USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1042 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0442 (180deg=-0.218) USER MOD Single : A 7 ASN : amide:sc= -8.53! C(o=-8.5!,f=-12!) USER MOD Single : A 12 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.0038) USER MOD Single : A 14 TYR OH : rot -138:sc= -2.15! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 15:sc= -2.22! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -0.136 USER MOD Single : A 44 SER OG : rot 123:sc= -1.9! USER MOD Single : A 54 TYR OH : rot -115:sc= -2.18! USER MOD Single : A 57 ASN : amide:sc= -0.931 K(o=-0.93,f=-2.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= -1.13 (180deg=-4.33!) USER MOD Single : A 82 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -2.79! K(o=-2.8!,f=-1.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -150:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.11) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.5!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 142:sc= -0.213 (180deg=-1.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.909 -4.554 -2.413 1.00 4.74 N ATOM 2 CA MET A 1 -1.337 -5.420 -1.278 1.00 2.60 C ATOM 3 C MET A 1 -0.112 -6.085 -0.649 1.00 1.88 C ATOM 4 O MET A 1 0.053 -6.091 0.555 1.00 1.44 O ATOM 5 CB MET A 1 -2.290 -6.500 -1.790 1.00 2.78 C ATOM 6 CG MET A 1 -3.526 -5.842 -2.406 1.00 2.87 C ATOM 7 SD MET A 1 -3.492 -6.059 -4.203 1.00 3.31 S ATOM 8 CE MET A 1 -4.089 -4.408 -4.640 1.00 3.93 C ATOM 0 H1 MET A 1 -1.363 -3.622 -2.329 1.00 4.74 H new ATOM 0 H2 MET A 1 0.124 -4.439 -2.391 1.00 4.74 H new ATOM 0 H3 MET A 1 -1.189 -4.996 -3.312 1.00 4.74 H new ATOM 0 HA MET A 1 -1.844 -4.809 -0.531 1.00 2.60 H new ATOM 0 HB2 MET A 1 -1.788 -7.121 -2.532 1.00 2.78 H new ATOM 0 HB3 MET A 1 -2.585 -7.157 -0.972 1.00 2.78 H new ATOM 0 HG2 MET A 1 -4.432 -6.286 -1.992 1.00 2.87 H new ATOM 0 HG3 MET A 1 -3.548 -4.781 -2.157 1.00 2.87 H new ATOM 0 HE1 MET A 1 -4.147 -4.317 -5.725 1.00 3.93 H new ATOM 0 HE2 MET A 1 -5.078 -4.253 -4.209 1.00 3.93 H new ATOM 0 HE3 MET A 1 -3.402 -3.657 -4.250 1.00 3.93 H new ATOM 20 N ALA A 2 0.745 -6.651 -1.452 1.00 2.24 N ATOM 21 CA ALA A 2 1.952 -7.319 -0.893 1.00 1.72 C ATOM 22 C ALA A 2 2.645 -6.383 0.105 1.00 1.48 C ATOM 23 O ALA A 2 2.666 -5.182 -0.081 1.00 1.76 O ATOM 24 CB ALA A 2 2.919 -7.663 -2.026 1.00 2.19 C ATOM 0 H ALA A 2 0.662 -6.680 -2.468 1.00 2.24 H new ATOM 0 HA ALA A 2 1.652 -8.234 -0.382 1.00 1.72 H new ATOM 0 HB1 ALA A 2 3.802 -8.152 -1.615 1.00 2.19 H new ATOM 0 HB2 ALA A 2 2.429 -8.333 -2.732 1.00 2.19 H new ATOM 0 HB3 ALA A 2 3.217 -6.749 -2.540 1.00 2.19 H new ATOM 30 N PRO A 3 3.194 -6.973 1.135 1.00 1.08 N ATOM 31 CA PRO A 3 3.906 -6.235 2.197 1.00 1.03 C ATOM 32 C PRO A 3 5.309 -5.837 1.723 1.00 0.95 C ATOM 33 O PRO A 3 5.745 -6.219 0.655 1.00 1.19 O ATOM 34 CB PRO A 3 3.976 -7.244 3.346 1.00 0.74 C ATOM 35 CG PRO A 3 3.821 -8.646 2.707 1.00 0.42 C ATOM 36 CD PRO A 3 3.152 -8.433 1.338 1.00 0.82 C ATOM 0 HA PRO A 3 3.412 -5.307 2.484 1.00 1.03 H new ATOM 0 HB2 PRO A 3 4.924 -7.162 3.877 1.00 0.74 H new ATOM 0 HB3 PRO A 3 3.186 -7.059 4.074 1.00 0.74 H new ATOM 0 HG2 PRO A 3 4.791 -9.129 2.593 1.00 0.42 H new ATOM 0 HG3 PRO A 3 3.214 -9.295 3.338 1.00 0.42 H new ATOM 0 HD2 PRO A 3 3.687 -8.960 0.548 1.00 0.82 H new ATOM 0 HD3 PRO A 3 2.128 -8.806 1.333 1.00 0.82 H new ATOM 44 N VAL A 4 6.019 -5.064 2.504 1.00 0.72 N ATOM 45 CA VAL A 4 7.384 -4.635 2.095 1.00 0.61 C ATOM 46 C VAL A 4 8.365 -5.806 2.205 1.00 0.43 C ATOM 47 O VAL A 4 8.767 -6.188 3.285 1.00 0.43 O ATOM 48 CB VAL A 4 7.839 -3.527 3.033 1.00 0.73 C ATOM 49 CG1 VAL A 4 9.223 -3.031 2.611 1.00 2.84 C ATOM 50 CG2 VAL A 4 6.830 -2.388 2.960 1.00 3.33 C ATOM 0 H VAL A 4 5.709 -4.712 3.410 1.00 0.72 H new ATOM 0 HA VAL A 4 7.360 -4.287 1.062 1.00 0.61 H new ATOM 0 HB VAL A 4 7.900 -3.901 4.055 1.00 0.73 H new ATOM 0 HG11 VAL A 4 9.546 -2.237 3.285 1.00 2.84 H new ATOM 0 HG12 VAL A 4 9.934 -3.856 2.655 1.00 2.84 H new ATOM 0 HG13 VAL A 4 9.176 -2.646 1.592 1.00 2.84 H new ATOM 0 HG21 VAL A 4 7.140 -1.584 3.627 1.00 3.33 H new ATOM 0 HG22 VAL A 4 6.779 -2.012 1.938 1.00 3.33 H new ATOM 0 HG23 VAL A 4 5.848 -2.752 3.263 1.00 3.33 H new ATOM 60 N LEU A 5 8.787 -6.355 1.099 1.00 0.33 N ATOM 61 CA LEU A 5 9.777 -7.466 1.153 1.00 0.25 C ATOM 62 C LEU A 5 9.181 -8.717 1.823 1.00 0.34 C ATOM 63 O LEU A 5 8.399 -8.629 2.750 1.00 0.31 O ATOM 64 CB LEU A 5 10.981 -6.981 1.959 1.00 0.28 C ATOM 65 CG LEU A 5 11.206 -5.479 1.723 1.00 0.36 C ATOM 66 CD1 LEU A 5 12.630 -5.107 2.133 1.00 0.25 C ATOM 67 CD2 LEU A 5 10.997 -5.121 0.243 1.00 0.53 C ATOM 0 H LEU A 5 8.489 -6.082 0.162 1.00 0.33 H new ATOM 0 HA LEU A 5 10.066 -7.741 0.139 1.00 0.25 H new ATOM 0 HB2 LEU A 5 10.818 -7.170 3.020 1.00 0.28 H new ATOM 0 HB3 LEU A 5 11.871 -7.540 1.669 1.00 0.28 H new ATOM 0 HG LEU A 5 10.485 -4.923 2.323 1.00 0.36 H new ATOM 0 HD11 LEU A 5 12.790 -4.042 1.966 1.00 0.25 H new ATOM 0 HD12 LEU A 5 12.776 -5.335 3.189 1.00 0.25 H new ATOM 0 HD13 LEU A 5 13.341 -5.679 1.537 1.00 0.25 H new ATOM 0 HD21 LEU A 5 11.162 -4.053 0.100 1.00 0.53 H new ATOM 0 HD22 LEU A 5 11.702 -5.682 -0.370 1.00 0.53 H new ATOM 0 HD23 LEU A 5 9.979 -5.374 -0.052 1.00 0.53 H new ATOM 79 N GLU A 6 9.562 -9.884 1.357 1.00 0.48 N ATOM 80 CA GLU A 6 9.045 -11.160 1.949 1.00 0.60 C ATOM 81 C GLU A 6 10.204 -12.158 2.067 1.00 0.74 C ATOM 82 O GLU A 6 11.149 -12.093 1.321 1.00 0.80 O ATOM 83 CB GLU A 6 7.945 -11.732 1.055 1.00 0.68 C ATOM 84 CG GLU A 6 8.523 -12.076 -0.321 1.00 0.87 C ATOM 85 CD GLU A 6 8.510 -13.592 -0.520 1.00 1.13 C ATOM 86 OE1 GLU A 6 7.835 -14.265 0.240 1.00 1.77 O ATOM 87 OE2 GLU A 6 9.175 -14.055 -1.434 1.00 1.43 O ATOM 0 H GLU A 6 10.216 -10.007 0.584 1.00 0.48 H new ATOM 0 HA GLU A 6 8.628 -10.970 2.938 1.00 0.60 H new ATOM 0 HB2 GLU A 6 7.518 -12.624 1.514 1.00 0.68 H new ATOM 0 HB3 GLU A 6 7.136 -11.009 0.950 1.00 0.68 H new ATOM 0 HG2 GLU A 6 7.939 -11.592 -1.103 1.00 0.87 H new ATOM 0 HG3 GLU A 6 9.542 -11.697 -0.403 1.00 0.87 H new ATOM 94 N ASN A 7 10.159 -13.066 3.011 1.00 0.84 N ATOM 95 CA ASN A 7 11.289 -14.021 3.172 1.00 1.07 C ATOM 96 C ASN A 7 10.990 -15.364 2.511 1.00 0.88 C ATOM 97 O ASN A 7 10.321 -16.235 3.030 1.00 0.82 O ATOM 98 CB ASN A 7 11.621 -14.191 4.659 1.00 1.31 C ATOM 99 CG ASN A 7 10.956 -15.434 5.259 1.00 1.71 C ATOM 100 OD1 ASN A 7 11.631 -16.314 5.754 1.00 3.75 O ATOM 101 ND2 ASN A 7 9.658 -15.546 5.245 1.00 1.30 N ATOM 0 H ASN A 7 9.391 -13.184 3.672 1.00 0.84 H new ATOM 0 HA ASN A 7 12.162 -13.609 2.665 1.00 1.07 H new ATOM 0 HB2 ASN A 7 12.702 -14.263 4.783 1.00 1.31 H new ATOM 0 HB3 ASN A 7 11.296 -13.306 5.206 1.00 1.31 H new ATOM 0 HD21 ASN A 7 9.213 -16.370 5.649 1.00 1.30 H new ATOM 0 HD22 ASN A 7 9.087 -14.809 4.830 1.00 1.30 H new ATOM 108 N ARG A 8 11.501 -15.512 1.343 1.00 0.86 N ATOM 109 CA ARG A 8 11.309 -16.766 0.571 1.00 0.77 C ATOM 110 C ARG A 8 12.234 -17.871 1.092 1.00 0.50 C ATOM 111 O ARG A 8 11.881 -19.023 1.116 1.00 0.41 O ATOM 112 CB ARG A 8 11.679 -16.504 -0.894 1.00 0.93 C ATOM 113 CG ARG A 8 11.976 -17.832 -1.604 1.00 1.13 C ATOM 114 CD ARG A 8 13.468 -17.906 -1.937 1.00 3.41 C ATOM 115 NE ARG A 8 13.656 -18.598 -3.244 1.00 3.02 N ATOM 116 CZ ARG A 8 14.666 -19.409 -3.413 1.00 4.99 C ATOM 117 NH1 ARG A 8 15.887 -18.962 -3.306 1.00 7.06 N ATOM 118 NH2 ARG A 8 14.455 -20.667 -3.690 1.00 4.99 N ATOM 0 H ARG A 8 12.061 -14.803 0.869 1.00 0.86 H new ATOM 0 HA ARG A 8 10.270 -17.080 0.673 1.00 0.77 H new ATOM 0 HB2 ARG A 8 10.862 -15.987 -1.398 1.00 0.93 H new ATOM 0 HB3 ARG A 8 12.550 -15.851 -0.947 1.00 0.93 H new ATOM 0 HG2 ARG A 8 11.692 -18.670 -0.967 1.00 1.13 H new ATOM 0 HG3 ARG A 8 11.384 -17.910 -2.516 1.00 1.13 H new ATOM 0 HD2 ARG A 8 13.891 -16.902 -1.981 1.00 3.41 H new ATOM 0 HD3 ARG A 8 14.000 -18.442 -1.151 1.00 3.41 H new ATOM 0 HE ARG A 8 12.997 -18.438 -4.006 1.00 3.02 H new ATOM 0 HH11 ARG A 8 16.053 -17.979 -3.090 1.00 7.06 H new ATOM 0 HH12 ARG A 8 16.675 -19.596 -3.438 1.00 7.06 H new ATOM 0 HH21 ARG A 8 13.501 -21.017 -3.775 1.00 4.99 H new ATOM 0 HH22 ARG A 8 15.244 -21.300 -3.822 1.00 4.99 H new ATOM 132 N ARG A 9 13.441 -17.535 1.422 1.00 0.38 N ATOM 133 CA ARG A 9 14.433 -18.572 1.835 1.00 0.22 C ATOM 134 C ARG A 9 14.014 -19.434 3.041 1.00 0.17 C ATOM 135 O ARG A 9 14.334 -20.598 3.080 1.00 0.28 O ATOM 136 CB ARG A 9 15.760 -17.882 2.153 1.00 0.23 C ATOM 137 CG ARG A 9 16.902 -18.660 1.501 1.00 0.45 C ATOM 138 CD ARG A 9 17.571 -19.543 2.553 1.00 1.66 C ATOM 139 NE ARG A 9 18.890 -18.963 2.921 1.00 1.45 N ATOM 140 CZ ARG A 9 19.918 -19.746 3.095 1.00 0.95 C ATOM 141 NH1 ARG A 9 19.914 -20.618 4.067 1.00 1.33 N ATOM 142 NH2 ARG A 9 20.945 -19.662 2.295 1.00 0.64 N ATOM 0 H ARG A 9 13.793 -16.578 1.426 1.00 0.38 H new ATOM 0 HA ARG A 9 14.514 -19.262 0.995 1.00 0.22 H new ATOM 0 HB2 ARG A 9 15.747 -16.856 1.785 1.00 0.23 H new ATOM 0 HB3 ARG A 9 15.908 -17.832 3.232 1.00 0.23 H new ATOM 0 HG2 ARG A 9 16.521 -19.272 0.684 1.00 0.45 H new ATOM 0 HG3 ARG A 9 17.629 -17.971 1.071 1.00 0.45 H new ATOM 0 HD2 ARG A 9 16.936 -19.620 3.436 1.00 1.66 H new ATOM 0 HD3 ARG A 9 17.701 -20.553 2.166 1.00 1.66 H new ATOM 0 HE ARG A 9 18.990 -17.955 3.037 1.00 1.45 H new ATOM 0 HH11 ARG A 9 19.108 -20.686 4.688 1.00 1.33 H new ATOM 0 HH12 ARG A 9 20.717 -21.232 4.205 1.00 1.33 H new ATOM 0 HH21 ARG A 9 20.944 -18.984 1.533 1.00 0.64 H new ATOM 0 HH22 ARG A 9 21.749 -20.275 2.431 1.00 0.64 H new ATOM 156 N ALA A 10 13.370 -18.901 4.041 1.00 0.37 N ATOM 157 CA ALA A 10 13.022 -19.750 5.220 1.00 0.59 C ATOM 158 C ALA A 10 11.667 -20.418 5.054 1.00 0.60 C ATOM 159 O ALA A 10 11.517 -21.597 5.308 1.00 0.61 O ATOM 160 CB ALA A 10 13.001 -18.892 6.489 1.00 0.88 C ATOM 0 H ALA A 10 13.072 -17.927 4.096 1.00 0.37 H new ATOM 0 HA ALA A 10 13.781 -20.528 5.299 1.00 0.59 H new ATOM 0 HB1 ALA A 10 12.747 -19.516 7.346 1.00 