 ILE A 50 0.836 -0.473 -2.391 1.00 0.00 C ATOM 773 CG2 ILE A 50 2.997 0.292 -3.431 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.791 0.795 -1.571 1.00 0.00 C ATOM 0 H ILE A 50 0.768 -2.906 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 50 1.968 -1.667 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 50 2.793 -1.207 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.223 -0.340 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.389 -1.283 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.032 1.114 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.013 -0.013 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.481 0.618 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.242 1.022 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.376 0.661 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.207 1.619 -2.151 1.00 0.00 H new ATOM 786 N THR A 51 4.006 -3.091 -5.041 1.00 0.00 N ATOM 787 CA THR A 51 5.285 -3.776 -5.209 1.00 0.00 C ATOM 788 C THR A 51 6.363 -2.817 -5.709 1.00 0.00 C ATOM 789 O THR A 51 7.315 -3.228 -6.373 1.00 0.00 O ATOM 790 CB THR A 51 5.132 -4.947 -6.181 1.00 0.00 C ATOM 791 OG1 THR A 51 5.064 -4.483 -7.518 1.00 0.00 O ATOM 792 CG2 THR A 51 3.899 -5.784 -5.922 1.00 0.00 C ATOM 0 H THR A 51 3.516 -2.894 -5.914 1.00 0.00 H new ATOM 0 HA THR A 51 5.595 -4.156 -4.236 1.00 0.00 H new ATOM 0 HB THR A 51 6.013 -5.570 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.968 -5.247 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.852 -6.597 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.945 -6.198 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.010 -5.161 -6.017 1.00 0.00 H new ATOM 800 N LYS A 52 6.207 -1.541 -5.378 1.00 0.00 N ATOM 801 CA LYS A 52 7.162 -0.516 -5.780 1.00 0.00 C ATOM 802 C LYS A 52 6.822 0.809 -5.112 1.00 0.00 C ATOM 803 O LYS A 52 5.653 1.179 -5.008 1.00 0.00 O ATOM 804 CB LYS A 52 7.172 -0.353 -7.303 1.00 0.00 C ATOM 805 CG LYS A 52 8.486 -0.764 -7.949 1.00 0.00 C ATOM 806 CD LYS A 52 8.955 0.263 -8.967 1.00 0.00 C ATOM 807 CE LYS A 52 10.428 0.088 -9.296 1.00 0.00 C ATOM 808 NZ LYS A 52 10.794 0.758 -10.574 1.00 0.00 N ATOM 0 H LYS A 52 5.423 -1.190 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 52 8.157 -0.828 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.365 -0.949 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.965 0.688 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.247 -0.888 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.365 -1.731 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.364 0.170 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.785 1.267 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.032 0.496 -8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.661 -0.975 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.807 0.616 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.236 0.351 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.595 1.776 -10.501 1.00 0.00 H new ATOM 822 N PHE A 53 7.845 1.512 -4.645 1.00 0.00 N ATOM 823 CA PHE A 53 7.642 2.784 -3.971 1.00 0.00 C ATOM 824 C PHE A 53 8.833 3.714 -4.176 1.00 0.00 C ATOM 825 O PHE A 53 9.929 3.456 -3.681 1.00 0.00 O ATOM 826 CB PHE A 53 7.403 2.534 -2.480 1.00 0.00 C ATOM 827 CG PHE A 53 7.274 3.781 -1.658 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.398 4.475 -1.248 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.025 4.249 -1.288 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.281 5.617 -0.482 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.902 5.390 -0.522 1.00 0.00 C ATOM 832 CZ PHE A 53 7.029 6.074 -0.118 1.00 0.00 C ATOM 0 H PHE A 53 8.820 1.223 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 53 6.768 3.274 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.496 1.941 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.226 1.937 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.378 4.119 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.139 3.717 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.165 6.152 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.923 5.747 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.933 6.966 0.483 1.00 0.00 H new ATOM 842 N ASN A 54 8.609 4.795 -4.917 1.00 0.00 N ATOM 843 CA ASN A 54 9.660 5.767 -5.197 1.00 0.00 C ATOM 844 C ASN A 54 10.869 5.090 -5.837 1.00 0.00 C ATOM 845 O ASN A 54 12.002 5.261 -5.387 1.00 0.00 O ATOM 846 CB ASN A 54 10.075 6.486 -3.911 1.00 0.00 C ATOM 847 CG ASN A 54 9.343 7.800 -3.722 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.759 8.837 -4.237 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.245 7.762 -2.976 1.00 0.00 N ATOM 0 H ASN A 54 7.706 5.020 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 54 9.267 6.501 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.880 5.838 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.149 6.671 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.711 8.615 -2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.936 6.880 -2.568 1.00 0.00 H new ATOM 856 N GLY A 55 10.618 4.317 -6.889 1.00 0.00 N ATOM 857 CA GLY A 55 11.694 3.622 -7.569 1.00 0.00 C ATOM 858 C GLY A 55 12.376 2.602 -6.678 1.00 0.00 C ATOM 859 O GLY A 55 13.517 2.212 -6.931 1.00 0.00 O ATOM 0 H GLY A 55 9.690 4.160 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.299 3.122 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.430 4.348 -7.916 1.00 0.00 H new ATOM 863 N ASP A 56 11.675 2.167 -5.635 1.00 0.00 N ATOM 864 CA ASP A 56 12.218 1.185 -4.706 1.00 0.00 C ATOM 865 C ASP A 56 11.295 -0.025 -4.605 1.00 0.00 C ATOM 866 O ASP A 56 10.270 0.020 -3.925 1.00 0.00 O ATOM 867 CB ASP A 56 12.411 1.811 -3.322 1.00 0.00 C ATOM 868 CG ASP A 56 13.401 1.040 -2.472 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.641 -0.149 -2.770 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.937 1.626 -1.508 1.00 0.00 O ATOM 0 H ASP A 56 10.730 2.480 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 56 13.186 0.856 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.757 2.838 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.451 1.853 -2.808 1.00 0.00 H new ATOM 875 N ALA A 57 11.662 -1.101 -5.292 1.00 0.00 N ATOM 876 CA ALA A 57 10.864 -2.322 -5.284 1.00 0.00 C ATOM 877 C ALA A 57 10.565 -2.781 -3.861 1.00 0.00 C ATOM 878 O ALA A 57 11.478 -3.047 -3.079 1.00 0.00 O ATOM 879 CB ALA A 57 11.578 -3.421 -6.055 1.00 0.00 C ATOM 0 H ALA A 57 12.507 -1.153 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 57 9.913 -2.106 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.972 -4.327 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.731 -3.102 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.543 -3.623 -5.591 1.00 0.00 H new ATOM 885 N LEU A 58 9.280 -2.876 -3.535 1.00 0.00 N ATOM 886 CA LEU A 58 8.857 -3.310 -2.208 1.00 0.00 C ATOM 887 C LEU A 58 8.629 -4.822 -2.175 1.00 0.00 C ATOM 888 O LEU A 58 7.953 -5.334 -1.283 1.00 0.00 O ATOM 889 CB LEU A 58 7.575 -2.578 -1.796 1.00 0.00 C ATOM 890 CG LEU A 58 7.644 -1.051 -1.862 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.248 -0.450 -1.941 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.390 -0.498 -0.659 1.00 0.00 C ATOM 0 H LEU A 58 8.513 -2.658 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 58 9.651 -3.066 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.761 -2.917 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.321 -2.870 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 58 8.188 -0.775 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.322 0.637 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.744 -0.818 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.677 -0.738 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.429 0.589 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.873 -0.789 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.404 -0.897 -0.645 1.00 0.00 H new ATOM 904 N GLU A 59 9.193 -5.529 -3.152 1.00 0.00 N ATOM 905 CA GLU A 59 9.041 -6.977 -3.234 1.00 0.00 C ATOM 906 C GLU A 59 10.043 -7.694 -2.336 1.00 0.00 C ATOM 907 O GLU A 59 11.249 -7.470 -2.428 1.00 0.00 O ATOM 908 CB GLU A 59 9.212 -7.446 -4.680 1.00 0.00 C ATOM 909 CG GLU A 59 8.798 -8.891 -4.903 1.00 0.00 C ATOM 910 CD GLU A 59 9.689 -9.605 -5.902 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.518 -9.376 -7.118 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.556 -10.391 -5.468 1.00 0.00 O ATOM 0 H GLU A 59 9.759 -5.122 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 59 8.037 -7.225 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.623 -6.803 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.256 -7.327 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.825 -9.424 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.767 -8.920 -5.256 1.00 0.00 H new ATOM 919 N GLY A 60 9.529 -8.564 -1.471 1.00 0.00 N ATOM 920 CA GLY A 60 10.384 -9.312 -0.571 1.00 0.00 C ATOM 921 C GLY A 60 10.606 -8.612 0.758 1.00 0.00 C ATOM 922 O GLY A 60 10.994 -9.244 1.741 1.00 0.00 O ATOM 0 H GLY A 60 8.533 -8.763 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.942 -10.292 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.348 -9.481 -1.051 1.00 0.00 H new ATOM 926 N LEU A 61 10.366 -7.304 0.790 1.00 0.00 N ATOM 927 CA LEU A 61 10.549 -6.526 2.010 1.00 0.00 C ATOM 928 C LEU A 61 9.344 -6.666 2.940 1.00 0.00 C ATOM 929 O LEU A 61 8.201 -6.686 2.484 1.00 0.00 O ATOM 930 CB LEU A 61 10.775 -5.052 1.669 1.00 0.00 C ATOM 931 CG LEU A 61 12.026 -4.762 0.839 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.860 -3.470 0.056 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.254 -4.691 1.734 1.00 0.00 C ATOM 0 H LEU A 61 10.045 -6.763 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 61 11.427 -6.914 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.905 -4.683 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.835 -4.485 2.598 1.00 0.00 H new ATOM 0 HG LEU A 61 12.164 -5.577 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.760 -3.280 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.004 -3.558 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.696 -2.644 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.135 -4.484 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.124 -3.896 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.384 -5.643 2.250 1.00 0.00 H new ATOM 945 N PRO A 62 9.582 -6.760 4.262 1.00 0.00 N ATOM 946 CA PRO A 62 8.506 -6.895 5.253 1.00 0.00 C ATOM 947 C PRO A 62 7.522 -5.731 5.196 1.00 0.00 C ATOM 948 O PRO A 62 7.406 -5.053 4.175 1.00 0.00 O ATOM 949 CB PRO A 62 9.246 -6.897 6.596 1.00 0.00 C ATOM 950 CG PRO A 62 10.644 -7.292 6.267 1.00 0.00 C ATOM 951 CD PRO A 62 10.914 -6.744 4.896 1.00 0.00 C ATOM 0 HA PRO A 62 7.908 -7.790 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.214 -5.914 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.792 -7.599 7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.346 -6.886 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.758 -8.376 6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.328 -5.737 4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.628 -7.359 4.349 1.00 0.00 H new ATOM 959 N PHE A 63 6.815 -5.500 6.299 1.00 0.00 N ATOM 960 CA PHE A 63 5.846 -4.413 6.372 1.00 0.00 C ATOM 961 C PHE A 63 6.392 -3.248 7.188 1.00 0.00 C ATOM 962 O PHE A 63 5.961 -2.109 7.024 1.00 0.00 O ATOM 963 CB PHE A 63 4.531 -4.899 6.981 1.00 0.00 C ATOM 964 CG PHE A 63 3.373 -3.986 6.700 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.658 -4.098 5.520 1.00 0.00 C ATOM 966 CD2 PHE A 63 3.000 -3.013 7.616 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.592 -3.260 5.256 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.934 -2.171 7.357 1.00 0.00 C ATOM 969 CZ PHE A 63 1.229 -2.294 6.176 1.00 0.00 C ATOM 0 H PHE A 63 6.896 -6.051 7.153 1.00 0.00 H new ATOM 0 HA PHE A 63 5.659 -4.069 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.304 -5.892 6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.653 -4.998 8.060 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.937 -4.850 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.548 -2.912 8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.043 -3.359 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.653 -1.418 8.078 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.396 -1.637 5.972 1.00 0.00 H new ATOM 979 N GLN A 64 7.348 -3.537 8.067 1.00 0.00 N ATOM 980 CA GLN A 64 7.954 -2.504 8.899 1.00 0.00 C ATOM 981 C GLN A 64 8.541 -1.400 8.030 1.00 0.00 C ATOM 982 O GLN A 64 8.292 -0.215 8.254 1.00 0.00 O ATOM 983 CB GLN A 64 9.046 -3.104 9.786 1.00 0.00 C ATOM 984 CG GLN A 64 8.589 -4.313 10.585 1.00 0.00 C ATOM 985 CD GLN A 64 7.472 -3.983 11.557 1.00 0.00 C ATOM 986 OE1 GLN A 64 7.671 -3.239 12.518 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.291 -4.536 11.311 1.00 0.00 N ATOM 0 H GLN A 64 7.718 -4.475 8.221 1.00 0.00 H new ATOM 0 HA GLN A 64 7.178 -2.078 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.892 -3.391 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.404 -2.339 10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.251 -5.090 9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.436 -4.721 11.136 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.172 -5.146 10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.502 -4.351 11.930 1.00 0.00 H new ATOM 996 N VAL A 65 9.317 -1.804 7.030 1.00 0.00 N ATOM 997 