0.88 H new ATOM 0 HB2 ALA A 10 13.984 -18.447 6.643 1.00 0.88 H new ATOM 0 HB3 ALA A 10 12.258 -18.102 6.382 1.00 0.88 H new ATOM 166 N ARG A 11 10.679 -19.699 4.631 1.00 0.68 N ATOM 167 CA ARG A 11 9.353 -20.336 4.459 1.00 0.78 C ATOM 168 C ARG A 11 9.455 -21.303 3.291 1.00 0.56 C ATOM 169 O ARG A 11 8.760 -22.297 3.217 1.00 0.56 O ATOM 170 CB ARG A 11 8.310 -19.261 4.143 1.00 1.03 C ATOM 171 CG ARG A 11 7.098 -19.426 5.063 1.00 0.77 C ATOM 172 CD ARG A 11 6.912 -18.157 5.896 1.00 1.01 C ATOM 173 NE ARG A 11 5.658 -17.465 5.479 1.00 2.07 N ATOM 174 CZ ARG A 11 4.919 -16.861 6.372 1.00 3.56 C ATOM 175 NH1 ARG A 11 5.458 -16.420 7.473 1.00 4.41 N ATOM 176 NH2 ARG A 11 3.639 -16.703 6.168 1.00 4.24 N ATOM 0 H ARG A 11 10.727 -18.707 4.398 1.00 0.68 H new ATOM 0 HA ARG A 11 9.056 -20.861 5.367 1.00 0.78 H new ATOM 0 HB2 ARG A 11 8.745 -18.270 4.274 1.00 1.03 H new ATOM 0 HB3 ARG A 11 8.000 -19.338 3.101 1.00 1.03 H new ATOM 0 HG2 ARG A 11 6.203 -19.620 4.472 1.00 0.77 H new ATOM 0 HG3 ARG A 11 7.240 -20.286 5.718 1.00 0.77 H new ATOM 0 HD2 ARG A 11 6.865 -18.409 6.956 1.00 1.01 H new ATOM 0 HD3 ARG A 11 7.767 -17.494 5.763 1.00 1.01 H new ATOM 0 HE ARG A 11 5.378 -17.463 4.498 1.00 2.07 H new ATOM 0 HH11 ARG A 11 6.457 -16.546 7.638 1.00 4.41 H new ATOM 0 HH12 ARG A 11 4.881 -15.949 8.170 1.00 4.41 H new ATOM 0 HH21 ARG A 11 3.213 -17.051 5.309 1.00 4.24 H new ATOM 0 HH22 ARG A 11 3.066 -16.231 6.867 1.00 4.24 H new ATOM 190 N HIS A 12 10.316 -20.993 2.368 1.00 0.42 N ATOM 191 CA HIS A 12 10.487 -21.859 1.172 1.00 0.38 C ATOM 192 C HIS A 12 11.656 -22.834 1.312 1.00 0.22 C ATOM 193 O HIS A 12 11.597 -23.949 0.836 1.00 0.33 O ATOM 194 CB HIS A 12 10.755 -20.990 -0.057 1.00 0.54 C ATOM 195 CG HIS A 12 10.514 -21.803 -1.295 1.00 0.85 C ATOM 196 ND1 HIS A 12 9.385 -21.638 -2.080 1.00 1.13 N ATOM 197 CD2 HIS A 12 11.248 -22.795 -1.896 1.00 1.28 C ATOM 198 CE1 HIS A 12 9.470 -22.512 -3.099 1.00 1.34 C ATOM 199 NE2 HIS A 12 10.588 -23.242 -3.035 1.00 1.46 N ATOM 0 H HIS A 12 10.915 -20.168 2.391 1.00 0.42 H new ATOM 0 HA HIS A 12 9.566 -22.432 1.069 1.00 0.38 H new ATOM 0 HB2 HIS A 12 10.104 -20.116 -0.049 1.00 0.54 H new ATOM 0 HB3 HIS A 12 11.781 -20.623 -0.042 1.00 0.54 H new ATOM 0 HD2 HIS A 12 12.195 -23.171 -1.538 1.00 1.28 H new ATOM 0 HE1 HIS A 12 8.725 -22.612 -3.875 1.00 1.34 H new ATOM 0 HE2 HIS A 12 10.891 -23.970 -3.682 1.00 1.46 H new ATOM 207 N ASP A 13 12.765 -22.382 1.837 1.00 0.10 N ATOM 208 CA ASP A 13 13.968 -23.267 1.837 1.00 0.26 C ATOM 209 C ASP A 13 14.464 -23.779 3.199 1.00 0.28 C ATOM 210 O ASP A 13 14.991 -24.872 3.247 1.00 0.34 O ATOM 211 CB ASP A 13 15.112 -22.495 1.173 1.00 0.38 C ATOM 212 CG ASP A 13 15.852 -23.406 0.192 1.00 0.56 C ATOM 213 OD1 ASP A 13 16.589 -24.264 0.649 1.00 1.27 O ATOM 214 OD2 ASP A 13 15.674 -23.226 -1.002 1.00 0.40 O ATOM 0 H ASP A 13 12.890 -21.461 2.257 1.00 0.10 H new ATOM 0 HA ASP A 13 13.657 -24.166 1.304 1.00 0.26 H new ATOM 0 HB2 ASP A 13 14.719 -21.624 0.649 1.00 0.38 H new ATOM 0 HB3 ASP A 13 15.802 -22.126 1.932 1.00 0.38 H new ATOM 219 N TYR A 14 14.408 -23.065 4.295 1.00 0.29 N ATOM 220 CA TYR A 14 15.032 -23.722 5.496 1.00 0.33 C ATOM 221 C TYR A 14 14.391 -23.370 6.860 1.00 0.33 C ATOM 222 O TYR A 14 13.817 -22.317 7.059 1.00 0.34 O ATOM 223 CB TYR A 14 16.530 -23.360 5.510 1.00 0.31 C ATOM 224 CG TYR A 14 17.245 -24.287 6.455 1.00 0.30 C ATOM 225 CD1 TYR A 14 17.191 -24.007 7.809 1.00 0.39 C ATOM 226 CD2 TYR A 14 17.904 -25.450 6.001 1.00 0.23 C ATOM 227 CE1 TYR A 14 17.800 -24.872 8.726 1.00 0.35 C ATOM 228 CE2 TYR A 14 18.492 -26.321 6.923 1.00 0.22 C ATOM 229 CZ TYR A 14 18.440 -26.029 8.287 1.00 0.26 C ATOM 230 OH TYR A 14 18.994 -26.902 9.202 1.00 0.24 O ATOM 0 H TYR A 14 13.998 -22.139 4.416 1.00 0.29 H new ATOM 0 HA TYR A 14 14.862 -24.793 5.386 1.00 0.33 H new ATOM 0 HB2 TYR A 14 16.949 -23.447 4.507 1.00 0.31 H new ATOM 0 HB3 TYR A 14 16.665 -22.325 5.823 1.00 0.31 H new ATOM 0 HD1 TYR A 14 16.680 -23.122 8.158 1.00 0.39 H new ATOM 0 HD2 TYR A 14 17.954 -25.666 4.944 1.00 0.23 H new ATOM 0 HE1 TYR A 14 17.773 -24.641 9.781 1.00 0.35 H new ATOM 0 HE2 TYR A 14 18.986 -27.218 6.580 1.00 0.22 H new ATOM 0 HH TYR A 14 19.865 -27.210 8.875 1.00 0.24 H new ATOM 240 N GLU A 15 14.543 -24.290 7.807 1.00 0.35 N ATOM 241 CA GLU A 15 14.022 -24.115 9.211 1.00 0.34 C ATOM 242 C GLU A 15 15.059 -23.322 10.000 1.00 0.33 C ATOM 243 O GLU A 15 16.196 -23.650 10.021 1.00 0.47 O ATOM 244 CB GLU A 15 13.882 -25.488 9.855 1.00 0.39 C ATOM 245 CG GLU A 15 13.745 -25.322 11.367 1.00 0.37 C ATOM 246 CD GLU A 15 12.460 -24.553 11.674 1.00 2.31 C ATOM 247 OE1 GLU A 15 11.401 -25.041 11.316 1.00 1.98 O ATOM 248 OE2 GLU A 15 12.556 -23.487 12.260 1.00 4.46 O ATOM 0 H GLU A 15 15.021 -25.178 7.653 1.00 0.35 H new ATOM 0 HA GLU A 15 13.060 -23.602 9.202 1.00 0.34 H new ATOM 0 HB2 GLU A 15 13.010 -26.004 9.453 1.00 0.39 H new ATOM 0 HB3 GLU A 15 14.752 -26.103 9.622 1.00 0.39 H new ATOM 0 HG2 GLU A 15 13.723 -26.298 11.852 1.00 0.37 H new ATOM 0 HG3 GLU A 15 14.607 -24.787 11.766 1.00 0.37 H new ATOM 255 N ILE A 16 14.730 -22.260 10.612 1.00 0.30 N ATOM 256 CA ILE A 16 15.821 -21.493 11.262 1.00 0.39 C ATOM 257 C ILE A 16 16.266 -21.970 12.653 1.00 0.41 C ATOM 258 O ILE A 16 15.510 -22.064 13.600 1.00 0.43 O ATOM 259 CB ILE A 16 15.412 -20.050 11.226 1.00 0.52 C ATOM 260 CG1 ILE A 16 15.464 -19.665 9.745 1.00 0.47 C ATOM 261 CG2 ILE A 16 16.372 -19.203 12.056 1.00 0.59 C ATOM 262 CD1 ILE A 16 16.878 -19.891 9.208 1.00 0.32 C ATOM 0 H ILE A 16 13.787 -21.880 10.702 1.00 0.30 H new ATOM 0 HA ILE A 16 16.737 -21.664 10.697 1.00 0.39 H new ATOM 0 HB ILE A 16 14.421 -19.886 11.649 1.00 0.52 H new ATOM 0 HG12 ILE A 16 14.749 -20.261 9.178 1.00 0.47 H new ATOM 0 HG13 ILE A 16 15.179 -18.621 9.620 1.00 0.47 H new ATOM 0 HG21 ILE A 16 16.061 -18.159 12.019 1.00 0.59 H new ATOM 0 HG22 ILE A 16 16.361 -19.549 13.090 1.00 0.59 H new ATOM 0 HG23 ILE A 16 17.380 -19.296 11.653 1.00 0.59 H new ATOM 0 HD11 ILE A 16 16.915 -19.617 8.154 1.00 0.32 H new ATOM 0 HD12 ILE A 16 17.582 -19.276 9.768 1.00 0.32 H new ATOM 0 HD13 ILE A 16 17.146 -20.942 9.319 1.00 0.32 H new ATOM 274 N LEU A 17 17.550 -22.273 12.718 1.00 0.48 N ATOM 275 CA LEU A 17 18.236 -22.765 13.952 1.00 0.61 C ATOM 276 C LEU A 17 18.496 -21.606 14.961 1.00 0.70 C ATOM 277 O LEU A 17 18.202 -21.733 16.133 1.00 0.98 O ATOM 278 CB LEU A 17 19.553 -23.416 13.465 1.00 0.96 C ATOM 279 CG LEU A 17 20.757 -22.996 14.308 1.00 1.03 C ATOM 280 CD1 LEU A 17 20.765 -23.791 15.616 1.00 2.57 C ATOM 281 CD2 LEU A 17 22.048 -23.296 13.519 1.00 2.48 C ATOM 0 H LEU A 17 18.175 -22.191 11.916 1.00 0.48 H new ATOM 0 HA LEU A 17 17.621 -23.483 14.494 1.00 0.61 H new ATOM 0 HB2 LEU A 17 19.452 -24.501 13.496 1.00 0.96 H new ATOM 0 HB3 LEU A 17 19.728 -23.142 12.425 1.00 0.96 H new ATOM 0 HG LEU A 17 20.698 -21.931 14.533 1.00 1.03 H new ATOM 0 HD11 LEU A 17 21.623 -23.492 16.218 1.00 2.57 H new ATOM 0 HD12 LEU A 17 19.847 -23.591 16.169 1.00 2.57 H new ATOM 0 HD13 LEU A 17 20.831 -24.856 15.394 1.00 2.57 H new ATOM 0 HD21 LEU A 17 22.914 -23.000 14.112 1.00 2.48 H new ATOM 0 HD22 LEU A 17 22.103 -24.363 13.304 1.00 2.48 H new ATOM 0 HD23 LEU A 17 22.041 -22.737 12.583 1.00 2.48 H new ATOM 293 N GLU A 18 19.015 -20.476 14.517 1.00 0.54 N ATOM 294 CA GLU A 18 19.255 -19.312 15.454 1.00 0.58 C ATOM 295 C GLU A 18 18.406 -18.133 14.936 1.00 0.71 C ATOM 296 O GLU A 18 18.161 -18.036 13.758 1.00 0.95 O ATOM 297 CB GLU A 18 20.764 -18.959 15.523 1.00 0.41 C ATOM 298 CG GLU A 18 21.053 -18.281 16.860 1.00 0.25 C ATOM 299 CD GLU A 18 20.970 -19.318 17.985 1.00 0.48 C ATOM 300 OE1 GLU A 18 20.557 -20.432 17.707 1.00 0.52 O ATOM 301 OE2 GLU A 18 21.319 -18.979 19.103 1.00 0.80 O ATOM 0 H GLU A 18 19.283 -20.307 13.548 1.00 0.54 H new ATOM 0 HA GLU A 18 18.960 -19.561 16.473 1.00 0.58 H new ATOM 0 HB2 GLU A 18 21.367 -19.861 15.420 1.00 0.41 H new ATOM 0 HB3 GLU A 18 21.035 -18.299 14.699 1.00 0.41 H new ATOM 0 HG2 GLU A 18 22.043 -17.825 16.843 1.00 0.25 H new ATOM 0 HG3 GLU A 18 20.336 -17.479 17.036 1.00 0.25 H new ATOM 308 N THR A 19 17.881 -17.275 15.786 1.00 0.73 N ATOM 309 CA THR A 19 16.982 -16.185 15.250 1.00 0.87 C ATOM 310 C THR A 19 17.261 -14.794 15.844 1.00 0.61 C ATOM 311 O THR A 19 17.619 -14.661 16.998 1.00 0.43 O ATOM 312 CB THR A 19 15.530 -16.558 15.564 1.00 1.24 C ATOM 313 OG1 THR A 19 15.441 -17.012 16.906 1.00 1.69 O ATOM 314 CG2 THR A 19 15.066 -17.668 14.621 1.00 0.83 C ATOM 0 H THR A 19 18.027 -17.276 16.796 1.00 0.73 H new ATOM 0 HA THR A 19 17.176 -16.117 14.180 1.00 0.87 H new ATOM 0 HB THR A 19 14.895 -15.682 15.429 1.00 1.24 H new ATOM 0 HG1 THR A 19 14.512 -17.250 17.110 1.00 1.69 H new ATOM 0 HG21 THR A 19 14.033 -17.930 14.848 1.00 0.83 H new ATOM 0 HG22 THR A 19 15.134 -17.322 13.590 1.00 0.83 H new ATOM 0 HG23 THR A 19 15.700 -18.545 14.752 1.00 0.83 H new ATOM 322 N TYR A 20 17.004 -13.743 15.083 1.00 0.65 N ATOM 323 CA TYR A 20 17.162 -12.364 15.639 1.00 0.54 C ATOM 324 C TYR A 20 16.074 -11.448 15.153 1.00 0.61 C ATOM 325 O TYR A 20 15.443 -11.658 14.134 1.00 0.72 O ATOM 326 CB TYR A 20 18.570 -11.773 15.412 1.00 0.65 C ATOM 327 CG TYR A 20 18.891 -11.187 14.036 1.00 0.50 C ATOM 328 CD1 TYR A 20 17.957 -10.563 13.180 1.00 0.61 C ATOM 329 CD2 TYR A 20 20.227 -11.278 13.642 1.00 0.22 C ATOM 330 CE1 TYR A 20 18.391 -10.052 11.937 1.00 0.45 C ATOM 331 CE2 TYR A 20 20.656 -10.774 12.422 1.00 0.07 C ATOM 332 CZ TYR A 20 19.741 -10.161 11.561 1.00 0.18 C ATOM 333 OH TYR A 20 20.161 -9.661 10.347 1.00 0.03 O ATOM 0 H TYR A 20 16.695 -13.788 14.112 1.00 0.65 H new ATOM 0 HA TYR A 20 17.056 -12.454 16.720 1.00 0.54 H new ATOM 0 HB2 TYR A 20 18.726 -10.989 16.153 1.00 0.65 H new ATOM 0 HB3 TYR A 20 19.298 -12.557 15.619 1.00 0.65 H new ATOM 0 HD1 TYR A 20 16.921 -10.477 13.473 1.00 0.61 H new ATOM 0 HD2 TYR A 20 20.942 -11.750 14.300 1.00 0.22 H new ATOM 0 HE1 TYR A 20 17.684 -9.576 11.274 1.00 0.45 H new ATOM 0 HE2 TYR A 20 21.695 -10.855 12.138 1.00 0.07 H new ATOM 0 HH TYR A 20 19.473 -9.065 9.983 1.00 0.03 H new ATOM 343 N GLU A 21 15.833 -10.448 15.930 1.00 0.55 N ATOM 344 CA GLU A 21 14.772 -9.477 15.625 1.00 0.62 C ATOM 345 C GLU A 21 15.409 -8.114 15.362 1.00 0.78 C ATOM 346 O GLU A 21 16.059 -7.548 16.220 1.00 0.89 O ATOM 347 CB GLU A 21 13.879 -9.420 16.850 1.00 0.48 C ATOM 348 CG GLU A 21 12.424 -9.665 16.448 1.00 0.50 C ATOM 349 CD GLU A 21 11.687 -10.343 17.602 1.00 0.54 C ATOM 350 OE1 GLU A 21 11.984 -10.018 18.740 1.00 1.16 O ATOM 351 OE2 GLU A 21 10.838 -11.175 17.330 1.00 0.71 O ATOM 0 H GLU A 21 16.345 -10.258 16.792 1.00 0.55 H new ATOM 0 HA GLU A 21 14.197 -9.759 14.743 1.00 0.62 H new ATOM 0 HB2 GLU A 21 14.195 -10.169 17.576 1.00 0.48 H new ATOM 0 HB3 GLU A 21 13.973 -8.448 17.334 1.00 0.48 H new ATOM 0 HG2 GLU A 21 11.940 -8.721 16.198 1.00 0.50 H new ATOM 0 HG3 GLU A 21 12.382 -10.291 15.557 1.00 0.50 H new ATOM 358 N ALA A 22 15.244 -7.594 14.185 1.00 0.83 N ATOM 359 CA ALA A 22 15.852 -6.283 13.859 1.00 0.97 C ATOM 360 C ALA A 22 14.764 -5.217 13.776 1.00 0.79 C ATOM 361 O ALA A 22 13.588 -5.509 13.700 1.00 0.64 O ATOM 362 CB ALA A 22 16.562 -6.378 12.509 1.00 1.22 C ATOM 0 H ALA A 22 14.710 -8.024 13.429 1.00 0.83 H new ATOM 0 HA ALA A 22 16.566 -6.014 14.637 1.00 0.97 H new ATOM 0 HB1 ALA A 22 17.011 -5.415 12.265 1.00 1.22 H new ATOM 0 HB2 ALA A 22 17.341 -7.139 12.560 1.00 1.22 H new ATOM 0 HB3 ALA A 22 15.841 -6.648 11.737 1.00 1.22 H new ATOM 368 N GLY A 23 15.161 -3.982 13.784 1.00 0.85 N ATOM 369 CA GLY A 23 14.180 -2.874 13.698 1.00 0.68 C ATOM 370 C GLY A 23 14.712 -1.869 12.690 1.00 0.57 C ATOM 371 O GLY A 23 15.664 -1.158 12.948 1.00 0.60 O ATOM 0 H GLY A 23 16.136 -3.689 13.847 1.00 0.85 H new ATOM 0 HA2 GLY A 23 13.205 -3.249 13.387 1.00 0.68 H new ATOM 0 HA3 GLY A 23 14.045 -2.405 14.673 1.00 0.68 H new ATOM 375 N ILE A 24 14.132 -1.816 11.528 1.00 0.46 N ATOM 376 CA ILE A 24 14.644 -0.871 10.500 1.00 0.41 C ATOM 377 C ILE A 24 13.778 0.382 10.523 1.00 0.28 C ATOM 378 O ILE A 24 12.601 0.341 10.251 1.00 0.31 O ATOM 379 CB ILE A 24 14.572 -1.532 9.119 1.00 0.55 C ATOM 380 CG1 ILE A 24 15.657 -2.598 8.994 1.00 0.71 C ATOM 381 CG2 ILE A 24 14.810 -0.490 8.033 1.00 0.64 C ATOM 382 CD1 ILE A 24 15.984 -3.132 10.375 1.00 0.74 C ATOM 0 H ILE A 24 13.331 -2.381 11.245 1.00 0.46 H new ATOM 0 HA ILE A 24 15.681 -0.607 10.710 1.00 0.41 H new ATOM 0 HB ILE A 24 13.586 -1.982 9.004 1.00 0.55 H new ATOM 0 HG12 ILE A 24 15.317 -3.407 8.348 1.00 0.71 H new ATOM 0 HG13 ILE A 24 16.549 -2.175 8.533 1.00 0.71 H new ATOM 0 HG21 ILE A 24 14.758 -0.966 7.054 1.00 0.64 H new ATOM 0 HG22 ILE A 24 14.048 0.286 8.100 1.00 0.64 H new ATOM 0 HG23 ILE A 24 15.795 -0.043 8.167 1.00 0.64 H new ATOM 0 HD11 ILE A 24 16.759 -3.895 10.296 1.00 0.74 H new ATOM 0 HD12 ILE A 24 16.340 -2.317 11.005 1.00 0.74 H new ATOM 0 HD13 ILE A 24 15.089 -3.569 10.818 1.00 0.74 H new ATOM 394 N ALA A 25 14.344 1.500 10.850 1.00 0.25 N ATOM 395 CA ALA A 25 13.507 2.747 10.876 1.00 0.33 C ATOM 396 C ALA A 25 13.443 3.363 9.495 1.00 0.44 C ATOM 397 O ALA A 25 14.168 3.005 8.588 1.00 0.49 O ATOM 398 CB ALA A 25 14.032 3.784 11.831 1.00 0.34 C ATOM 0 H ALA A 25 15.327 1.618 11.097 1.00 0.25 H new ATOM 0 HA ALA A 25 12.517 2.442 11.214 1.00 0.33 H new ATOM 0 HB1 ALA A 25 13.386 4.662 11.806 1.00 0.34 H new ATOM 0 HB2 ALA A 25 14.048 3.374 12.841 1.00 0.34 H new ATOM 0 HB3 ALA A 25 15.043 4.069 11.539 1.00 0.34 H new ATOM 404 N LEU A 26 12.512 4.247 9.331 1.00 0.59 N ATOM 405 CA LEU A 26 12.280 4.873 8.020 1.00 0.73 C ATOM 406 C LEU A 26 12.485 6.386 8.036 1.00 0.71 C ATOM 407 O LEU A 26 12.050 7.082 8.934 1.00 0.70 O ATOM 408 CB LEU A 26 10.822 4.609 7.612 1.00 1.05 C ATOM 409 CG LEU A 26 10.463 3.115 7.754 1.00 0.69 C ATOM 410 CD1 LEU A 26 11.379 2.307 6.851 1.00 2.63 C ATOM 411 CD2 LEU A 26 10.615 2.623 9.214 1.00 0.39 C ATOM 0 H LEU A 26 11.888 4.567 10.072 1.00 0.59 H new ATOM 0 HA LEU A 26 12.999 4.442 7.323 1.00 0.73 H new ATOM 0 HB2 LEU A 26 10.154 5.206 8.233 1.00 1.05 H new ATOM 0 HB3 LEU A 26 10.667 4.926 6.581 1.00 1.05 H new ATOM 0 HG LEU A 26 9.420 2.983 7.467 1.00 0.69 H new ATOM 0 HD11 LEU A 26 11.137 1.248 6.941 1.00 2.63 H new ATOM 0 HD12 LEU A 26 11.243 2.624 5.817 1.00 2.63 H new ATOM 0 HD13 LEU A 26 12.416 2.468 7.146 1.00 2.63 H new ATOM 0 HD21 LEU A 26 10.353 1.567 9.271 1.00 0.39 H new ATOM 0 HD22 LEU A 26 11.647 2.759 9.538 1.00 0.39 H new ATOM 0 HD23 LEU A 26 9.953 3.197 9.862 1.00 0.39 H new ATOM 423 N LYS A 27 13.031 6.897 6.973 1.00 0.71 N ATOM 424 CA LYS A 27 13.154 8.358 6.813 1.00 0.73 C ATOM 425 C LYS A 27 11.746 8.789 6.375 1.00 0.72 C ATOM 426 O LYS A 27 10.833 7.988 6.407 1.00 0.73 O ATOM 427 CB LYS A 27 14.183 8.676 5.718 1.00 0.77 C ATOM 428 CG LYS A 27 14.670 10.124 5.845 1.00 0.47 C ATOM 429 CD LYS A 27 14.709 10.767 4.455 1.00 1.01 C ATOM 430 CE LYS A 27 13.410 11.538 4.213 1.00 3.50 C ATOM 431 NZ LYS A 27 13.499 12.282 2.923 1.00 5.43 N ATOM 0 H LYS A 27 13.402 6.349 6.197 1.00 0.71 H new ATOM 0 HA LYS A 27 13.489 8.869 7.716 1.00 0.73 H new ATOM 0 HB2 LYS A 27 15.029 7.993 5.796 1.00 0.77 H new ATOM 0 HB3 LYS A 27 13.737 8.521 4.735 1.00 0.77 H new ATOM 0 HG2 LYS A 27 14.006 10.687 6.501 1.00 0.47 H new ATOM 0 HG3 LYS A 27 15.661 10.148 6.298 1.00 0.47 H new ATOM 0 HD2 LYS A 27 15.563 11.439 4.378 1.00 1.01 H new ATOM 0 HD3 LYS A 27 14.837 10.000 3.691 1.00 1.01 H new ATOM 0 HE2 LYS A 27 12.566 10.849 4.189 1.00 3.50 H new ATOM 0 HE3 LYS A 27 13.230 12.233 5.033 1.00 3.50 H new ATOM 0 HZ1 LYS A 27 12.614 12.805 2.762 1.00 5.43 H new ATOM 0 HZ2 LYS A 27 14.294 12.951 2.962 1.00 5.43 H new ATOM 0 HZ3 LYS A 27 13.650 11.610 2.144 1.00 5.43 H new ATOM 445 N GLY A 28 11.511 10.013 6.026 1.00 0.72 N ATOM 446 CA GLY A 28 10.111 10.393 5.677 1.00 0.73 C ATOM 447 C GLY A 28 9.551 9.628 4.472 1.00 0.71 C ATOM 448 O GLY A 28 8.439 9.142 4.510 1.00 0.78 O ATOM 0 H GLY A 28 12.205 10.758 5.965 1.00 0.72 H new ATOM 0 HA2 GLY A 28 9.469 10.216 6.540 1.00 0.73 H new ATOM 0 HA3 GLY A 28 10.075 11.462 5.467 1.00 0.73 H new ATOM 452 N THR A 29 10.284 9.515 3.416 1.00 0.64 N ATOM 453 CA THR A 29 9.758 8.787 2.233 1.00 0.65 C ATOM 454 C THR A 29 10.118 7.324 2.327 1.00 0.69 C ATOM 455 O THR A 29 9.641 6.510 1.567 1.00 0.75 O ATOM 456 CB THR A 29 10.317 9.356 0.944 1.00 0.57 C ATOM 457 OG1 THR A 29 11.723 9.153 0.905 1.00 0.49 O ATOM 458 CG2 THR A 29 10.008 10.854 0.854 1.00 0.66 C ATOM 0 H THR A 29 11.226 9.893 3.314 1.00 0.64 H new ATOM 0 HA THR A 29 8.674 8.904 2.224 1.00 0.65 H new ATOM 0 HB THR A 29 9.854 8.848 0.099 1.00 0.57 H new ATOM 0 HG1 THR A 29 12.083 9.520 0.071 1.00 0.49 H new ATOM 0 HG21 THR A 29 10.414 11.254 -0.075 1.00 0.66 H new ATOM 0 HG22 THR A 29 8.929 11.005 0.873 1.00 0.66 H new ATOM 0 HG23 THR A 29 10.462 11.371 1.700 1.00 0.66 H new ATOM 466 N GLU A 30 10.954 6.972 3.246 1.00 0.68 N ATOM 467 CA GLU A 30 11.331 5.540 3.359 1.00 0.74 C ATOM 468 C GLU A 30 10.079 4.774 3.558 1.00 0.86 C ATOM 469 O GLU A 30 9.976 3.654 3.165 1.00 0.93 O ATOM 470 CB GLU A 30 12.258 5.319 4.532 1.00 0.73 C ATOM 471 CG GLU A 30 13.692 5.645 4.102 1.00 0.75 C ATOM 472 CD GLU A 30 14.681 4.903 5.004 1.00 1.33 C ATOM 473 OE1 GLU A 30 14.587 3.690 5.079 1.00 0.39 O ATOM 474 OE2 GLU A 30 15.517 5.562 5.602 1.00 3.06 O ATOM 0 H GLU A 30 11.392 7.601 3.920 1.00 0.68 H new ATOM 0 HA GLU A 30 11.855 5.216 2.460 1.00 0.74 H new ATOM 0 HB2 GLU A 30 11.963 5.951 5.369 1.00 0.73 H new ATOM 0 HB3 GLU A 30 12.193 4.286 4.874 1.00 0.73 H new ATOM 0 HG2 GLU A 30 13.845 5.356 3.062 1.00 0.75 H new ATOM 0 HG3 GLU A 30 13.865 6.719 4.163 1.00 0.75 H new ATOM 481 N VAL A 31 9.118 5.345 4.173 1.00 0.90 N ATOM 482 CA VAL A 31 7.900 4.553 4.360 1.00 1.02 C ATOM 483 C VAL A 31 7.126 4.409 3.036 1.00 1.08 C ATOM 484 O VAL A 31 6.535 3.382 2.801 1.00 1.10 O ATOM 485 CB VAL A 31 7.045 5.135 5.466 1.00 1.19 C ATOM 486 CG1 VAL A 31 5.571 5.020 5.083 1.00 1.31 C ATOM 487 CG2 VAL A 31 7.334 4.309 6.723 1.00 1.08 C ATOM 0 H VAL A 31 9.113 6.294 4.546 1.00 0.90 H new ATOM 0 HA VAL A 31 8.185 3.548 4.670 1.00 1.02 H new ATOM 0 HB VAL A 31 7.268 6.188 5.635 1.00 1.19 H new ATOM 0 HG11 VAL A 31 4.955 5.439 5.879 1.00 1.31 H new ATOM 0 HG12 VAL A 31 5.392 5.568 4.158 1.00 1.31 H new ATOM 0 HG13 VAL A 31 5.313 3.971 4.939 1.00 1.31 H new ATOM 0 HG21 VAL A 31 6.740 4.690 7.553 1.00 1.08 H new ATOM 0 HG22 VAL A 31 7.076 3.266 6.540 1.00 1.08 H new ATOM 0 HG23 VAL A 31 8.393 4.382 6.971 1.00 1.08 H new ATOM 497 N LYS A 32 7.119 5.385 2.146 1.00 1.14 N ATOM 498 CA LYS A 32 6.379 5.147 0.862 1.00 1.21 C ATOM 499 C LYS A 32 7.152 4.149 0.010 1.00 1.10 C ATOM 500 O LYS A 32 6.604 3.215 -0.516 1.00 1.10 O ATOM 501 CB LYS A 32 6.234 6.418 0.044 1.00 1.36 C ATOM 502 CG LYS A 32 5.024 7.209 0.542 1.00 1.27 C ATOM 503 CD LYS A 32 5.340 8.705 0.518 1.00 1.34 C ATOM 504 CE LYS A 32 6.014 9.102 1.833 1.00 1.03 C ATOM 505 NZ LYS A 32 5.084 9.950 2.632 1.00 1.63 N ATOM 0 H LYS A 32 7.572 6.293 2.247 1.00 1.14 H new ATOM 0 HA LYS A 32 5.389 4.775 1.127 1.00 1.21 H new ATOM 0 HB2 LYS A 32 7.137 7.023 0.128 1.00 1.36 H new ATOM 0 HB3 LYS A 32 6.112 6.172 -1.011 1.00 1.36 H new ATOM 0 HG2 LYS A 32 4.158 7.000 -0.086 1.00 1.27 H new ATOM 0 HG3 LYS A 32 4.766 6.898 1.554 1.00 1.27 H new ATOM 0 HD2 LYS A 32 5.994 8.937 -0.323 1.00 1.34 H new ATOM 0 HD3 LYS A 32 4.424 9.279 0.378 1.00 1.34 H new ATOM 0 HE2 LYS A 32 6.286 8.211 2.398 1.00 1.03 H new ATOM 0 HE3 LYS A 32 6.937 9.646 1.631 1.00 1.03 H new ATOM 0 HZ1 LYS A 32 5.542 10.220 3.526 1.00 1.63 H new ATOM 0 HZ2 LYS A 32 4.845 10.807 2.093 1.00 1.63 H new ATOM 0 HZ3 LYS A 32 4.215 9.416 2.836 1.00 1.63 H new ATOM 519 N SER A 33 8.429 4.378 -0.125 1.00 1.04 N ATOM 520 CA SER A 33 9.306 3.496 -0.938 1.00 0.98 C ATOM 521 C