CA VAL A 65 9.940 -0.857 6.115 1.00 0.00 C ATOM 998 C VAL A 65 8.901 -0.232 5.190 1.00 0.00 C ATOM 999 O VAL A 65 8.891 0.981 4.982 1.00 0.00 O ATOM 1000 CB VAL A 65 11.034 -1.532 5.266 1.00 0.00 C ATOM 1001 CG1 VAL A 65 12.185 -1.992 6.147 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.458 -2.699 4.478 1.00 0.00 C ATOM 0 H VAL A 65 9.529 -2.782 6.833 1.00 0.00 H new ATOM 0 HA VAL A 65 10.398 -0.077 6.724 1.00 0.00 H new ATOM 0 HB VAL A 65 11.419 -0.800 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.948 -2.466 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.616 -1.133 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.817 -2.707 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.247 -3.162 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.043 -3.434 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.671 -2.338 3.816 1.00 0.00 H new ATOM 1012 N CYS A 66 8.024 -1.069 4.640 1.00 0.00 N ATOM 1013 CA CYS A 66 6.976 -0.597 3.738 1.00 0.00 C ATOM 1014 C CYS A 66 6.144 0.496 4.401 1.00 0.00 C ATOM 1015 O CYS A 66 5.961 1.576 3.840 1.00 0.00 O ATOM 1016 CB CYS A 66 6.073 -1.758 3.322 1.00 0.00 C ATOM 1017 SG CYS A 66 6.866 -2.949 2.215 1.00 0.00 S ATOM 0 H CYS A 66 8.018 -2.076 4.803 1.00 0.00 H new ATOM 0 HA CYS A 66 7.453 -0.181 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.734 -2.280 4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.186 -1.357 2.832 1.00 0.00 H new ATOM 0 HG CYS A 66 7.377 -3.918 2.915 1.00 0.00 H new ATOM 1023 N TYR A 67 5.652 0.210 5.598 1.00 0.00 N ATOM 1024 CA TYR A 67 4.850 1.171 6.340 1.00 0.00 C ATOM 1025 C TYR A 67 5.696 2.373 6.754 1.00 0.00 C ATOM 1026 O TYR A 67 5.192 3.488 6.879 1.00 0.00 O ATOM 1027 CB TYR A 67 4.239 0.519 7.581 1.00 0.00 C ATOM 1028 CG TYR A 67 3.024 1.255 8.099 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.833 1.253 7.383 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.069 1.955 9.296 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.722 1.929 7.847 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.960 2.633 9.767 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.790 2.616 9.039 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.315 3.291 9.505 1.00 0.00 O ATOM 0 H TYR A 67 5.794 -0.680 6.076 1.00 0.00 H new ATOM 0 HA TYR A 67 4.046 1.512 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.961 -0.508 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.992 0.473 8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.775 0.714 6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.985 1.971 9.869 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.196 1.919 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.010 3.173 10.701 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.900 2.669 9.985 1.00 0.00 H new ATOM 1044 N ALA A 68 6.987 2.129 6.978 1.00 0.00 N ATOM 1045 CA ALA A 68 7.909 3.180 7.397 1.00 0.00 C ATOM 1046 C ALA A 68 8.122 4.230 6.308 1.00 0.00 C ATOM 1047 O ALA A 68 7.993 5.428 6.563 1.00 0.00 O ATOM 1048 CB ALA A 68 9.243 2.568 7.792 1.00 0.00 C ATOM 0 H ALA A 68 7.417 1.210 6.876 1.00 0.00 H new ATOM 0 HA ALA A 68 7.463 3.684 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.927 3.357 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.094 1.871 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.666 2.037 6.940 1.00 0.00 H new ATOM 1054 N LEU A 69 8.448 3.786 5.097 1.00 0.00 N ATOM 1055 CA LEU A 69 8.672 4.714 3.993 1.00 0.00 C ATOM 1056 C LEU A 69 7.371 5.405 3.616 1.00 0.00 C ATOM 1057 O LEU A 69 7.345 6.611 3.369 1.00 0.00 O ATOM 1058 CB LEU A 69 9.260 3.995 2.776 1.00 0.00 C ATOM 1059 CG LEU A 69 8.606 2.656 2.433 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.884 2.736 1.096 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.645 1.544 2.412 1.00 0.00 C ATOM 0 H LEU A 69 8.562 2.801 4.857 1.00 0.00 H new ATOM 0 HA LEU A 69 9.391 5.463 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.179 4.653 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.323 3.828 2.951 1.00 0.00 H new ATOM 0 HG LEU A 69 7.871 2.428 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.426 1.773 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.111 3.503 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.597 2.990 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.161 0.599 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.404 1.769 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.115 1.467 3.392 1.00 0.00 H new ATOM 1073 N PHE A 70 6.288 4.639 3.594 1.00 0.00 N ATOM 1074 CA PHE A 70 4.980 5.186 3.270 1.00 0.00 C ATOM 1075 C PHE A 70 4.587 6.226 4.311 1.00 0.00 C ATOM 1076 O PHE A 70 3.930 7.215 4.001 1.00 0.00 O ATOM 1077 CB PHE A 70 3.928 4.075 3.213 1.00 0.00 C ATOM 1078 CG PHE A 70 3.636 3.590 1.822 1.00 0.00 C ATOM 1079 CD1 PHE A 70 4.368 2.551 1.270 1.00 0.00 C ATOM 1080 CD2 PHE A 70 2.630 4.171 1.068 1.00 0.00 C ATOM 1081 CE1 PHE A 70 4.100 2.101 -0.009 1.00 0.00 C ATOM 1082 CE2 PHE A 70 2.358 3.724 -0.211 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.095 2.688 -0.750 1.00 0.00 C ATOM 0 H PHE A 70 6.291 3.639 3.796 1.00 0.00 H new ATOM 0 HA PHE A 70 5.032 5.659 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.268 3.234 3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.004 4.438 3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.156 2.088 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.052 4.983 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.677 1.290 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.570 4.184 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.885 2.338 -1.750 1.00 0.00 H new ATOM 1093 N LYS A 71 5.009 5.992 5.552 1.00 0.00 N ATOM 1094 CA LYS A 71 4.719 6.908 6.649 1.00 0.00 C ATOM 1095 C LYS A 71 5.674 8.094 6.616 1.00 0.00 C ATOM 1096 O LYS A 71 5.295 9.222 6.932 1.00 0.00 O ATOM 1097 CB LYS A 71 4.836 6.186 7.991 1.00 0.00 C ATOM 1098 CG LYS A 71 3.542 5.535 8.450 1.00 0.00 C ATOM 1099 CD LYS A 71 3.466 5.462 9.966 1.00 0.00 C ATOM 1100 CE LYS A 71 4.602 4.632 10.541 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.203 3.939 11.797 1.00 0.00 N ATOM 0 H LYS A 71 5.554 5.173 5.822 1.00 0.00 H new ATOM 0 HA LYS A 71 3.698 7.272 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.610 5.422 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.163 6.898 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.693 6.101 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.470 4.531 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.503 6.469 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.511 5.029 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.921 3.894 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.459 5.276 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.049 3.748 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.549 4.543 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.733 3.041 11.564 1.00 0.00 H new ATOM 1115 N GLY A 72 6.918 7.828 6.225 1.00 0.00 N ATOM 1116 CA GLY A 72 7.915 8.880 6.148 1.00 0.00 C ATOM 1117 C GLY A 72 7.864 9.636 4.832 1.00 0.00 C ATOM 1118 O GLY A 72 8.729 10.464 4.555 1.00 0.00 O ATOM 0 H GLY A 72 7.253 6.902 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.765 9.579 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.907 8.446 6.276 1.00 0.00 H new ATOM 1122 N ALA A 73 6.847 9.352 4.024 1.00 0.00 N ATOM 1123 CA ALA A 73 6.683 10.012 2.738 1.00 0.00 C ATOM 1124 C ALA A 73 6.261 11.466 2.925 1.00 0.00 C ATOM 1125 O ALA A 73 5.466 11.782 3.810 1.00 0.00 O ATOM 1126 CB ALA A 73 5.656 9.272 1.900 1.00 0.00 C ATOM 0 H ALA A 73 6.123 8.667 4.240 1.00 0.00 H new ATOM 0 HA ALA A 73 7.642 9.998 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.540 9.774 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.990 8.247 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.699 9.263 2.422 1.00 0.00 H new ATOM 1132 N ASN A 74 6.796 12.346 2.089 1.00 0.00 N ATOM 1133 CA ASN A 74 6.470 13.766 2.160 1.00 0.00 C ATOM 1134 C ASN A 74 7.129 14.527 1.017 1.00 0.00 C ATOM 1135 O ASN A 74 8.315 14.856 1.072 1.00 0.00 O ATOM 1136 CB ASN A 74 6.900 14.357 3.503 1.00 0.00 C ATOM 1137 CG ASN A 74 8.381 14.184 3.767 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.171 15.108 3.574 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.760 12.996 4.210 1.00 0.00 N ATOM 0 H ASN A 74 7.458 12.102 1.353 1.00 0.00 H new ATOM 0 HA ASN A 74 5.389 13.867 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.652 15.418 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.334 13.881 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.744 12.815 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.068 12.261 4.355 1.00 0.00 H new ATOM 1146 N GLY A 75 6.350 14.792 -0.023 1.00 0.00 N ATOM 1147 CA GLY A 75 6.861 15.501 -1.182 1.00 0.00 C ATOM 1148 C GLY A 75 6.803 14.650 -2.433 1.00 0.00 C ATOM 1149 O GLY A 75 7.826 14.146 -2.897 1.00 0.00 O ATOM 0 H GLY A 75 5.367 14.527 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.282 16.412 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.891 15.805 -0.997 1.00 0.00 H new ATOM 1153 N LYS A 76 5.601 14.481 -2.974 1.00 0.00 N ATOM 1154 CA LYS A 76 5.405 13.673 -4.169 1.00 0.00 C ATOM 1155 C LYS A 76 5.784 12.221 -3.888 1.00 0.00 C ATOM 1156 O LYS A 76 6.915 11.927 -3.505 1.00 0.00 O ATOM 1157 CB LYS A 76 6.233 14.228 -5.325 1.00 0.00 C ATOM 1158 CG LYS A 76 5.537 14.124 -6.674 1.00 0.00 C ATOM 1159 CD LYS A 76 5.157 15.494 -7.218 1.00 0.00 C ATOM 1160 CE LYS A 76 3.720 15.519 -7.717 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.624 16.046 -9.106 1.00 0.00 N ATOM 0 H LYS A 76 4.746 14.895 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 76 4.353 13.710 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.467 15.274 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.181 13.693 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.193 13.620 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.642 13.510 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.285 16.244 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.830 15.763 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.306 14.511 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.115 16.136 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.629 16.047 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.996 17.017 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.180 15.443 -9.745 1.00 0.00 H new ATOM 1175 N VAL A 77 4.824 11.320 -4.064 1.00 0.00 N ATOM 1176 CA VAL A 77 5.045 9.900 -3.811 1.00 0.00 C ATOM 1177 C VAL A 77 4.542 9.035 -4.959 1.00 0.00 C ATOM 1178 O VAL A 77 3.337 8.873 -5.138 1.00 0.00 O ATOM 1179 CB VAL A 77 4.337 9.450 -2.520 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.290 9.516 -1.341 1.00 0.00 C ATOM 1181 CG2 VAL A 77 3.097 10.286 -2.260 1.00 0.00 C ATOM 0 H VAL A 77 3.882 11.548 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 77 6.123 9.771 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 77 4.021 8.415 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.773 9.195 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.142 8.861 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.641 10.540 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.616 9.948 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.380 11.334 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.404 10.178 -3.094 1.00 0.00 H new ATOM 1191 N SER A 78 5.469 8.468 -5.723 1.00 0.00 N ATOM 1192 CA SER A 78 5.111 7.606 -6.842 1.00 0.00 C ATOM 1193 C SER A 78 5.235 6.139 -6.446 1.00 0.00 C ATOM 1194 O SER A 78 6.336 5.642 -6.208 1.00 0.00 O ATOM 1195 CB SER A 78 6.003 7.903 -8.047 1.00 0.00 C ATOM 1196 OG SER A 78 5.477 7.325 -9.229 1.00 0.00 O ATOM 0 H SER A 78 6.473 8.590 -5.588 1.00 0.00 H new ATOM 0 HA SER A 78 4.075 7.807 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.096 8.981 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.006 7.516 -7.865 1.00 0.00 H new ATOM 0 HG SER A 78 6.066 7.532 -9.984 1.00 0.00 H new ATOM 1202 N MET A 79 4.099 5.452 -6.364 1.00 0.00 N ATOM 1203 CA MET A 79 4.081 4.045 -5.984 1.00 0.00 C ATOM 1204 C MET A 79 3.523 3.174 -7.103 1.00 0.00 C ATOM 1205 O MET A 79 2.438 3.435 -7.622 1.00 0.00 O ATOM 1206 CB MET A 79 3.247 3.836 -4.710 1.00 0.00 C ATOM 1207 CG MET A 79 3.022 5.100 -3.893 1.00 0.00 C ATOM 1208 SD MET A 79 1.441 5.886 -4.252 1.00 0.00 S ATOM 1209 CE MET A 79 0.737 5.988 -2.608 1.00 0.00 C ATOM 0 H MET A 79 3.179 5.848 -6.556 1.00 0.00 H new ATOM 0 HA MET A 79 5.112 3.748 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.279 3.420 -4.988 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.743 3.096 -4.083 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.069 4.855 -2.832 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.828 5.806 -4.093 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.107 6.678 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.396 5.001 -2.296 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.493 6.347 -1.910 1.00 0.00 H new ATOM 1219 N GLU A 80 4.260 2.125 -7.458 1.00 0.00 N ATOM 1220 CA GLU A 80 3.818 1.208 -8.500 1.00 0.00 C ATOM 1221 C GLU A 80 3.015 0.070 -7.883 1.00 0.00 C ATOM 1222 O GLU A 80 3.573 -0.831 -7.256 1.00 0.00 O ATOM 1223 CB GLU A 80 5.007 0.654 -9.290 1.00 0.00 C ATOM 1224 CG GLU A 80 4.878 0.843 -10.794 1.00 0.00 C ATOM 1225 CD GLU A 80 6.158 1.344 -11.431 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.863 