SER A 33 9.421 2.149 -0.251 1.00 0.80 C ATOM 522 O SER A 33 9.511 1.127 -0.883 1.00 0.81 O ATOM 523 CB SER A 33 10.691 4.128 -1.067 1.00 1.00 C ATOM 524 OG SER A 33 10.565 5.422 -1.638 1.00 1.31 O ATOM 0 H SER A 33 8.913 5.164 0.309 1.00 1.04 H new ATOM 0 HA SER A 33 8.880 3.367 -1.933 1.00 0.98 H new ATOM 0 HB2 SER A 33 11.166 4.195 -0.088 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.332 3.504 -1.690 1.00 1.00 H new ATOM 0 HG SER A 33 11.452 5.831 -1.721 1.00 1.31 H new ATOM 530 N LEU A 34 9.417 2.149 1.044 1.00 0.70 N ATOM 531 CA LEU A 34 9.510 0.867 1.782 1.00 0.58 C ATOM 532 C LEU A 34 8.205 0.124 1.513 1.00 0.56 C ATOM 533 O LEU A 34 8.189 -1.030 1.132 1.00 0.63 O ATOM 534 CB LEU A 34 9.727 1.132 3.286 1.00 0.71 C ATOM 535 CG LEU A 34 10.117 -0.185 3.963 1.00 1.44 C ATOM 536 CD1 LEU A 34 11.283 -0.829 3.205 1.00 0.45 C ATOM 537 CD2 LEU A 34 10.539 0.082 5.402 1.00 3.31 C ATOM 0 H LEU A 34 9.353 2.983 1.627 1.00 0.70 H new ATOM 0 HA LEU A 34 10.359 0.267 1.454 1.00 0.58 H new ATOM 0 HB2 LEU A 34 10.509 1.877 3.430 1.00 0.71 H new ATOM 0 HB3 LEU A 34 8.818 1.533 3.734 1.00 0.71 H new ATOM 0 HG LEU A 34 9.260 -0.858 3.954 1.00 1.44 H new ATOM 0 HD11 LEU A 34 11.558 -1.766 3.689 1.00 0.45 H new ATOM 0 HD12 LEU A 34 10.983 -1.027 2.176 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.138 -0.153 3.210 1.00 0.45 H new ATOM 0 HD21 LEU A 34 10.816 -0.858 5.880 1.00 3.31 H new ATOM 0 HD22 LEU A 34 11.393 0.759 5.411 1.00 3.31 H new ATOM 0 HD23 LEU A 34 9.711 0.536 5.946 1.00 3.31 H new ATOM 549 N ARG A 35 7.113 0.819 1.622 1.00 0.62 N ATOM 550 CA ARG A 35 5.800 0.215 1.287 1.00 0.87 C ATOM 551 C ARG A 35 5.796 -0.002 -0.223 1.00 0.90 C ATOM 552 O ARG A 35 5.063 -0.808 -0.761 1.00 1.19 O ATOM 553 CB ARG A 35 4.671 1.181 1.656 1.00 1.04 C ATOM 554 CG ARG A 35 3.329 0.571 1.251 1.00 1.87 C ATOM 555 CD ARG A 35 2.328 1.685 0.937 1.00 2.48 C ATOM 556 NE ARG A 35 1.060 1.425 1.674 1.00 2.24 N ATOM 557 CZ ARG A 35 0.107 2.314 1.672 1.00 2.36 C ATOM 558 NH1 ARG A 35 0.345 3.532 1.264 1.00 2.91 N ATOM 559 NH2 ARG A 35 -1.090 1.985 2.076 1.00 2.58 N ATOM 0 H ARG A 35 7.074 1.790 1.932 1.00 0.62 H new ATOM 0 HA ARG A 35 5.649 -0.717 1.831 1.00 0.87 H new ATOM 0 HB2 ARG A 35 4.684 1.381 2.727 1.00 1.04 H new ATOM 0 HB3 ARG A 35 4.816 2.137 1.152 1.00 1.04 H new ATOM 0 HG2 ARG A 35 3.459 -0.070 0.379 1.00 1.87 H new ATOM 0 HG3 ARG A 35 2.947 -0.058 2.055 1.00 1.87 H new ATOM 0 HD2 ARG A 35 2.739 2.652 1.226 1.00 2.48 H new ATOM 0 HD3 ARG A 35 2.137 1.728 -0.135 1.00 2.48 H new ATOM 0 HE ARG A 35 0.937 0.549 2.182 1.00 2.24 H new ATOM 0 HH11 ARG A 35 1.279 3.790 0.946 1.00 2.91 H new ATOM 0 HH12 ARG A 35 -0.403 4.225 1.264 1.00 2.91 H new ATOM 0 HH21 ARG A 35 -1.278 1.034 2.392 1.00 2.58 H new ATOM 0 HH22 ARG A 35 -1.837 2.679 2.075 1.00 2.58 H new ATOM 573 N ALA A 36 6.630 0.744 -0.901 1.00 0.76 N ATOM 574 CA ALA A 36 6.733 0.650 -2.379 1.00 1.09 C ATOM 575 C ALA A 36 8.085 0.014 -2.727 1.00 0.95 C ATOM 576 O ALA A 36 8.654 0.287 -3.766 1.00 1.28 O ATOM 577 CB ALA A 36 6.658 2.072 -2.977 1.00 1.41 C ATOM 0 H ALA A 36 7.256 1.429 -0.477 1.00 0.76 H new ATOM 0 HA ALA A 36 5.922 0.045 -2.784 1.00 1.09 H new ATOM 0 HB1 ALA A 36 6.733 2.014 -4.063 1.00 1.41 H new ATOM 0 HB2 ALA A 36 5.709 2.533 -2.703 1.00 1.41 H new ATOM 0 HB3 ALA A 36 7.479 2.674 -2.588 1.00 1.41 H new ATOM 583 N GLY A 37 8.646 -0.778 -1.837 1.00 0.56 N ATOM 584 CA GLY A 37 9.998 -1.342 -2.118 1.00 0.52 C ATOM 585 C GLY A 37 9.974 -2.849 -2.320 1.00 0.48 C ATOM 586 O GLY A 37 9.324 -3.585 -1.605 1.00 0.48 O ATOM 0 H GLY A 37 8.231 -1.051 -0.946 1.00 0.56 H new ATOM 0 HA2 GLY A 37 10.408 -0.866 -3.009 1.00 0.52 H new ATOM 0 HA3 GLY A 37 10.667 -1.101 -1.292 1.00 0.52 H new ATOM 590 N LYS A 38 10.734 -3.308 -3.276 1.00 0.44 N ATOM 591 CA LYS A 38 10.832 -4.764 -3.528 1.00 0.41 C ATOM 592 C LYS A 38 12.299 -5.166 -3.338 1.00 0.33 C ATOM 593 O LYS A 38 13.164 -4.741 -4.079 1.00 0.28 O ATOM 594 CB LYS A 38 10.394 -5.070 -4.966 1.00 0.45 C ATOM 595 CG LYS A 38 8.982 -5.656 -4.963 1.00 1.57 C ATOM 596 CD LYS A 38 8.074 -4.807 -5.855 1.00 2.23 C ATOM 597 CE LYS A 38 7.774 -5.567 -7.149 1.00 3.08 C ATOM 598 NZ LYS A 38 8.702 -5.109 -8.222 1.00 4.43 N ATOM 0 H LYS A 38 11.295 -2.726 -3.897 1.00 0.44 H new ATOM 0 HA LYS A 38 10.189 -5.318 -2.844 1.00 0.41 H new ATOM 0 HB2 LYS A 38 10.419 -4.160 -5.565 1.00 0.45 H new ATOM 0 HB3 LYS A 38 11.089 -5.773 -5.426 1.00 0.45 H new ATOM 0 HG2 LYS A 38 9.003 -6.685 -5.322 1.00 1.57 H new ATOM 0 HG3 LYS A 38 8.590 -5.681 -3.946 1.00 1.57 H new ATOM 0 HD2 LYS A 38 7.146 -4.577 -5.332 1.00 2.23 H new ATOM 0 HD3 LYS A 38 8.556 -3.856 -6.083 1.00 2.23 H new ATOM 0 HE2 LYS A 38 7.888 -6.639 -6.988 1.00 3.08 H new ATOM 0 HE3 LYS A 38 6.740 -5.398 -7.451 1.00 3.08 H new ATOM 0 HZ1 LYS A 38 8.498 -5.626 -9.101 1.00 4.43 H new ATOM 0 HZ2 LYS A 38 8.572 -4.090 -8.381 1.00 4.43 H new ATOM 0 HZ3 LYS A 38 9.684 -5.292 -7.933 1.00 4.43 H new ATOM 612 N VAL A 39 12.591 -5.975 -2.360 1.00 0.32 N ATOM 613 CA VAL A 39 14.006 -6.390 -2.139 1.00 0.24 C ATOM 614 C VAL A 39 14.100 -7.892 -2.325 1.00 0.28 C ATOM 615 O VAL A 39 13.128 -8.607 -2.173 1.00 0.36 O ATOM 616 CB VAL A 39 14.448 -6.034 -0.715 1.00 0.32 C ATOM 617 CG1 VAL A 39 13.816 -7.017 0.270 1.00 0.45 C ATOM 618 CG2 VAL A 39 15.977 -6.115 -0.605 1.00 0.40 C ATOM 0 H VAL A 39 11.915 -6.367 -1.705 1.00 0.32 H new ATOM 0 HA VAL A 39 14.652 -5.872 -2.849 1.00 0.24 H new ATOM 0 HB VAL A 39 14.126 -5.019 -0.482 1.00 0.32 H new ATOM 0 HG11 VAL A 39 14.128 -6.767 1.284 1.00 0.45 H new ATOM 0 HG12 VAL A 39 12.730 -6.956 0.199 1.00 0.45 H new ATOM 0 HG13 VAL A 39 14.139 -8.030 0.030 1.00 0.45 H new ATOM 0 HG21 VAL A 39 16.283 -5.861 0.410 1.00 0.40 H new ATOM 0 HG22 VAL A 39 16.306 -7.127 -0.840 1.00 0.40 H new ATOM 0 HG23 VAL A 39 16.430 -5.415 -1.307 1.00 0.40 H new ATOM 628 N ASP A 40 15.254 -8.385 -2.642 1.00 0.25 N ATOM 629 CA ASP A 40 15.387 -9.849 -2.822 1.00 0.26 C ATOM 630 C ASP A 40 15.699 -10.478 -1.471 1.00 0.17 C ATOM 631 O ASP A 40 16.788 -10.340 -0.950 1.00 0.14 O ATOM 632 CB ASP A 40 16.522 -10.148 -3.806 1.00 0.29 C ATOM 633 CG ASP A 40 16.312 -9.339 -5.086 1.00 2.06 C ATOM 634 OD1 ASP A 40 16.738 -8.197 -5.118 1.00 3.81 O ATOM 635 OD2 ASP A 40 15.729 -9.876 -6.014 1.00 2.09 O ATOM 0 H ASP A 40 16.107 -7.844 -2.784 1.00 0.25 H new ATOM 0 HA ASP A 40 14.459 -10.261 -3.219 1.00 0.26 H new ATOM 0 HB2 ASP A 40 17.483 -9.896 -3.357 1.00 0.29 H new ATOM 0 HB3 ASP A 40 16.547 -11.213 -4.036 1.00 0.29 H new ATOM 640 N PHE A 41 14.766 -11.192 -0.908 1.00 0.13 N ATOM 641 CA PHE A 41 15.043 -11.845 0.394 1.00 0.06 C ATOM 642 C PHE A 41 15.501 -13.248 0.071 1.00 0.18 C ATOM 643 O PHE A 41 14.738 -14.049 -0.424 1.00 0.28 O ATOM 644 CB PHE A 41 13.776 -11.885 1.243 1.00 0.23 C ATOM 645 CG PHE A 41 13.826 -10.784 2.279 1.00 0.44 C ATOM 646 CD1 PHE A 41 15.022 -10.512 2.956 1.00 1.59 C ATOM 647 CD2 PHE A 41 12.685 -10.015 2.549 1.00 0.76 C ATOM 648 CE1 PHE A 41 15.073 -9.474 3.896 1.00 1.77 C ATOM 649 CE2 PHE A 41 12.740 -8.991 3.487 1.00 0.68 C ATOM 650 CZ PHE A 41 13.929 -8.714 4.160 1.00 0.83 C ATOM 0 H PHE A 41 13.834 -11.349 -1.290 1.00 0.13 H new ATOM 0 HA PHE A 41 15.799 -11.301 0.961 1.00 0.06 H new ATOM 0 HB2 PHE A 41 12.897 -11.763 0.610 1.00 0.23 H new ATOM 0 HB3 PHE A 41 13.684 -12.855 1.732 1.00 0.23 H new ATOM 0 HD1 PHE A 41 15.904 -11.102 2.754 1.00 1.59 H new ATOM 0 HD2 PHE A 41 11.762 -10.219 2.027 1.00 0.76 H new ATOM 0 HE1 PHE A 41 15.995 -9.261 4.416 1.00 1.77 H new ATOM 0 HE2 PHE A 41 11.856 -8.406 3.696 1.00 0.68 H new ATOM 0 HZ PHE A 41 13.967 -7.914 4.884 1.00 0.83 H new ATOM 660 N THR A 42 16.757 -13.499 0.313 1.00 0.28 N ATOM 661 CA THR A 42 17.407 -14.801 0.012 1.00 0.49 C ATOM 662 C THR A 42 18.708 -14.473 -0.700 1.00 0.66 C ATOM 663 O THR A 42 18.866 -13.384 -1.215 1.00 0.67 O ATOM 664 CB THR A 42 16.534 -15.668 -0.878 1.00 0.49 C ATOM 665 OG1 THR A 42 17.169 -16.922 -1.092 1.00 0.61 O ATOM 666 CG2 THR A 42 16.336 -14.955 -2.206 1.00 0.41 C ATOM 0 H THR A 42 17.389 -12.815 0.729 1.00 0.28 H new ATOM 0 HA THR A 42 17.575 -15.363 0.931 1.00 0.49 H new ATOM 0 HB THR A 42 15.568 -15.839 -0.403 1.00 0.49 H new ATOM 0 HG1 THR A 42 16.500 -17.637 -1.062 1.00 0.61 H new ATOM 0 HG21 THR A 42 15.710 -15.566 -2.857 1.00 0.41 H new ATOM 0 HG22 THR A 42 15.851 -13.994 -2.034 1.00 0.41 H new ATOM 0 HG23 THR A 42 17.304 -14.794 -2.680 1.00 0.41 H new ATOM 674 N GLY A 43 19.668 -15.357 -0.704 1.00 0.90 N ATOM 675 CA GLY A 43 20.957 -14.987 -1.346 1.00 1.13 C ATOM 676 C GLY A 43 21.340 -13.632 -0.752 1.00 0.97 C ATOM 677 O GLY A 43 22.020 -12.826 -1.356 1.00 1.10 O ATOM 0 H GLY A 43 19.619 -16.293 -0.302 1.00 0.90 H new ATOM 0 HA2 GLY A 43 21.724 -15.734 -1.143 1.00 1.13 H new ATOM 0 HA3 GLY A 43 20.851 -14.924 -2.429 1.00 1.13 H new ATOM 681 N SER A 44 20.860 -13.388 0.442 1.00 0.73 N ATOM 682 CA SER A 44 21.113 -12.108 1.146 1.00 0.58 C ATOM 683 C SER A 44 21.994 -12.396 2.360 1.00 0.37 C ATOM 684 O SER A 44 22.061 -13.518 2.821 1.00 0.35 O ATOM 685 CB SER A 44 19.757 -11.553 1.592 1.00 0.48 C ATOM 686 OG SER A 44 19.333 -10.554 0.674 1.00 2.67 O ATOM 0 H SER A 44 20.287 -14.048 0.968 1.00 0.73 H new ATOM 0 HA SER A 44 21.616 -11.384 0.505 1.00 0.58 H new ATOM 0 HB2 SER A 44 19.021 -12.355 1.640 1.00 0.48 H new ATOM 0 HB3 SER A 44 19.835 -11.132 2.594 1.00 0.48 H new ATOM 0 HG SER A 44 18.458 -10.798 0.306 1.00 2.67 H new ATOM 692 N PHE A 45 22.677 -11.417 2.894 1.00 0.29 N ATOM 693 CA PHE A 45 23.538 -11.703 4.070 1.00 0.13 C ATOM 694 C PHE A 45 23.599 -10.483 4.963 1.00 0.28 C ATOM 695 O PHE A 45 23.405 -9.380 4.525 1.00 0.43 O ATOM 696 CB PHE A 45 24.944 -12.076 3.607 1.00 0.21 C ATOM 697 CG PHE A 45 24.850 -13.303 2.741 1.00 0.26 C ATOM 698 CD1 PHE A 45 24.837 -14.572 3.323 1.00 1.07 C ATOM 699 CD2 PHE A 45 24.763 -13.165 1.356 1.00 0.38 C ATOM 700 CE1 PHE A 45 24.733 -15.707 2.515 1.00 1.33 C ATOM 701 CE2 PHE A 45 24.661 -14.291 0.544 1.00 0.42 C ATOM 702 CZ PHE A 45 24.643 -15.569 1.122 1.00 0.84 C ATOM 0 H PHE A 45 22.675 -10.450 2.571 1.00 0.29 H new ATOM 0 HA PHE A 45 23.116 -12.538 4.629 1.00 0.13 H new ATOM 0 HB2 PHE A 45 25.391 -11.252 3.050 1.00 0.21 H new ATOM 0 HB3 PHE A 45 25.588 -12.266 4.466 1.00 0.21 H new ATOM 0 HD1 PHE A 45 24.907 -14.676 4.396 1.00 1.07 H new ATOM 0 HD2 PHE A 45 24.775 -12.181 0.912 1.00 0.38 H new ATOM 0 HE1 PHE A 45 24.722 -16.690 2.963 1.00 1.33 H new ATOM 0 HE2 PHE A 45 24.596 -14.181 -0.528 1.00 0.42 H new ATOM 0 HZ PHE A 45 24.560 -16.445 0.496 1.00 0.84 H new ATOM 712 N ALA A 46 23.866 -10.691 6.209 1.00 0.26 N ATOM 713 CA ALA A 46 23.952 -9.570 7.177 1.00 0.39 C ATOM 714 C ALA A 46 25.373 -9.527 7.732 1.00 0.38 C ATOM 715 O ALA A 46 26.027 -10.544 7.844 1.00 0.45 O ATOM 716 CB ALA A 46 22.961 -9.801 8.318 1.00 0.68 C ATOM 0 H ALA A 46 24.033 -11.613 6.612 1.00 0.26 H new ATOM 0 HA ALA A 46 23.711 -8.627 6.686 1.00 0.39 H new ATOM 0 HB1 ALA A 46 23.025 -8.977 9.028 1.00 0.68 H new ATOM 0 HB2 ALA A 46 21.949 -9.855 7.916 1.00 0.68 H new ATOM 0 HB3 ALA A 46 23.201 -10.736 8.824 1.00 0.68 H new ATOM 722 N ARG A 47 25.872 -8.378 8.080 1.00 0.33 N ATOM 723 CA ARG A 47 27.254 -8.341 8.617 1.00 0.38 C ATOM 724 C ARG A 47 27.149 -8.057 10.110 1.00 0.41 C ATOM 725 O ARG A 47 26.372 -7.233 10.548 1.00 0.43 O ATOM 726 CB ARG A 47 28.053 -7.238 7.913 1.00 0.30 C ATOM 727 CG ARG A 47 28.409 -6.136 8.916 1.00 0.73 C ATOM 728 CD ARG A 47 29.382 -5.149 8.269 1.00 1.06 C ATOM 729 NE ARG A 47 30.781 -5.557 8.583 1.00 0.77 N ATOM 730 CZ ARG A 47 31.765 -5.148 7.832 1.00 1.13 C ATOM 731 NH1 ARG A 47 31.602 -4.118 7.048 1.00 1.01 N ATOM 732 NH2 ARG A 47 32.913 -5.768 7.867 1.00 1.70 N ATOM 0 H ARG A 47 25.393 -7.479 8.018 1.00 0.33 H new ATOM 0 HA ARG A 47 27.769 -9.287 8.447 1.00 0.38 H new ATOM 0 HB2 ARG A 47 28.962 -7.655 7.479 1.00 0.30 H new ATOM 0 HB3 ARG A 47 27.470 -6.821 7.092 1.00 0.30 H new ATOM 0 HG2 ARG A 47 27.506 -5.616 9.236 1.00 0.73 H new ATOM 0 HG3 ARG A 47 28.858 -6.573 9.808 1.00 0.73 H new ATOM 0 HD2 ARG A 47 29.231 -5.127 7.190 1.00 1.06 H new ATOM 0 HD3 ARG A 47 29.194 -4.141 8.638 1.00 1.06 H new ATOM 0 HE ARG A 47 30.969 -6.157 9.386 1.00 0.77 H new ATOM 0 HH11 ARG A 47 30.705 -3.633 7.023 1.00 1.01 H new ATOM 0 HH12 ARG A 47 32.372 -3.798 6.460 1.00 1.01 H new ATOM 0 HH21 ARG A 47 33.040 -6.572 8.482 1.00 1.70 H new ATOM 0 HH22 ARG A 47 33.683 -5.449 7.280 1.00 1.70 H new ATOM 746 N PHE A 48 27.885 -8.791 10.899 1.00 0.41 N ATOM 747 CA PHE A 48 27.787 -8.635 12.360 1.00 0.44 C ATOM 748 C PHE A 48 29.048 -7.985 12.921 1.00 0.44 C ATOM 749 O PHE A 48 30.110 -8.567 13.015 1.00 0.48 O ATOM 750 CB PHE A 48 27.545 -10.021 12.976 1.00 0.45 C ATOM 751 CG PHE A 48 28.745 -10.488 13.763 1.00 0.72 C ATOM 752 CD1 PHE A 48 29.822 -11.093 13.102 1.00 1.51 C ATOM 753 CD2 PHE A 48 28.782 -10.319 15.151 1.00 1.07 C ATOM 754 CE1 PHE A 48 30.937 -11.526 13.832 1.00 2.16 C ATOM 755 CE2 PHE A 48 29.895 -10.752 15.880 1.00 1.85 C ATOM 756 CZ PHE A 48 30.972 -11.354 15.221 1.00 2.28 C ATOM 0 H PHE A 48 28.552 -9.495 10.583 1.00 0.41 H new ATOM 0 HA PHE A 48 26.956 -7.977 12.612 1.00 0.44 H new ATOM 0 HB2 PHE A 48 26.672 -9.984 13.627 1.00 0.45 H new ATOM 0 HB3 PHE A 48 27.324 -10.739 12.186 1.00 0.45 H new ATOM 0 HD1 PHE A 48 29.793 -11.226 12.031 1.00 1.51 H new ATOM 0 HD2 PHE A 48 27.951 -9.854 15.660 1.00 1.07 H new ATOM 0 HE1 PHE A 48 31.768 -11.992 13.324 1.00 2.16 H new ATOM 0 HE2 PHE A 48 29.923 -10.621 16.952 1.00 1.85 H new ATOM 0 HZ PHE A 48 31.831 -11.686 15.784 1.00 2.28 H new ATOM 766 N GLU A 49 28.909 -6.766 13.301 1.00 0.41 N ATOM 767 CA GLU A 49 30.050 -6.026 13.888 1.00 0.40 C ATOM 768 C GLU A 49 29.796 -5.886 15.390 1.00 0.35 C ATOM 769 O GLU A 49 30.287 -4.979 16.033 1.00 0.44 O ATOM 770 CB GLU A 49 30.149 -4.639 13.249 1.00 0.48 C ATOM 771 CG GLU A 49 31.602 -4.366 12.858 1.00 1.02 C ATOM 772 CD GLU A 49 31.642 -3.433 11.647 1.00 0.67 C ATOM 773 OE1 GLU A 49 30.581 -3.033 11.198 1.00 0.92 O ATOM 774 OE2 GLU A 49 32.733 -3.136 11.190 1.00 1.36 O ATOM 0 H GLU A 49 28.041 -6.234 13.232 1.00 0.41 H new ATOM 0 HA GLU A 49 30.983 -6.560 13.708 1.00 0.40 H new ATOM 0 HB2 GLU A 49 29.507 -4.584 12.370 1.00 0.48 H new ATOM 0 HB3 GLU A 49 29.799 -3.878 13.947 1.00 0.48 H new ATOM 0 HG2 GLU A 49 32.136 -3.915 13.695 1.00 1.02 H new ATOM 0 HG3 GLU A 49 32.108 -5.303 12.625 1.00 1.02 H new ATOM 781 N ASP A 50 29.011 -6.776 15.952 1.00 0.24 N ATOM 782 CA ASP A 50 28.707 -6.688 17.408 1.00 0.31 C ATOM 783 C ASP A 50 28.377 -5.232 17.728 1.00 0.45 C ATOM 784 O ASP A 50 28.820 -4.681 18.715 1.00 0.24 O ATOM 785 CB ASP A 50 29.931 -7.123 18.222 1.00 0.26 C ATOM 786 CG ASP A 50 30.599 -8.330 17.558 1.00 0.36 C ATOM 787 OD1 ASP A 50 30.874 -8.255 16.371 1.00 1.36 O ATOM 788 OD2 ASP A 50 30.834 -9.305 18.252 1.00 1.66 O ATOM 0 H ASP A 50 28.571 -7.556 15.463 1.00 0.24 H new ATOM 0 HA ASP A 50 27.869 -7.339 17.660 1.00 0.31 H new ATOM 0 HB2 ASP A 50 30.641 -6.299 18.296 1.00 0.26 H new ATOM 0 HB3 ASP A 50 29.631 -7.377 19.239 1.00 0.26 H new ATOM 793 N GLY A 51 27.613 -4.607 16.880 1.00 0.87 N ATOM 794 CA GLY A 51 27.250 -3.182 17.096 1.00 1.07 C ATOM 795 C GLY A 51 26.407 -2.705 15.914 1.00 1.04 C ATOM 796 O GLY A 51 25.473 -1.941 16.069 1.00 1.07 O ATOM 0 H GLY A 51 27.221 -5.027 16.038 1.00 0.87 H new ATOM 0 HA2 GLY A 51 26.693 -3.071 18.026 1.00 1.07 H new ATOM 0 HA3 GLY A 51 28.149 -2.573 17.189 1.00 1.07 H new ATOM 800 N GLU A 52 26.734 -3.145 14.730 1.00 1.00 N ATOM 801 CA GLU A 52 25.954 -2.713 13.538 1.00 0.98 C ATOM 802 C GLU A 52 25.640 -3.919 12.643 1.00 0.94 C ATOM 803 O GLU A 52 26.526 -4.620 12.196 1.00 1.21 O ATOM 804 CB GLU A 52 26.774 -1.688 12.753 1.00 0.99 C ATOM 805 CG GLU A 52 27.406 -0.691 13.729 1.00 1.61 C ATOM 806 CD GLU A 52 28.276 0.303 12.960 1.00 1.50 C ATOM 807 OE1 GLU A 52 29.442 0.009 12.755 1.00 1.52 O ATOM 808 OE2 GLU A 52 27.760 1.346 12.591 1.00 1.87 O ATOM 0 H GLU A 52 27.506 -3.783 14.537 1.00 1.00 H new ATOM 0 HA GLU A 52 25.014 -2.267 13.863 1.00 0.98 H new ATOM 0 HB2 GLU A 52 27.550 -2.191 12.176 1.00 0.99 H new ATOM 0 HB3 GLU A 52 26.137 -1.163 12.041 1.00 0.99 H new ATOM 0 HG2 GLU A 52 26.627 -0.160 14.276 1.00 1.61 H new ATOM 0 HG3 GLU A 52 28.008 -1.222 14.466 1.00 1.61 H new ATOM 815 N LEU A 53 24.385 -4.140 12.343 1.00 0.65 N ATOM 816 CA LEU A 53 24.018 -5.261 11.443 1.00 0.63 C ATOM 817 C LEU A 53 23.416 -4.653 10.190 1.00 0.16 C ATOM 818 O LEU A 53 22.273 -4.242 10.157 1.00 0.32 O ATOM 819 CB LEU A 53 23.001 -6.205 12.086 1.00 0.95 C ATOM 820 CG LEU A 53 22.785 -7.393 11.142 1.00 1.17 C ATOM 821 CD1 LEU A 53 22.705 -8.694 11.938 1.00 0.77 C ATOM 822 CD2 LEU A 53 21.487 -7.193 10.363 1.00 1.43 C ATOM 0 H LEU A 53 23.600 -3.587 12.687 1.00 0.65 H new ATOM 0 HA LEU A 53 24.908 -5.850 11.223 1.00 0.63 H new ATOM 0 HB2 LEU A 53 23.363 -6.550 13.055 1.00 0.95 H new ATOM 0 HB3 LEU A 53 22.060 -5.685 12.264 1.00 0.95 H new ATOM 0 HG LEU A 53 23.625 -7.453 10.450 1.00 1.17 H new ATOM 0 HD11 LEU A 53 22.551 -9.530 11.255 1.00 0.77 H new ATOM 0 HD12 LEU A 53 23.634 -8.841 12.489 1.00 0.77 H new ATOM 0 HD13 LEU A 53 21.872 -8.641 12.639 1.00 0.77 H new ATOM 0 HD21 LEU A 53 21.332 -8.037 9.691 1.00 1.43 H new ATOM 0 HD22 LEU A 53 20.651 -7.125 11.060 1.00 1.43 H new ATOM 0 HD23 LEU A 53 21.550 -6.273 9.781 1.00 1.43 H new ATOM 834 N TYR A 54 24.200 -4.568 9.179 1.00 0.32 N ATOM 835 CA TYR A 54 23.744 -3.959 7.904 1.00 0.53 C ATOM 836 C TYR A 54 23.133 -5.011 6.998 1.00 0.46 C ATOM 837 O TYR A 54 23.722 -6.055 6.787 1.00 0.22 O ATOM 838 CB TYR A 54 24.972 -3.421 7.172 1.00 0.90 C ATOM 839 CG TYR A 54 25.707 -2.431 8.047 1.00 0.82 C ATOM 840 CD1 TYR A 54 26.690 -2.873 8.941 1.00 0.82 C ATOM 841 CD2 TYR A 54 25.411 -1.067 7.957 1.00 0.77 C ATOM 842 CE1 TYR A 54 27.375 -1.953 9.745 1.00 0.78 C ATOM 843 CE2 TYR A 54 26.094 -0.145 8.761 1.00 0.69 C ATOM 844 CZ TYR A 54 27.075 -0.589 9.654 1.00 0.69 C ATOM 845 OH TYR A 54 27.748 0.320 10.443 1.00 0.66 O ATOM 0 H TYR A 54 25.164 -4.900 9.171 1.00 0.32 H new ATOM 0 HA TYR A 54 23.013 -3.183 8.129 1.00 0.53 H new ATOM 0 HB2 TYR A 54 25.635 -4.244 6.905 1.00 0.90 H new ATOM 0 HB3 TYR A 54 24.669 -2.941 6.242 1.00 0.90 H new ATOM 0 HD1 TYR A 54 26.921 -3.926 9.011 1.00 0.82 H new ATOM 0 HD2 TYR A 54 24.655 -0.724 7.267 1.00 0.77 H new ATOM 0 HE1 TYR A 54 28.133 -2.296 10.434 1.00 0.78 H new ATOM 0 HE2 TYR A 54 25.863 0.908 8.691 1.00 0.69 H new ATOM 0 HH TYR A 54 27.119 0.743 11.064 1.00 0.66 H new ATOM 855 N LEU A 55 22.018 -4.744 6.362 1.00 0.93 N ATOM 856 CA LEU A 55 21.562 -5.763 5.421 1.00 1.04 C ATOM 857 C LEU A 55 22.664 -5.695 4.371 1.00 0.93 C ATOM 858 O LEU A 55 22.933 -4.656 3.804 1.00 1.62 O ATOM 859 CB LEU A 55 20.132 -5.508 4.882 1.00 1.97 C ATOM 860 CG LEU A 55 20.072 -4.323 3.936 1.00 0.47 C ATOM 861 CD1 LEU A 55 20.762 -4.658 2.616 1.00 2.90 C ATOM 862 CD2 LEU A 55 18.604 -3.958 3.667 1.00 1.59 C ATOM 0 H LEU A 55 21.443 -3.907 6.457 1.00 0.93 H new ATOM 0 HA LEU A 55 21.439 -6.757 5.851 1.00 1.04 H new ATOM 0 HB2 LEU A 55 19.777 -6.400 4.365 1.00 1.97 H new ATOM 0 HB3 LEU A 55 19.457 -5.335 5.720 1.00 1.97 H new ATOM 0 HG LEU A 55 20.585 -3.479 4.397 1.00 0.47 H new ATOM 0 HD11 LEU A 55 20.710 -3.797 1.949 1.00 2.90 H new ATOM 0 HD12 LEU A 55 21.806 -4.908 2.804 1.00 2.90 H new ATOM 0 HD13 LEU A 55 20.264 -5.508 2.150 1.00 2.90 H new ATOM 0 HD21 LEU A 55 18.559 -3.107 2.988 1.00 1.59 H new ATOM 0 HD22 LEU A 55 18.094 -4.809 3.216 1.00 1.59 H new ATOM 0 HD23 LEU A 55 18.116 -3.698 4.606 1.00 1.59 H new ATOM 874 N GLU A 56 23.403 -6.740 4.213 1.00 0.51 N ATOM 875 CA GLU A 56 24.576 -6.676 3.304 1.00 0.57 C ATOM 876 C GLU A 56 24.192 -7.100 1.895 1.00 0.78 C ATOM 877 O GLU A 56 24.216 -6.303 0.977 1.00 1.39 O ATOM 878 CB GLU A 56 25.685 -7.570 3.872 1.00 0.45 C ATOM 879 CG GLU A 56 26.546 -8.122 2.731 1.00 0.83 C ATOM 880 CD GLU A 56 27.699 -8.940 3.318 1.00 1.04 C ATOM 881 OE1 GLU A 56 28.035 -8.710 4.467 1.00 1.09 O ATOM 882 OE2 GLU A 56 28.223 -9.783 2.609 1.00 1.57 O ATOM 0 H GLU A 56 23.252 -7.639 4.670 1.00 0.51 H new ATOM 0 HA GLU A 56 24.938 -5.650 3.241 1.00 0.57 H new ATOM 0 HB2 GLU A 56 26.305 -7.000 4.564 1.00 0.45 H new ATOM 0 HB3 GLU A 56 25.247 -8.392 4.439 1.00 0.45 H new ATOM 0 HG2 GLU A 56 25.941 -8.745 2.072 1.00 0.83 H new ATOM 0 HG3 GLU A 56 26.936 -7.304 2.126 1.00 0.83 H new ATOM 889 N ASN A 57 23.841 -8.332 1.695 1.00 0.26 N ATOM 890 CA ASN A 57 23.469 -8.749 0.323 1.00 0.41 C ATOM 891 C ASN A 57 21.990 -8.439 0.088 1.00 0.52 C ATOM 892 O ASN A 57 21.464 -8.683 -0.979 1.00 0.91 O ATOM 893 CB ASN A 57 23.753 -10.241 0.133 1.00 0.47 C ATOM 894 CG ASN A 57 25.110 -10.410 -0.555 1.00 0.65 C ATOM 895 OD1 ASN A 57 26.142 -10.294 0.077 1.00 1.23 O ATOM 896 ND2 ASN A 57 25.155 -10.681 -1.832 1.00 1.11 N ATOM 0 H ASN A 57 23.795 -9.059 2.409 1.00 0.26 H new ATOM 0 HA ASN A 57 24.065 -8.198 -0.405 1.00 0.41 H new ATOM 0 HB2 ASN A 57 23.755 -10.749 1.097 1.00 0.47 H new ATOM 0 HB3 ASN A 57 22.967 -10.700 -0.468 1.00 0.47 H new ATOM 0 HD21 ASN A 57 26.055 -10.795 -2.298 1.00 1.11 H new ATOM 0 HD22 ASN A 57 24.290 -10.779 -2.363 1.00 1.11 H new ATOM 903 N LEU A 58 21.312 -7.875 1.062 1.00 0.43 N ATOM 904 CA LEU A 58 19.882 -7.538 0.836 1.00 0.45 C ATOM 905 C LEU A 58 19.835 -6.485 -0.272 1.00 0.14 C ATOM 906 O LEU A 58 20.139 -5.331 -0.060 1.00 0.38 O ATOM 907 CB LEU A 58 19.254 -6.972 2.122 1.00 0.76 C ATOM 908 CG LEU A 58 18.072 -7.854 2.548 1.00 1.45 C ATOM 909 CD1 LEU A 58 17.194 -7.092 3.541 1.00 2.07 C ATOM 910 CD2 LEU A 58 17.231 -8.219 1.322 1.00 1.41 C ATOM 0 H LEU A 58 21.683 -7.640 1.983 1.00 0.43 H new ATOM 0 HA LEU A 58 19.320 -8.428 0.554 1.00 0.45 H new ATOM 0 HB2 LEU A 58 19.999 -6.935 2.917 1.00 0.76 H new ATOM 0 HB3 LEU A 58 18.916 -5.949 1.954 1.00 0.76 H new ATOM 0 HG LEU A 58 18.456 -8.761 3.014 1.00 1.45 H new ATOM 0 HD11 LEU A 58 16.356 -7.720 3.842 1.00 2.07 H new ATOM 0 HD12 LEU A 58 17.783 -6.828 4.419 1.00 2.07 H new ATOM 0 HD13 LEU A 58 16.817 -6.184 3.071 1.00 2.07 H new ATOM 0 HD21 LEU A 58 16.393 -8.845 1.629 1.00 1.41 H new ATOM 0 HD22 LEU A 58 16.853 -7.309 0.856 1.00 1.41 H new ATOM 0 HD23 LEU A 58 17.848 -8.763 0.607 1.00 1.41 H new ATOM 922 N TYR A 59 19.497 -6.872 -1.463 1.00 0.36 N ATOM 923 CA TYR A 59 19.481 -5.882 -2.572 1.00 0.59 C ATOM 924 C TYR A 59 18.106 -5.236 -2.687 1.00 0.49 C ATOM 925 O TYR A 59 17.126 -5.886 -2.997 1.00 0.60 O ATOM 926 CB TYR A 59 19.839 -6.588 -3.873 1.00 0.92 C ATOM 927 CG TYR A 59 21.335 -6.774 -3.925 1.00 0.76 C ATOM 928 CD1 TYR A 59 22.103 -6.603 -2.762 1.00 0.72 C ATOM 929 CD2 TYR A 59 21.956 -7.117 -5.130 1.00 0.70 C ATOM 930 CE1 TYR A 59 23.489 -6.778 -2.810 1.00 0.64 C ATOM 931 CE2 TYR A 59 23.344 -7.289 -5.177 1.00 0.62 C ATOM 932 CZ TYR A 59 24.111 -7.120 -4.017 1.00 0.61 C ATOM 933 OH TYR A 59 25.480 -7.296 -4.062 1.00 0.63 O ATOM 0 H TYR A 59 19.232 -7.823 -1.719 1.00 0.36 H new ATOM 0 HA TYR A 59 20.210 -5.098 -2.368 1.00 0.59 H new ATOM 0 HB2 TYR A 59 19.336 -7.553 -3.930 1.00 0.92 H new ATOM 0 HB3 TYR A 59 19.501 -6.001 -4.727 1.00 0.92 H new ATOM 0 HD1 TYR A 59 21.624 -6.337 -1.832 1.00 0.72 H new ATOM 0 HD2 TYR A 59 21.365 -7.249 -6.024 1.00 0.70 H new ATOM 0 HE1 TYR A 59 24.080 -6.649 -1.916 1.00 0.64 H new ATOM 0 HE2 TYR A 59 23.824 -7.552 -6.108 1.00 0.62 H new ATOM 0 HH TYR A 59 25.750 -7.531 -4.974 1.00 0.63 H new ATOM 943 N ILE A 60 18.027 -3.956 -2.443 1.00 0.43 N ATOM 944 CA ILE A 60 16.718 -3.258 -2.542 1.00 0.47 C ATOM 945 C ILE A 60 16.585 -2.641 -3.935 1.00 0.65 C ATOM 946 O ILE A 60 17.239 -1.669 -4.260 1.00 0.52 O ATOM 947 CB ILE A 60 16.642 -2.156 -1.479 1.00 0.60 C ATOM 948 CG1 ILE A 60 17.122 -2.710 -0.133 1.00 0.66 C ATOM 949 CG2 ILE A 60 15.197 -1.676 -1.349 1.00 0.58 C ATOM 950 CD1 ILE A 60 18.610 -2.402 0.037 1.00 1.04 C ATOM 0 H ILE A 60 18.815 -3.365 -2.179 1.00 0.43 H new ATOM 0 HA ILE A 60 15.908 -3.969 -2.378 1.00 0.47 H new ATOM 0 HB ILE A 60 17.277 -1.321 -1.773 1.00 0.60 H new ATOM 0 HG12 ILE A 60 16.551 -2.264 0.681 1.00 0.66 H new ATOM 0 HG13 ILE A 60 16.954 -3.786 -0.089 1.00 0.66 H new ATOM 0 HG21 ILE A 60 15.141 -0.892 -0.594 1.00 0.58 H new ATOM 0 HG22 ILE A 60 14.857 -1.282 -2.307 1.00 0.58 H new ATOM 0 HG23 ILE A 60 14.561 -2.511 -1.054 1.00 0.58 H new ATOM 0 HD11 ILE A 60 18.956 -2.794 0.993 1.00 1.04 H new ATOM 0 HD12 ILE A 60 19.173 -2.869 -0.772 1.00 1.04 H new ATOM 0 HD13 ILE A 60 18.764 -1.323 0.011 1.00 1.04 H new ATOM 962 N ALA A 61 15.739 -3.197 -4.761 1.00 0.94 N ATOM 963 CA ALA A 61 15.562 -2.643 -6.133 1.00 1.12 C ATOM 964 C ALA A 61 14.166 -2.021 -6.239 1.00 1.22 C ATOM 965 O ALA A 61 13.189 -2.726 -6.394 1.00 1.22 O ATOM 966 CB ALA A 61 15.699 -3.770 -7.159 1.00 1.08 C ATOM 0 H ALA A 61 15.163 -4.011 -4.544 1.00 0.94 H new ATOM 0 HA ALA A 61 16.321 -1.885 -6.328 1.00 1.12 H new ATOM 0 HB1 ALA A 61 15.570 -3.366 -8.163 1.00 1.08 H new ATOM 0 HB2 ALA A 61 16.688 -4.221 -7.074 1.00 1.08 H new ATOM 0 HB3 ALA A 61 14.937 -4.527 -6.972 1.00 1.08 H new ATOM 972 N PRO A 62 14.114 -0.717 -6.144 1.00 1.34 N ATOM 973 CA PRO A 62 12.849 0.034 -6.214 1.00 1.47 C ATOM 974 C PRO A 62 12.391 0.216 -7.671 1.00 1.65 C ATOM 975 O PRO A 62 11.254 -0.050 -8.006 1.00 1.80 O ATOM 976 CB PRO A 62 13.205 1.385 -5.585 1.00 1.48 C ATOM 977 CG PRO A 62 14.740 1.541 -5.724 1.00 1.45 C ATOM 978 CD PRO A 62 15.308 0.127 -5.945 1.00 1.37 C ATOM 0 HA PRO A 62 12.028 -0.473 -5.708 1.00 1.47 H new ATOM 0 HB2 PRO A 62 12.685 2.198 -6.091 1.00 1.48 H new ATOM 0 HB3 PRO A 62 12.905 1.417 -4.538 1.00 1.48 H new ATOM 0 HG2 PRO A 62 14.989 2.194 -6.561 1.00 1.45 H new ATOM 0 HG3 PRO A 62 15.166 1.994 -4.829 1.00 1.45 H new ATOM 0 HD2 PRO A 62 15.968 0.094 -6.812 1.00 1.37 H new ATOM 0 HD3 PRO A 62 15.892 -0.206 -5.087 1.00 1.37 H new ATOM 986 N TYR A 63 13.260 0.670 -8.539 1.00 1.67 N ATOM 987 CA TYR A 63 12.851 0.870 -9.965 1.00 1.87 C ATOM 988 C TYR A 63 14.092 0.870 -10.860 1.00 1.86 C ATOM 989 O TYR A 63 14.189 1.630 -11.802 1.00 2.16 O ATOM 990 CB TYR A 63 12.123 2.212 -10.108 1.00 2.34 C ATOM 991 CG TYR A 63 11.568 2.352 -11.502 1.00 3.09 C ATOM 992 CD1 TYR A 63 10.760 1.346 -12.045 1.00 3.65 C ATOM 993 CD2 TYR A 63 11.859 3.497 -12.253 1.00 3.42 C ATOM 994 CE1 TYR A 63 10.242 1.487 -13.338 1.00 4.35 C ATOM 995 CE2 TYR A 63 11.341 3.638 -13.544 1.00 4.14 C ATOM 996 CZ TYR A 63 10.534 2.633 -14.089 1.00 4.54 C ATOM 997 OH TYR A 63 10.022 2.773 -15.364 1.00 5.27 O ATOM 0 H TYR A 63 14.228 0.910 -8.325 1.00 1.67 H new ATOM 0 HA TYR A 63 12.186 0.060 -10.265 1.00 1.87 H new ATOM 0 HB2 TYR A 63 11.316 2.277 -9.378 1.00 2.34 H new ATOM 0 HB3 TYR A 63 12.810 3.032 -9.897 1.00 2.34 H new ATOM 0 HD1 TYR A 63 10.536 0.462 -11.467 1.00 3.65 H new ATOM 0 HD2 TYR A 63 12.484 4.272 -11.835 1.00 3.42 H new ATOM 0 HE1 TYR A 63 9.617 0.712 -13.757 1.00 4.35 H new ATOM 0 HE2 TYR A 63 11.564 4.523 -14.121 1.00 4.14 H new ATOM 0 HH TYR A 63 10.320 3.625 -15.744 1.00 5.27 H new ATOM 1007 N GLU A 64 15.038 0.022 -10.576 1.00 1.61 N ATOM 1008 CA GLU A 64 16.268 -0.025 -11.414 1.00 1.75 C ATOM 1009 C GLU A 64 16.162 -1.185 -12.410 1.00 1.61 C ATOM 1010 O GLU A 64 15.700 -2.259 -12.079 1.00 1.22 O ATOM 1011 CB GLU A 64 17.487 -0.230 -10.514 1.00 1.69 C ATOM 1012 CG GLU A 64 17.475 -1.652 -9.953 1.00 3.79 C ATOM 1013 CD GLU A 64 18.607 -1.810 -8.935 1.00 4.02 C ATOM 1014 OE1 GLU A 64 19.707 -2.138 -9.348 1.00 5.70 O ATOM 1015 OE2 GLU A 64 18.354 -1.601 -7.760 1.00 2.59 O ATOM 0 H GLU A 64 15.014 -0.640 -9.801 1.00 1.61 H new ATOM 0 HA GLU A 64 16.375 0.912 -11.961 1.00 1.75 H new ATOM 0 HB2 GLU A 64 18.403 -0.059 -11.080 1.00 1.69 H new ATOM 0 HB3 GLU A 64 17.476 0.494 -9.699 1.00 1.69 H new ATOM 0 HG2 GLU A 64 16.515 -1.859 -9.480 1.00 3.79 H new ATOM 0 HG3 GLU A 64 17.595 -2.374 -10.761 1.00 3.79 H new ATOM 1022 N LYS A 65 16.580 -0.974 -13.627 1.00 3.13 N ATOM 1023 CA LYS A 65 16.498 -2.063 -14.643 1.00 3.04 C ATOM 1024 C LYS A 65 17.313 -1.674 -15.879 1.00 2.83 C ATOM 1025 O LYS A 65 17.990 -2.493 -16.471 1.00 2.92 O ATOM 1026 CB LYS A 65 15.035 -2.273 -15.046 1.00 2.81 C ATOM 1027 CG LYS A 65 14.649 -3.741 -14.842 1.00 4.47 C ATOM 1028 CD LYS A 65 13.813 -3.877 -13.567 1.00 5.16 C ATOM 1029 CE LYS A 65 12.502 -4.600 -13.887 1.00 6.58 C ATOM 1030 NZ LYS A 65 11.375 -3.914 -13.192 1.00 6.30 N ATOM 0 H LYS A 65 16.975 -0.096 -13.963 1.00 3.13 H new ATOM 0 HA LYS A 65 16.898 -2.984 -14.220 1.00 3.04 H new ATOM 0 HB2 LYS A 65 14.388 -1.630 -14.449 1.00 2.81 H new ATOM 0 HB3 LYS A 65 14.891 -1.991 -16.089 1.00 2.81 H new ATOM 0 HG2 LYS A 65 14.083 -4.102 -15.701 1.00 4.47 H new ATOM 0 HG3 LYS A 65 15.545 -4.357 -14.769 1.00 4.47 H new ATOM 0 HD2 LYS A 65 14.371 -4.431 -12.812 1.00 5.16 H new ATOM 0 HD3 LYS A 65 13.604 -2.892 -13.150 1.00 5.16 H new ATOM 0 HE2 LYS A 65 12.330 -4.606 -14.963 1.00 6.58 H new ATOM 0 HE3 LYS A 65 12.561 -5.641 -13.568 1.00 6.58 H new ATOM 0 HZ1 LYS A 65 10.484 -4.404 -13.409 1.00 6.30 H new ATOM 0 HZ2 LYS A 65 11.539 -3.931 -12.165 1.00 6.30 H new ATOM 0 HZ3 LYS A 65 11.316 -2.928 -13.517 1.00 6.30 H new ATOM 1044 N GLY A 66 17.252 -0.432 -16.275 1.00 2.60 N ATOM 1045 CA GLY A 66 18.021 0.008 -17.475 1.00 2.50 C ATOM 1046 C GLY A 66 19.502 -0.329 -17.290 1.00 3.19 C ATOM 1047 O GLY A 66 19.896 -0.923 -16.306 1.00 3.48 O ATOM 0 H GLY A 66 16.703 0.297 -15.820 1.00 2.60 H new ATOM 0 HA2 GLY A 66 17.635 -0.485 -18.367 1.00 2.50 H new ATOM 0 HA3 GLY A 66 17.898 1.081 -17.625 1.00 2.50 H new ATOM 1051 N SER A 67 20.326 0.048 -18.230 1.00 4.49 N ATOM 1052 CA SER A 67 21.781 -0.251 -18.110 1.00 5.16 C ATOM 1053 C SER A 67 22.444 0.797 -17.215 1.00 3.50 C ATOM 1054 O SER A 67 22.521 1.960 -17.559 1.00 3.77 O ATOM 1055 CB SER A 67 22.428 -0.219 -19.495 1.00 7.42 C ATOM 1056 OG SER A 67 21.417 -0.308 -20.490 1.00 7.33 O ATOM 0 H SER A 67 20.054 0.550 -19.075 1.00 4.49 H new ATOM 0 HA SER A 67 21.912 -1.241 -17.672 1.00 5.16 H new ATOM 0 HB2 SER A 67 22.998 0.702 -19.621 1.00 7.42 H new ATOM 0 HB3 SER A 67 23.131 -1.046 -19.600 1.00 7.42 H new ATOM 0 HG SER A 67 21.830 -0.286 -21.379 1.00 7.33 H new ATOM 1062 N TYR A 68 22.921 0.396 -16.070 1.00 2.57 N ATOM 1063 CA TYR A 68 23.578 1.373 -15.159 1.00 1.10 C ATOM 1064 C TYR A 68 24.692 0.673 -14.380 1.00 0.85 C ATOM 1065 O TYR A 68 25.015 -0.471 -14.632 1.00 1.67 O ATOM 1066 CB TYR A 68 22.544 1.933 -14.182 1.00 0.90 C ATOM 1067 CG TYR A 68 21.773 3.044 -14.853 1.00 0.68 C ATOM 1068 CD1 TYR A 68 22.356 4.309 -14.999 1.00 1.96 C ATOM 1069 CD2 TYR A 68 20.479 2.810 -15.331 1.00 1.26 C ATOM 1070 CE1 TYR A 68 21.643 5.339 -15.624 1.00 2.77 C ATOM 1071 CE2 TYR A 68 19.766 3.841 -15.955 1.00 1.33 C ATOM 1072 CZ TYR A 68 20.348 5.105 -16.101 1.00 2.11 C ATOM 1073 OH TYR A 68 19.644 6.121 -16.715 1.00 2.94 O ATOM 0 H TYR A 68 22.884 -0.564 -15.726 1.00 2.57 H new ATOM 0 HA TYR A 68 24.002 2.189 -15.744 1.00 1.10 H new ATOM 0 HB2 TYR A 68 21.863 1.144 -13.863 1.00 0.90 H new ATOM 0 HB3 TYR A 68 23.039 2.308 -13.286 1.00 0.90 H new ATOM 0 HD1 TYR A 68 23.355 4.490 -14.630 1.00 1.96 H new ATOM 0 HD2 TYR A 68 20.030 1.834 -15.219 1.00 1.26 H new ATOM 0 HE1 TYR A 68 22.092 6.314 -15.738 1.00 2.77 H new ATOM 0 HE2 TYR A 68 18.767 3.661 -16.324 1.00 1.33 H new ATOM 0 HH TYR A 68 18.763 5.790 -16.988 1.00 2.94 H new ATOM 1083 N ALA A 69 25.284 1.352 -13.436 1.00 0.81 N ATOM 1084 CA ALA A 69 26.381 0.729 -12.641 1.00 0.87 C ATOM 1085 C ALA A 69 26.635 1.572 -11.388 1.00 1.33 C ATOM 1086 O ALA A 69 27.733 1.618 -10.871 1.00 2.35 O ATOM 1087 CB ALA A 69 27.653 0.674 -13.487 1.00 1.32 C ATOM 0 H ALA A 69 25.055 2.313 -13.180 1.00 0.81 H new ATOM 0 HA ALA A 69 26.097 -0.282 -12.350 1.00 0.87 H new ATOM 0 HB1 ALA A 69 28.456 0.219 -12.907 1.00 1.32 H new ATOM 0 HB2 ALA A 69 27.469 0.079 -14.382 1.00 1.32 H new ATOM 0 HB3 ALA A 69 27.942 1.685 -13.776 1.00 1.32 H new ATOM 1093 N ASN A 70 25.626 2.243 -10.903 1.00 1.09 N ATOM 1094 CA ASN A 70 25.795 3.091 -9.688 1.00 2.11 C ATOM 1095 C ASN A 70 24.476 3.810 -9.402 1.00 1.79 C ATOM 1096 O ASN A 70 24.360 5.008 -9.569 1.00 1.77 O ATOM 1097 CB ASN A 70 26.899 4.124 -9.934 1.00 2.84 C ATOM 1098 CG ASN A 70 27.516 4.542 -8.599 1.00 3.34 C ATOM 1099 OD1 ASN A 70 26.908 4.385 -7.559 1.00 3.74 O ATOM 1100 ND2 ASN A 70 28.707 5.077 -8.585 1.00 3.60 N ATOM 0 H ASN A 70 24.686 2.240 -11.299 1.00 1.09 H new ATOM 0 HA ASN A 70 26.071 2.469 -8.836 1.00 2.11 H new ATOM 0 HB2 ASN A 70 27.666 3.704 -10.585 1.00 2.84 H new ATOM 0 HB3 ASN A 70 26.489 4.995 -10.445 1.00 2.84 H new ATOM 0 HD21 ASN A 70 29.127 5.363 -7.701 1.00 3.60 H new ATOM 0 HD22 ASN A 70 29.217 5.209 -9.458 1.00 3.60 H new ATOM 1107 N VAL A 71 23.473 3.085 -8.985 1.00 1.77 N ATOM 1108 CA VAL A 71 22.156 3.724 -8.703 1.00 1.44 C ATOM 1109 C VAL A 71 21.784 3.527 -7.231 1.00 1.47 C ATOM 1110 O VAL A 71 21.938 2.455 -6.679 1.00 1.80 O ATOM 1111 CB VAL A 71 21.086 3.077 -9.586 1.00 1.31 C ATOM 1112 CG1 VAL A 71 21.343 3.440 -11.051 1.00 1.24 C ATOM 1113 CG2 VAL A 71 21.145 1.556 -9.418 1.00 1.61 C ATOM 0 H VAL A 71 23.509 2.078 -8.828 1.00 1.77 H new ATOM 0 HA VAL A 71 22.220 4.791 -8.916 1.00 1.44 H new ATOM 0 HB VAL A 71 20.101 3.440 -9.292 1.00 1.31 H new ATOM 0 HG11 VAL A 71 20.581 2.979 -11.679 1.00 1.24 H new ATOM 0 HG12 VAL A 71 21.305 4.523 -11.170 1.00 1.24 H new ATOM 0 HG13 VAL A 71 22.327 3.077 -11.349 1.00 1.24 H new ATOM 0 HG21 VAL A 71 20.384 1.091 -10.045 1.00 1.61 H new ATOM 0 HG22 VAL A 71 22.130 1.195 -9.714 1.00 1.61 H new ATOM 0 HG23 VAL A 71 20.963 1.298 -8.375 1.00 1.61 H new ATOM 1123 N ASP A 72 21.282 4.551 -6.594 1.00 1.21 N ATOM 1124 CA ASP A 72 20.886 4.419 -5.164 1.00 1.22 C ATOM 1125 C ASP A 72 19.421 3.966 -5.103 1.00 0.78 C ATOM 1126 O ASP A 72 18.544 4.668 -5.565 1.00 0.69 O ATOM 1127 CB ASP A 72 21.033 5.774 -4.463 1.00 1.37 C ATOM 1128 CG ASP A 72 22.515 6.144 -4.372 1.00 1.76 C ATOM 1129 OD1 ASP A 72 23.304 5.531 -5.074 1.00 2.02 O ATOM 1130 OD2 ASP A 72 22.836 7.033 -3.602 1.00 1.99 O ATOM 0 H ASP A 72 21.129 5.473 -7.003 1.00 1.21 H new ATOM 0 HA ASP A 72 21.524 3.689 -4.666 1.00 1.22 H new ATOM 0 HB2 ASP A 72 20.489 6.541 -5.014 1.00 1.37 H new ATOM 0 HB3 ASP A 72 20.597 5.728 -3.465 1.00 1.37 H new ATOM 1135 N PRO A 73 19.194 2.799 -4.548 1.00 0.72 N ATOM 1136 CA PRO A 73 17.844 2.229 -4.437 1.00 0.70 C ATOM 1137 C PRO A 73 17.046 2.902 -3.323 1.00 0.65 C ATOM 1138 O PRO A 73 16.195 3.732 -3.576 1.00 0.80 O ATOM 1139 CB PRO A 73 18.083 0.761 -4.120 1.00 1.15 C ATOM 1140 CG PRO A 73 19.498 0.680 -3.526 1.00 1.20 C ATOM 1141 CD PRO A 73 20.250 1.945 -3.980 1.00 1.02 C ATOM 0 HA PRO A 73 17.261 2.373 -5.347 1.00 0.70 H new ATOM 0 HB2 PRO A 73 17.341 0.389 -3.413 1.00 1.15 H new ATOM 0 HB3 PRO A 73 18.002 0.150 -5.019 1.00 1.15 H new ATOM 0 HG2 PRO A 73 19.457 0.625 -2.438 1.00 1.20 H new ATOM 0 HG3 PRO A 73 20.010 -0.218 -3.871 1.00 1.20 H new ATOM 0 HD2 PRO A 73 20.752 2.433 -3.145 1.00 1.02 H new ATOM 0 HD3 PRO A 73 21.016 1.711 -4.720 1.00 1.02 H new ATOM 1149 N ARG A 74 17.299 2.550 -2.093 1.00 0.85 N ATOM 1150 CA ARG A 74 16.528 3.176 -0.985 1.00 0.99 C ATOM 1151 C ARG A 74 17.261 2.991 0.347 1.00 0.99 C ATOM 1152 O ARG A 74 17.864 3.911 0.864 1.00 1.13 O ATOM 1153 CB ARG A 74 15.154 2.516 -0.905 1.00 1.95 C ATOM 1154 CG ARG A 74 14.580 2.708 0.498 1.00 3.87 C ATOM 1155 CD ARG A 74 13.082 2.991 0.405 1.00 4.31 C ATOM 1156 NE ARG A 74 12.346 1.708 0.243 1.00 7.17 N ATOM 1157 CZ ARG A 74 12.640 0.903 -0.741 1.00 7.96 C ATOM 1158 NH1 ARG A 74 12.841 1.383 -1.937 1.00 7.68 N ATOM 1159 NH2 ARG A 74 12.740 -0.382 -0.530 1.00 9.08 N ATOM 0 H ARG A 74 17.998 1.864 -1.810 1.00 0.85 H new ATOM 0 HA ARG A 74 16.422 4.243 -1.179 1.00 0.99 H new ATOM 0 HB2 ARG A 74 14.485 2.952 -1.647 1.00 1.95 H new ATOM 0 HB3 ARG A 74 15.235 1.454 -1.135 1.00 1.95 H new ATOM 0 HG2 ARG A 74 14.755 1.815 1.099 1.00 3.87 H new ATOM 0 HG3 ARG A 74 15.086 3.533 0.999 1.00 3.87 H new ATOM 0 HD2 ARG A 74 12.742 3.507 1.303 1.00 4.31 H new ATOM 0 HD3 ARG A 74 12.877 3.650 -0.439 1.00 4.31 H new ATOM 0 HE ARG A 74 11.610 1.457 0.903 1.00 7.17 H new ATOM 0 HH11 ARG A 74 12.768 2.387 -2.102 1.00 7.68 H new ATOM 0 HH12 ARG A 74 13.071 0.755 -2.707 1.00 7.68 H new ATOM 0 HH21 ARG A 74 12.588 -0.759 0.406 1.00 9.08 H new ATOM 0 HH22 ARG A 74 12.970 -1.009 -1.301 1.00 9.08 H new ATOM 1173 N ARG A 75 17.208 1.816 0.913 1.00 1.23 N ATOM 1174 CA ARG A 75 17.897 1.591 2.217 1.00 1.58 C ATOM 1175 C ARG A 75 19.391 1.400 1.975 1.00 1.82 C ATOM 1176 O ARG A 75 20.215 1.910 2.707 1.00 2.54 O ATOM 1177 CB ARG A 75 17.327 0.341 2.891 1.00 1.73 C ATOM 1178 CG ARG A 75 18.083 0.070 4.195 1.00 2.76 C ATOM 1179 CD ARG A 75 17.182 0.396 5.387 1.00 5.50 C ATOM 1180 NE ARG A 75 17.452 1.787 5.843 1.00 6.33 N ATOM 1181 CZ ARG A 75 17.817 2.009 7.074 1.00 8.27 C ATOM 1182 NH1 ARG A 75 16.934 1.959 8.034 1.00 10.27 N ATOM 1183 NH2 ARG A 75 19.065 2.276 7.346 1.00 8.64 N ATOM 0 H ARG A 75 16.720 1.005 0.532 1.00 1.23 H new ATOM 0 HA ARG A 75 17.739 2.454 2.863 1.00 1.58 H new ATOM 0 HB2 ARG A 75 16.265 0.478 3.096 1.00 1.73 H new ATOM 0 HB3 ARG A 75 17.414 -0.516 2.223 1.00 1.73 H new ATOM 0 HG2 ARG A 75 18.395 -0.974 4.236 1.00 2.76 H new ATOM 0 HG3 ARG A 75 18.989 0.675 4.235 1.00 2.76 H new ATOM 0 HD2 ARG A 75 16.134 0.291 5.105 1.00 5.50 H new ATOM 0 HD3 ARG A 75 17.366 -0.307 6.199 1.00 5.50 H new ATOM 0 HE ARG A 75 17.351 2.566 5.192 1.00 6.33 H new ATOM 0 HH11 ARG A 75 15.960 1.746 7.820 1.00 10.27 H new ATOM 0 HH12 ARG A 75 17.218 2.133 8.998 1.00 10.27 H new ATOM 0 HH21 ARG A 75 19.754 2.311 6.595 1.00 8.64 H new ATOM 0 HH22 ARG A 75 19.351 2.450 8.310 1.00 8.64 H new ATOM 1197 N LYS A 76 19.739 0.667 0.951 1.00 1.89 N ATOM 1198 CA LYS A 76 21.179 0.427 0.641 1.00 2.80 C ATOM 1199 C LYS A 76 21.711 -0.715 1.513 1.00 2.61 C ATOM 1200 O LYS A 76 22.065 -1.765 1.018 1.00 3.38 O ATOM 1201 CB LYS A 76 21.992 1.700 0.903 1.00 3.56 C ATOM 1202 CG LYS A 76 23.335 1.612 0.173 1.00 5.00 C ATOM 1203 CD LYS A 76 23.678 2.978 -0.424 1.00 4.22 C ATOM 1204 CE LYS A 76 24.666 3.704 0.491 1.00 3.91 C ATOM 1205 NZ LYS A 76 25.919 3.994 -0.263 1.00 6.41 N ATOM 0 H LYS A 76 19.082 0.221 0.311 1.00 1.89 H new ATOM 0 HA LYS A 76 21.276 0.154 -0.410 1.00 2.80 H new ATOM 0 HB2 LYS A 76 21.438 2.574 0.561 1.00 3.56 H new ATOM 0 HB3 LYS A 76 22.156 1.825 1.973 1.00 3.56 H new ATOM 0 HG2 LYS A 76 24.117 1.298 0.864 1.00 5.00 H new ATOM 0 HG3 LYS A 76 23.285 0.860 -0.615 1.00 5.00 H new ATOM 0 HD2 LYS A 76 24.110 2.854 -1.417 1.00 4.22 H new ATOM 0 HD3 LYS A 76 22.772 3.572 -0.542 1.00 4.22 H new ATOM 0 HE2 LYS A 76 24.226 4.632 0.857 1.00 3.91 H new ATOM 0 HE3 LYS A 76 24.888 3.091 1.364 1.00 3.91 H new ATOM 0 HZ1 LYS A 76 26.592 4.488 0.358 1.00 6.41 H new ATOM 0 HZ2 LYS A 76 26.341 3.102 -0.591 1.00 6.41 H new ATOM 0 HZ3 LYS A 76 25.700 4.595 -1.083 1.00 6.41 H new ATOM 1219 N ARG A 77 21.775 -0.520 2.806 1.00 2.06 N ATOM 1220 CA ARG A 77 22.289 -1.601 3.697 1.00 1.84 C ATOM 1221 C ARG A 77 22.425 -1.071 5.128 1.00 1.53 C ATOM 1222 O ARG A 77 23.267 -0.237 5.394 1.00 2.53 O ATOM 1223 CB ARG A 77 23.664 -2.049 3.202 1.00 1.91 C ATOM 1224 CG ARG A 77 24.564 -0.823 3.044 1.00 1.54 C ATOM 1225 CD ARG A 77 25.376 -0.945 1.754 1.00 1.52 C ATOM 1226 NE ARG A 77 26.764 -1.372 2.080 1.00 2.84 N ATOM 1227 CZ ARG A 77 26.981 -2.553 2.588 1.00 4.24 C ATOM 1228 NH1 ARG A 77 26.953 -2.724 3.882 1.00 5.82 N ATOM 1229 NH2 ARG A 77 27.220 -3.566 1.800 1.00 4.60 N ATOM 0 H ARG A 77 21.494 0.338 3.281 1.00 2.06 H new ATOM 0 HA ARG A 77 21.594 -2.440 3.683 1.00 1.84 H new ATOM 0 HB2 ARG A 77 24.107 -2.752 3.908 1.00 1.91 H new ATOM 0 HB3 ARG A 77 23.569 -2.571 2.250 1.00 1.91 H new