2.152 -10.791 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.458 0.927 -12.570 1.00 0.00 O ATOM 0 H GLU A 80 5.161 1.891 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 80 3.183 1.759 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.920 1.142 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.113 -0.409 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.595 -0.105 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.074 1.549 -11.000 1.00 0.00 H new ATOM 1234 N VAL A 81 1.700 0.128 -8.052 1.00 0.00 N ATOM 1235 CA VAL A 81 0.808 -0.884 -7.499 1.00 0.00 C ATOM 1236 C VAL A 81 0.484 -1.967 -8.516 1.00 0.00 C ATOM 1237 O VAL A 81 0.328 -1.692 -9.706 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.510 -0.269 -6.997 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.333 0.322 -5.608 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.018 0.777 -7.972 1.00 0.00 C ATOM 0 H VAL A 81 1.226 0.868 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 81 1.341 -1.328 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.256 -1.061 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.277 0.751 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.024 -0.461 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.429 1.100 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.951 1.200 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.276 1.569 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.192 0.315 -8.944 1.00 0.00 H new ATOM 1250 N THR A 82 0.379 -3.200 -8.033 1.00 0.00 N ATOM 1251 CA THR A 82 0.067 -4.335 -8.888 1.00 0.00 C ATOM 1252 C THR A 82 -1.355 -4.819 -8.623 1.00 0.00 C ATOM 1253 O THR A 82 -1.734 -5.061 -7.478 1.00 0.00 O ATOM 1254 CB THR A 82 1.065 -5.469 -8.640 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.375 -5.072 -9.003 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.743 -6.736 -9.403 1.00 0.00 C ATOM 0 H THR A 82 0.506 -3.438 -7.049 1.00 0.00 H new ATOM 0 HA THR A 82 0.141 -4.022 -9.929 1.00 0.00 H new ATOM 0 HB THR A 82 0.995 -5.682 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.820 -4.666 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.492 -7.496 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.242 -7.098 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.747 -6.527 -10.473 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.141 -4.942 -9.688 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.526 -5.382 -9.572 1.00 0.00 C ATOM 1266 C ARG A 83 -3.704 -6.799 -10.110 1.00 0.00 C ATOM 1267 O ARG A 83 -3.890 -6.997 -11.311 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.446 -4.421 -10.328 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.711 -4.061 -9.568 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.155 -2.638 -9.871 1.00 0.00 C ATOM 1271 NE ARG A 83 -7.349 -2.604 -10.713 1.00 0.00 N ATOM 1272 CZ ARG A 83 -7.327 -2.742 -12.037 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -6.177 -2.929 -12.674 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -8.458 -2.693 -12.727 1.00 0.00 N ATOM 0 H ARG A 83 -1.841 -4.743 -10.642 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.791 -5.384 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.896 -3.507 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.721 -4.871 -11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.507 -4.756 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.537 -4.169 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.356 -2.114 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.345 -2.104 -10.368 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.252 -2.466 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.303 -2.968 -12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.167 -3.034 -13.689 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.345 -2.550 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.442 -2.799 -13.741 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.657 -7.809 -9.226 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.822 -9.210 -9.622 1.00 0.00 C ATOM 1290 C PRO A 84 -5.107 -9.437 -10.409 1.00 0.00 C ATOM 1291 O PRO A 84 -5.829 -8.491 -10.726 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.876 -9.957 -8.287 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.176 -9.071 -7.319 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.443 -7.665 -7.774 1.00 0.00 C ATOM 0 HA PRO A 84 -3.019 -9.545 -10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.905 -10.141 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.386 -10.928 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.547 -9.230 -6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.106 -9.279 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.317 -7.242 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.603 -7.006 -7.555 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.389 -10.698 -10.718 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.590 -11.050 -11.466 1.00 0.00 C ATOM 1304 C LYS A 85 -7.792 -11.188 -10.533 1.00 0.00 C ATOM 1305 O LYS A 85 -7.632 -11.392 -9.328 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.375 -12.355 -12.233 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.681 -12.167 -13.573 1.00 0.00 C ATOM 1308 CD LYS A 85 -4.980 -13.439 -14.021 1.00 0.00 C ATOM 1309 CE LYS A 85 -4.442 -13.309 -15.436 1.00 0.00 C ATOM 1310 NZ LYS A 85 -5.480 -13.625 -16.456 1.00 0.00 N ATOM 0 H LYS A 85 -4.803 -11.493 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.793 -10.248 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.783 -13.034 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.341 -12.833 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.413 -11.870 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.955 -11.358 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.161 -13.664 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.676 -14.276 -13.971 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.075 -12.295 -15.593 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.592 -13.979 -15.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.073 -13.525 -17.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.812 -14.602 -16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.281 -12.970 -16.351 1.00 0.00 H new ATOM 1324 N PRO A 86 -9.015 -11.078 -11.078 1.00 0.00 N ATOM 1325 CA PRO A 86 -10.246 -11.191 -10.288 1.00 0.00 C ATOM 1326 C PRO A 86 -10.481 -12.611 -9.783 1.00 0.00 C ATOM 1327 O PRO A 86 -9.683 -13.513 -10.044 1.00 0.00 O ATOM 1328 CB PRO A 86 -11.342 -10.786 -11.274 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.774 -11.084 -12.618 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.296 -10.836 -12.506 1.00 0.00 C ATOM 0 HA PRO A 86 -10.213 -10.572 -9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.259 -11.348 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.592 -9.730 -11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.976 -12.115 -12.907 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.220 -10.446 -13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.726 -11.509 -13.147 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.036 -9.819 -12.800 1.00 0.00 H new ATOM 1338 N GLY A 87 -11.580 -12.803 -9.061 1.00 0.00 N ATOM 1339 CA GLY A 87 -11.898 -14.115 -8.532 1.00 0.00 C ATOM 1340 C GLY A 87 -12.609 -14.046 -7.193 1.00 0.00 C ATOM 1341 O GLY A 87 -13.548 -13.268 -7.021 1.00 0.00 O ATOM 0 H GLY A 87 -12.255 -12.073 -8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.526 -14.648 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.979 -14.691 -8.422 1.00 0.00 H new ATOM 1345 N SER A 88 -12.159 -14.860 -6.244 1.00 0.00 N ATOM 1346 CA SER A 88 -12.757 -14.887 -4.914 1.00 0.00 C ATOM 1347 C SER A 88 -11.787 -15.475 -3.893 1.00 0.00 C ATOM 1348 O SER A 88 -10.716 -15.967 -4.253 1.00 0.00 O ATOM 1349 CB SER A 88 -14.051 -15.700 -4.931 1.00 0.00 C ATOM 1350 OG SER A 88 -13.994 -16.732 -5.901 1.00 0.00 O ATOM 0 H SER A 88 -11.383 -15.509 -6.371 1.00 0.00 H new ATOM 0 HA SER A 88 -12.984 -13.861 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.225 -16.132 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.894 -15.043 -5.144 1.00 0.00 H new ATOM 0 HG SER A 88 -14.833 -17.238 -5.890 1.00 0.00 H new ATOM 1356 N GLY A 89 -12.167 -15.420 -2.622 1.00 0.00 N ATOM 1357 CA GLY A 89 -11.319 -15.951 -1.571 1.00 0.00 C ATOM 1358 C GLY A 89 -12.116 -16.529 -0.419 1.00 0.00 C ATOM 1359 O GLY A 89 -11.832 -17.632 0.048 1.00 0.00 O ATOM 0 H GLY A 89 -13.047 -15.017 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.673 -16.725 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.669 -15.159 -1.198 1.00 0.00 H new ATOM 1363 N GLY A 90 -13.116 -15.784 0.041 1.00 0.00 N ATOM 1364 CA GLY A 90 -13.939 -16.246 1.143 1.00 0.00 C ATOM 1365 C GLY A 90 -15.202 -15.426 1.307 1.00 0.00 C ATOM 1366 O GLY A 90 -16.240 -15.746 0.725 1.00 0.00 O ATOM 0 H GLY A 90 -13.371 -14.869 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.206 -17.290 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.361 -16.205 2.066 1.00 0.00 H new ATOM 1370 N SER A 91 -15.117 -14.365 2.102 1.00 0.00 N ATOM 1371 CA SER A 91 -16.263 -13.495 2.343 1.00 0.00 C ATOM 1372 C SER A 91 -16.183 -12.237 1.486 1.00 0.00 C ATOM 1373 O SER A 91 -17.204 -11.677 1.087 1.00 0.00 O ATOM 1374 CB SER A 91 -16.340 -13.114 3.822 1.00 0.00 C ATOM 1375 OG SER A 91 -15.134 -12.508 4.256 1.00 0.00 O ATOM 0 H SER A 91 -14.266 -14.086 2.591 1.00 0.00 H new ATOM 0 HA SER A 91 -17.165 -14.042 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.173 -12.429 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.540 -14.003 4.420 1.00 0.00 H new ATOM 0 HG SER A 91 -15.209 -12.272 5.204 1.00 0.00 H new ATOM 1381 N GLY A 92 -14.959 -11.794 1.206 1.00 0.00 N ATOM 1382 CA GLY A 92 -14.768 -10.604 0.398 1.00 0.00 C ATOM 1383 C GLY A 92 -14.050 -9.500 1.150 1.00 0.00 C ATOM 1384 O GLY A 92 -14.299 -9.287 2.337 1.00 0.00 O ATOM 0 H GLY A 92 -14.098 -12.238 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.197 -10.862 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.738 -10.238 0.061 1.00 0.00 H new ATOM 1388 N SER A 93 -13.158 -8.799 0.459 1.00 0.00 N ATOM 1389 CA SER A 93 -12.403 -7.711 1.070 1.00 0.00 C ATOM 1390 C SER A 93 -11.561 -8.219 2.236 1.00 0.00 C ATOM 1391 O SER A 93 -11.685 -9.374 2.647 1.00 0.00 O ATOM 1392 CB SER A 93 -13.350 -6.610 1.551 1.00 0.00 C ATOM 1393 OG SER A 93 -13.663 -5.711 0.501 1.00 0.00 O ATOM 0 H SER A 93 -12.940 -8.964 -0.524 1.00 0.00 H new ATOM 0 HA SER A 93 -11.734 -7.300 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.266 -7.057 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.890 -6.065 2.375 1.00 0.00 H new ATOM 0 HG SER A 93 -14.271 -5.018 0.834 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.705 -7.352 2.763 1.00 0.00 N ATOM 1400 CA LEU A 94 -9.841 -7.713 3.882 1.00 0.00 C ATOM 1401 C LEU A 94 -10.514 -7.396 5.215 1.00 0.00 C ATOM 1402 O LEU A 94 -10.254 -8.052 6.224 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.503 -6.976 3.779 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.409 -7.725 3.018 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -7.453 -7.373 1.538 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -6.041 -7.408 3.602 1.00 0.00 C ATOM 0 H LEU A 94 -10.590 -6.393 2.434 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.659 -8.787 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.671 -6.016 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.144 -6.764 4.786 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.587 -8.795 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.667 -7.915 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.424 -7.650 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.300 -6.301 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.274 -7.950 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.853 -6.337 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.014 -7.710 4.649 1.00 0.00 H new ATOM 1418 N VAL A 95 -11.378 -6.385 5.214 1.00 0.00 N ATOM 1419 CA VAL A 95 -12.085 -5.984 6.425 1.00 0.00 C ATOM 1420 C VAL A 95 -13.343 -6.829 6.633 1.00 0.00 C ATOM 1421 O VAL A 95 -14.063 -7.127 5.681 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.476 -4.494 6.378 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -13.466 -4.228 5.252 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.045 -4.047 7.716 1.00 0.00 C ATOM 0 H VAL A 95 -11.605 -5.830 4.389 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.403 -6.145 7.260 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.576 -3.912 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -13.727 -3.170 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.015 -4.502 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.366 -4.822 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.315 -2.992 7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.931 -4.637 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.297 -4.191 8.496 1.00 0.00 H new ATOM 1434 N PRO A 96 -13.620 -7.234 7.886 1.00 0.00 N ATOM 1435 CA PRO A 96 -14.786 -8.048 8.213 1.00 0.00 C ATOM 1436 C PRO A 96 -16.033 -7.216 8.509 1.00 0.00 C ATOM 1437 O PRO A 96 -16.902 -7.635 9.273 1.00 0.00 O ATOM 1438 CB PRO A 96 -14.337 -8.796 9.464 1.00 0.00 C ATOM 1439 CG PRO A 96 -13.308 -7.923 10.116 1.00 0.00 C ATOM 1440 CD PRO A 96 -12.816 -6.936 9.083 1.00 0.00 C ATOM 0 HA PRO A 96 -15.078 -8.691 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.178 -8.977 10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.918 -9.769 9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.737 -7.399 10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.481 -8.524 10.494 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.961 -5.908 9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.751 -7.061 8.888 1.00 0.00 H new ATOM 1448 N ARG A 97 -16.120 -6.041 7.894 1.00 0.00 N ATOM 1449 CA ARG A 97 -17.265 -5.153 8.084 1.00 0.00 C ATOM 1450 C ARG A 97 -17.520 -4.885 9.566 1.00 0.00 C ATOM 1451 O ARG A 97 -18.644 -5.033 10.051 1.00 0.00 O ATOM 1452 CB ARG A 97 -18.514 -5.758 7.435 1.00 0.00 C ATOM 1453 CG ARG A 97 -18.755 -5.274 6.014 1.00 0.00 C ATOM 1454 CD ARG A 97 -19.292 -3.851 5.996 1.00 0.00 C ATOM 1455 NE ARG A 97 -19.843 -3.490 4.690 1.00 0.00 N ATOM 1456 CZ ARG A 97 -20.978 -3.983 4.204 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -21.685 -4.860 4.908 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -21.407 -3.602 3.009 1.00 0.00 N ATOM 0 H ARG A 97 -15.410 -5.679 7.258 1.00 0.00 H new ATOM 0 HA ARG A 97 -17.036 -4.201 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.421 -6.844 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.384 -5.516 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.824 -5.320 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.462 -5.938 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -20.065 -3.745 6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.492 -3.158 6.256 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.326 -2.821 4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.358 -5.159 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.555 -5.235 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.866 -2.931 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.278 -3.980 2.635 1.00 0.00 H new ATOM 1472 N LEU A 98 -16.475 -4.484 10.280 1.00 0.00 N ATOM 1473 CA LEU A 98 -16.592 -4.192 11.705 1.00 0.00 C ATOM 1474 C LEU A 98 -16.869 -2.708 11.930 1.00 0.00 C ATOM 1475 O LEU A 98 -17.659 -2.338 12.800 1.00 0.00 O ATOM 1476 CB LEU A 98 -15.313 -4.605 12.438 1.00 0.00 C ATOM 1477 CG LEU A 98 -15.346 -6.005 13.056 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -15.860 -7.024 12.050 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -13.962 -6.398 13.554 1.00 0.00 C ATOM 0 H LEU A 98 -15.539 -4.354 9.897 1.00 0.00 H new ATOM 0 HA LEU A 98 -17.429 -4.765 12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.478 -4.552 11.739 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.114 -3.880 13.227 1.00 0.00 H new ATOM 0 HG LEU A 98 -16.029 -5.990 13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.876 -8.013 12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.869 -6.752 11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.204 -7.039 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.002 -7.396 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.261 -6.395 12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.631 -5.685 14.309 1.00 0.00 H new ATOM 1491 N LEU A 99 -16.215 -1.865 11.141 1.00 0.00 N ATOM 1492 CA LEU A 99 -16.389 -0.420 11.249 1.00 0.00 C ATOM 1493 C LEU A 99 -16.105 0.256 9.911 1.00 0.00 C ATOM 1494 O LEU A 99 -15.700 -0.398 8.949 1.00 0.00 O ATOM 1495 CB LEU A 99 -15.465 0.147 12.330 1.00 0.00 C ATOM 1496 CG LEU A 99 -16.057 1.286 13.164 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -17.408 0.887 13.737 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -15.101 1.681 14.279 1.00 0.00 C ATOM 0 H LEU A 99 -15.558 -2.157 10.418 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.423 -0.219 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.179 -0.662 13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.552 0.504 11.854 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.203 2.147 12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -17.811 1.711 14.326 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -18.094 0.654 12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -17.289 0.010 14.373 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.537 2.492 14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.923 0.823 14.927 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.156 2.012 13.848 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.318 1.568 9.854 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.083 2.331 8.632 1.00 0.00 C ATOM 1512 C ARG A 100 -14.718 1.998 8.034 1.00 0.00 C ATOM 1513 O ARG A 100 -14.630 1.365 6.981 1.00 0.00 O ATOM 1514 CB ARG A 100 -16.176 3.832 8.917 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.478 4.242 9.588 1.00 0.00 C ATOM 1516 CD ARG A 100 -17.239 5.222 10.727 1.00 0.00 C ATOM 1517 NE ARG A 100 -17.611 4.657 12.022 1.00 0.00 N ATOM 1518 CZ ARG A 100 -17.274 5.199 13.191 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -16.562 6.317 13.230 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -17.655 4.623 14.322 1.00 0.00 N ATOM 0 H ARG A 100 -16.653 2.125 10.640 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.852 2.057 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.341 4.126 9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -16.071 4.379 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -18.140 4.695 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.985 3.356 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.187 5.508 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.813 6.131 10.550 1.00 0.00 H new ATOM 0 HE ARG A 100 -18.161 3.798 12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -16.270 6.766 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -16.307 6.728 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -18.206 3.765 14.297 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.397 5.038 15.218 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.657 2.422 8.713 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.301 2.162 8.252 1.00 0.00 C ATOM 1536 C ARG A 101 -11.378 1.830 9.422 1.00 0.00 C ATOM 1537 O ARG A 101 -11.080 0.664 9.676 1.00 0.00 O ATOM 1538 CB ARG A 101 -11.766 3.360 7.464 1.00 0.00 C ATOM 1539 CG ARG A 101 -12.636 3.737 6.274 1.00 0.00 C ATOM 1540 CD ARG A 101 -13.367 5.050 6.509 1.00 0.00 C ATOM 1541 NE ARG A 101 -13.768 5.687 5.255 1.00 0.00 N ATOM 1542 CZ ARG A 101 -14.830 5.317 4.544 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -15.596 4.312 4.954 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -15.128 5.952 3.419 1.00 0.00 N ATOM 0 H ARG A 101 -13.712 2.948 9.585 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.327 1.296 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.685 4.218 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.760 3.134 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.016 3.820 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.361 2.945 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.250 4.868 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.723 5.728 7.070 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.201 6.459 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.371 3.819 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.409 4.033 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.543 6.724 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.942 5.669 2.874 1.00 0.00 H new ATOM 1558 N ASN A 102 -10.930 2.860 10.135 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.039 2.676 11.283 1.00 0.00 C ATOM 1560 C ASN A 102 -8.872 1.752 10.931 1.00 0.00 C ATOM 1561 O ASN A 102 -8.324 1.067 11.793 1.00 0.00 O ATOM 1562 CB ASN A 102 -10.819 2.101 12.468 1.00 0.00 C ATOM 1563 CG ASN A 102 -10.320 2.630 13.798 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -10.381 3.831 14.063 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -9.825 1.734 14.644 1.00 0.00 N ATOM 0 H ASN A 102 -11.168 3.832 9.940 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.634 3.650 11.556 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.876 2.344 12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.739 1.014 12.459 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.476 2.031 15.555 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.794 0.749 14.383 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.514 1.737 9.653 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.431 0.898 9.157 1.00 0.00 C ATOM 1574 C GLN A 103 -6.062 1.521 9.404 1.00 0.00 C ATOM 1575 O GLN A 103 -5.950 2.602 9.981 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.619 0.669 7.659 1.00 0.00 C ATOM 1577 CG GLN A 103 -8.890 -0.086 7.325 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.679 -1.587 7.248 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.403 -2.359 7.876 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -7.683 -2.008 6.478 1.00 0.00 N ATOM 0 H GLN A 103 -8.964 2.304 8.934 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.467 -0.047 9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.632 1.633 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.763 0.116 7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.646 0.132 8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.279 0.271 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.107 -1.333 5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.494 -3.006 6.390 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.025 0.830 8.938 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.657 1.309 9.074 1.00 0.00 C ATOM 1591 C TYR A 104 -3.334 2.217 7.896 1.00 0.00 C ATOM 1592 O TYR A 104 -2.986 1.745 6.815 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.682 0.125 9.109 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.476 0.326 10.006 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.572 1.043 11.192 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.240 -0.213 9.663 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.472 1.218 12.011 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.862 -0.044 10.480 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.740 0.674 11.651 1.00 0.00 C ATOM 1600 OH TYR A 104 1.837 0.845 12.466 1.00 0.00 O ATOM 0 H TYR A 104 -5.110 -0.068 8.461 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.556 1.865 10.006 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.221 -0.763 9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.335 -0.073 8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.521 1.471 11.479 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.140 -0.772 8.744 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.563 1.779 12.929 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.814 -0.472 10.203 1.00 0.00 H new ATOM 0 HH TYR A 104 2.452 1.489 12.056 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.477 3.519 8.101 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.230 4.486 7.041 1.00 0.00 C ATOM 1612 C TRP A 105 -1.899 5.205 7.230 1.00 0.00 C ATOM 1613 O TRP A 105 -1.535 5.583 8.343 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.372 5.504 6.991 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.734 4.882 7.105 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.418 4.595 8.253 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.575 4.454 6.031 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.636 4.045 7.954 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.751 3.941 6.598 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.456 4.459 4.644 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.789 3.441 5.824 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.494 3.952 3.889 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.641 3.453 4.485 1.00 0.00 C ATOM 0 H TRP A 105 -3.762 3.929 8.990 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.181 3.942 6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.242 6.224 7.798 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.312 6.060 6.055 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.051 4.776 9.252 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.341 3.760 8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.569 4.852 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.688 3.054 6.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.411 3.944 2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.434 3.065 3.862 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.180 5.392 6.126 1.00 0.00 N ATOM 1635 CA VAL A 106 0.110 6.072 6.157 1.00 0.00 C ATOM 1636 C VAL A 106 -0.025 7.528 5.717 1.00 0.00 C ATOM 1637 O VAL A 106 -0.405 8.367 6.562 1.00 0.00 O ATOM 1638 CB VAL A 106 1.146 5.363 5.262 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.508 4.004 5.842 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.622 5.221 3.838 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.251 7.820 4.533 1.00 0.00 O ATOM 0 H VAL A 106 -1.470 5.082 5.199 1.00 0.00 H new ATOM 0 HA VAL A 106 0.459 6.040 7.189 1.00 0.00 H new ATOM 0 HB VAL A 106 2.048 5.974 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.240 3.517 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.931 4.134 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.613 3.386 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.369 4.718 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.297 4.634 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.418 6.209 3.425 1.00 0.00 H new TER 1651 VAL A 106