ATOM 0 HG2 ARG A 77 23.960 0.084 3.021 1.00 1.54 H new ATOM 0 HG3 ARG A 77 25.233 -0.738 3.900 1.00 1.54 H new ATOM 0 HD2 ARG A 77 24.909 -1.668 1.085 1.00 1.52 H new ATOM 0 HD3 ARG A 77 25.392 0.011 1.230 1.00 1.52 H new ATOM 0 HE ARG A 77 27.546 -0.740 1.906 1.00 2.84 H new ATOM 0 HH11 ARG A 77 26.761 -1.933 4.497 1.00 5.82 H new ATOM 0 HH12 ARG A 77 27.123 -3.648 4.278 1.00 5.82 H new ATOM 0 HH21 ARG A 77 27.237 -3.433 0.789 1.00 4.60 H new ATOM 0 HH22 ARG A 77 27.390 -4.491 2.195 1.00 4.60 H new ATOM 1243 N LYS A 78 21.627 -1.540 6.063 1.00 0.62 N ATOM 1244 CA LYS A 78 21.785 -1.016 7.456 1.00 0.62 C ATOM 1245 C LYS A 78 20.650 -1.462 8.404 1.00 0.69 C ATOM 1246 O LYS A 78 20.125 -0.654 9.146 1.00 0.90 O ATOM 1247 CB LYS A 78 21.809 0.514 7.407 1.00 1.05 C ATOM 1248 CG LYS A 78 23.096 1.032 8.054 1.00 1.12 C ATOM 1249 CD LYS A 78 22.759 2.159 9.031 1.00 1.60 C ATOM 1250 CE LYS A 78 23.677 2.062 10.252 1.00 1.91 C ATOM 1251 NZ LYS A 78 22.974 2.613 11.445 1.00 2.37 N ATOM 0 H LYS A 78 20.897 -2.240 5.927 1.00 0.62 H new ATOM 0 HA LYS A 78 22.716 -1.423 7.850 1.00 0.62 H new ATOM 0 HB2 LYS A 78 21.748 0.855 6.374 1.00 1.05 H new ATOM 0 HB3 LYS A 78 20.941 0.918 7.928 1.00 1.05 H new ATOM 0 HG2 LYS A 78 23.604 0.222 8.578 1.00 1.12 H new ATOM 0 HG3 LYS A 78 23.781 1.394 7.287 1.00 1.12 H new ATOM 0 HD2 LYS A 78 22.883 3.127 8.545 1.00 1.60 H new ATOM 0 HD3 LYS A 78 21.716 2.089 9.339 1.00 1.60 H new ATOM 0 HE2 LYS A 78 23.957 1.023 10.429 1.00 1.91 H new ATOM 0 HE3 LYS A 78 24.599 2.615 10.072 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 23.591 3.299 11.925 1.00 2.37 H new ATOM 0 HZ2 LYS A 78 22.098 3.086 11.144 1.00 2.37 H new ATOM 0 HZ3 LYS A 78 22.742 1.839 12.099 1.00 2.37 H new ATOM 1265 N LEU A 79 20.279 -2.723 8.441 1.00 0.56 N ATOM 1266 CA LEU A 79 19.205 -3.124 9.417 1.00 0.65 C ATOM 1267 C LEU A 79 19.627 -2.640 10.814 1.00 0.58 C ATOM 1268 O LEU A 79 20.734 -2.881 11.251 1.00 0.82 O ATOM 1269 CB LEU A 79 19.075 -4.654 9.449 1.00 0.63 C ATOM 1270 CG LEU A 79 18.966 -5.218 8.032 1.00 0.81 C ATOM 1271 CD1 LEU A 79 18.942 -6.747 8.092 1.00 1.71 C ATOM 1272 CD2 LEU A 79 17.678 -4.717 7.380 1.00 0.30 C ATOM 0 H LEU A 79 20.657 -3.471 7.860 1.00 0.56 H new ATOM 0 HA LEU A 79 18.252 -2.686 9.120 1.00 0.65 H new ATOM 0 HB2 LEU A 79 19.940 -5.087 9.952 1.00 0.63 H new ATOM 0 HB3 LEU A 79 18.195 -4.937 10.027 1.00 0.63 H new ATOM 0 HG LEU A 79 19.823 -4.889 7.445 1.00 0.81 H new ATOM 0 HD11 LEU A 79 18.864 -7.150 7.082 1.00 1.71 H new ATOM 0 HD12 LEU A 79 19.860 -7.107 8.557 1.00 1.71 H new ATOM 0 HD13 LEU A 79 18.085 -7.075 8.680 1.00 1.71 H new ATOM 0 HD21 LEU A 79 17.601 -5.119 6.370 1.00 0.30 H new ATOM 0 HD22 LEU A 79 16.821 -5.046 7.968 1.00 0.30 H new ATOM 0 HD23 LEU A 79 17.692 -3.628 7.337 1.00 0.30 H new ATOM 1284 N LEU A 80 18.766 -1.950 11.514 1.00 0.54 N ATOM 1285 CA LEU A 80 19.137 -1.444 12.874 1.00 0.71 C ATOM 1286 C LEU A 80 18.842 -2.511 13.938 1.00 0.66 C ATOM 1287 O LEU A 80 17.713 -2.714 14.316 1.00 0.74 O ATOM 1288 CB LEU A 80 18.309 -0.194 13.180 1.00 0.92 C ATOM 1289 CG LEU A 80 19.208 1.041 13.132 1.00 0.98 C ATOM 1290 CD1 LEU A 80 20.056 1.102 14.404 1.00 1.42 C ATOM 1291 CD2 LEU A 80 20.122 0.958 11.905 1.00 3.02 C ATOM 0 H LEU A 80 17.823 -1.714 11.206 1.00 0.54 H new ATOM 0 HA LEU A 80 20.201 -1.210 12.890 1.00 0.71 H new ATOM 0 HB2 LEU A 80 17.500 -0.095 12.456 1.00 0.92 H new ATOM 0 HB3 LEU A 80 17.848 -0.283 14.164 1.00 0.92 H new ATOM 0 HG LEU A 80 18.594 1.939 13.064 1.00 0.98 H new ATOM 0 HD11 LEU A 80 20.698 1.982 14.371 1.00 1.42 H new ATOM 0 HD12 LEU A 80 19.403 1.161 15.274 1.00 1.42 H new ATOM 0 HD13 LEU A 80 20.673 0.206 14.474 1.00 1.42 H new ATOM 0 HD21 LEU A 80 20.764 1.838 11.869 1.00 3.02 H new ATOM 0 HD22 LEU A 80 20.739 0.062 11.971 1.00 3.02 H new ATOM 0 HD23 LEU A 80 19.514 0.915 11.001 1.00 3.02 H new ATOM 1303 N LEU A 81 19.846 -3.183 14.442 1.00 0.63 N ATOM 1304 CA LEU A 81 19.605 -4.217 15.476 1.00 0.61 C ATOM 1305 C LEU A 81 20.229 -3.798 16.777 1.00 0.66 C ATOM 1306 O LEU A 81 21.414 -3.536 16.844 1.00 0.62 O ATOM 1307 CB LEU A 81 20.284 -5.537 15.108 1.00 0.61 C ATOM 1308 CG LEU A 81 19.238 -6.524 14.593 1.00 0.74 C ATOM 1309 CD1 LEU A 81 19.800 -7.294 13.399 1.00 1.66 C ATOM 1310 CD2 LEU A 81 18.871 -7.508 15.705 1.00 0.32 C ATOM 0 H LEU A 81 20.823 -3.055 14.177 1.00 0.63 H new ATOM 0 HA LEU A 81 18.524 -4.337 15.553 1.00 0.61 H new ATOM 0 HB2 LEU A 81 21.044 -5.367 14.346 1.00 0.61 H new ATOM 0 HB3 LEU A 81 20.792 -5.951 15.979 1.00 0.61 H new ATOM 0 HG LEU A 81 18.348 -5.975 14.284 1.00 0.74 H new ATOM 0 HD11 LEU A 81 19.051 -7.997 13.034 1.00 1.66 H new ATOM 0 HD12 LEU A 81 20.059 -6.595 12.604 1.00 1.66 H new ATOM 0 HD13 LEU A 81 20.692 -7.841 13.706 1.00 1.66 H new ATOM 0 HD21 LEU A 81 18.125 -8.212 15.336 1.00 0.32 H new ATOM 0 HD22 LEU A 81 19.762 -8.054 16.017 1.00 0.32 H new ATOM 0 HD23 LEU A 81 18.465 -6.961 16.556 1.00 0.32 H new ATOM 1322 N HIS A 82 19.472 -3.815 17.824 1.00 0.86 N ATOM 1323 CA HIS A 82 20.092 -3.517 19.131 1.00 1.00 C ATOM 1324 C HIS A 82 21.275 -4.466 19.141 1.00 0.89 C ATOM 1325 O HIS A 82 21.150 -5.616 18.769 1.00 0.82 O ATOM 1326 CB HIS A 82 19.125 -3.813 20.282 1.00 1.23 C ATOM 1327 CG HIS A 82 17.973 -2.848 20.225 1.00 1.30 C ATOM 1328 ND1 HIS A 82 17.230 -2.509 21.346 1.00 1.55 N ATOM 1329 CD2 HIS A 82 17.418 -2.147 19.183 1.00 2.57 C ATOM 1330 CE1 HIS A 82 16.279 -1.638 20.955 1.00 1.33 C ATOM 1331 NE2 HIS A 82 16.349 -1.385 19.646 1.00 2.49 N ATOM 0 H HIS A 82 18.472 -4.017 17.836 1.00 0.86 H new ATOM 0 HA HIS A 82 20.370 -2.471 19.261 1.00 1.00 H new ATOM 0 HB2 HIS A 82 18.760 -4.838 20.211 1.00 1.23 H new ATOM 0 HB3 HIS A 82 19.641 -3.724 21.238 1.00 1.23 H new ATOM 0 HD2 HIS A 82 17.759 -2.182 18.159 1.00 2.57 H new ATOM 0 HE1 HIS A 82 15.550 -1.198 21.619 1.00 1.33 H new ATOM 0 HE2 HIS A 82 15.748 -0.766 19.102 1.00 2.49 H new ATOM 1339 N LYS A 83 22.433 -3.991 19.427 1.00 0.97 N ATOM 1340 CA LYS A 83 23.617 -4.870 19.294 1.00 0.91 C ATOM 1341 C LYS A 83 23.520 -6.133 20.153 1.00 0.94 C ATOM 1342 O LYS A 83 24.019 -7.170 19.766 1.00 0.87 O ATOM 1343 CB LYS A 83 24.863 -4.082 19.674 1.00 1.13 C ATOM 1344 CG LYS A 83 26.016 -5.050 19.923 1.00 0.59 C ATOM 1345 CD LYS A 83 26.138 -5.314 21.425 1.00 1.39 C ATOM 1346 CE LYS A 83 26.956 -6.585 21.663 1.00 1.18 C ATOM 1347 NZ LYS A 83 26.880 -6.956 23.106 1.00 1.34 N ATOM 0 H LYS A 83 22.620 -3.040 19.746 1.00 0.97 H new ATOM 0 HA LYS A 83 23.668 -5.200 18.256 1.00 0.91 H new ATOM 0 HB2 LYS A 83 25.124 -3.385 18.877 1.00 1.13 H new ATOM 0 HB3 LYS A 83 24.673 -3.488 20.568 1.00 1.13 H new ATOM 0 HG2 LYS A 83 25.843 -5.985 19.391 1.00 0.59 H new ATOM 0 HG3 LYS A 83 26.946 -4.632 19.539 1.00 0.59 H new ATOM 0 HD2 LYS A 83 26.616 -4.466 21.915 1.00 1.39 H new ATOM 0 HD3 LYS A 83 25.147 -5.420 21.867 1.00 1.39 H new ATOM 0 HE2 LYS A 83 26.574 -7.398 21.046 1.00 1.18 H new ATOM 0 HE3 LYS A 83 27.994 -6.424 21.371 1.00 1.18 H new ATOM 0 HZ1 LYS A 83 27.435 -7.820 23.272 1.00 1.34 H new ATOM 0 HZ2 LYS A 83 27.264 -6.181 23.684 1.00 1.34 H new ATOM 0 HZ3 LYS A 83 25.888 -7.126 23.369 1.00 1.34 H new ATOM 1361 N HIS A 84 22.906 -6.095 21.294 1.00 1.08 N ATOM 1362 CA HIS A 84 22.842 -7.350 22.090 1.00 1.18 C ATOM 1363 C HIS A 84 22.210 -8.431 21.213 1.00 1.03 C ATOM 1364 O HIS A 84 22.597 -9.582 21.241 1.00 1.14 O ATOM 1365 CB HIS A 84 21.983 -7.140 23.336 1.00 1.29 C ATOM 1366 CG HIS A 84 21.654 -8.481 23.932 1.00 1.06 C ATOM 1367 ND1 HIS A 84 20.540 -8.685 24.728 1.00 1.77 N ATOM 1368 CD2 HIS A 84 22.287 -9.696 23.852 1.00 2.18 C ATOM 1369 CE1 HIS A 84 20.535 -9.981 25.093 1.00 3.10 C ATOM 1370 NE2 HIS A 84 21.579 -10.642 24.585 1.00 3.56 N ATOM 0 H HIS A 84 22.456 -5.277 21.705 1.00 1.08 H new ATOM 0 HA HIS A 84 23.843 -7.644 22.405 1.00 1.18 H new ATOM 0 HB2 HIS A 84 22.515 -6.525 24.062 1.00 1.29 H new ATOM 0 HB3 HIS A 84 21.068 -6.607 23.078 1.00 1.29 H new ATOM 0 HD2 HIS A 84 23.197 -9.888 23.303 1.00 2.18 H new ATOM 0 HE1 HIS A 84 19.779 -10.431 25.720 1.00 3.10 H new ATOM 0 HE2 HIS A 84 21.808 -11.628 24.708 1.00 3.56 H new ATOM 1378 N GLU A 85 21.241 -8.053 20.428 1.00 0.81 N ATOM 1379 CA GLU A 85 20.561 -9.026 19.524 1.00 0.71 C ATOM 1380 C GLU A 85 21.463 -9.405 18.342 1.00 0.65 C ATOM 1381 O GLU A 85 21.402 -10.503 17.830 1.00 0.69 O ATOM 1382 CB GLU A 85 19.292 -8.378 18.970 1.00 0.56 C ATOM 1383 CG GLU A 85 18.524 -7.720 20.118 1.00 0.61 C ATOM 1384 CD GLU A 85 17.047 -8.108 20.044 1.00 1.30 C ATOM 1385 OE1 GLU A 85 16.382 -7.659 19.125 1.00 1.97 O ATOM 1386 OE2 GLU A 85 16.603 -8.841 20.913 1.00 2.16 O ATOM 0 H GLU A 85 20.885 -7.099 20.373 1.00 0.81 H new ATOM 0 HA GLU A 85 20.329 -9.925 20.095 1.00 0.71 H new ATOM 0 HB2 GLU A 85 19.548 -7.635 18.214 1.00 0.56 H new ATOM 0 HB3 GLU A 85 18.669 -9.128 18.482 1.00 0.56 H new ATOM 0 HG2 GLU A 85 18.944 -8.032 21.074 1.00 0.61 H new ATOM 0 HG3 GLU A 85 18.628 -6.636 20.063 1.00 0.61 H new ATOM 1393 N LEU A 86 22.244 -8.476 17.864 1.00 0.62 N ATOM 1394 CA LEU A 86 23.093 -8.740 16.663 1.00 0.61 C ATOM 1395 C LEU A 86 24.087 -9.906 16.860 1.00 0.56 C ATOM 1396 O LEU A 86 24.198 -10.771 16.015 1.00 0.60 O ATOM 1397 CB LEU A 86 23.873 -7.454 16.369 1.00 0.61 C ATOM 1398 CG LEU A 86 24.568 -7.558 15.014 1.00 0.81 C ATOM 1399 CD1 LEU A 86 25.032 -6.167 14.578 1.00 2.19 C ATOM 1400 CD2 LEU A 86 25.778 -8.483 15.136 1.00 1.23 C ATOM 0 H LEU A 86 22.333 -7.538 18.255 1.00 0.62 H new ATOM 0 HA LEU A 86 22.442 -9.031 15.839 1.00 0.61 H new ATOM 0 HB2 LEU A 86 23.196 -6.600 16.374 1.00 0.61 H new ATOM 0 HB3 LEU A 86 24.611 -7.280 17.152 1.00 0.61 H new ATOM 0 HG LEU A 86 23.875 -7.961 14.275 1.00 0.81 H new ATOM 0 HD11 LEU A 86 25.529 -6.236 13.610 1.00 2.19 H new ATOM 0 HD12 LEU A 86 24.170 -5.505 14.497 1.00 2.19 H new ATOM 0 HD13 LEU A 86 25.728 -5.768 15.316 1.00 2.19 H new ATOM 0 HD21 LEU A 86 26.277 -8.559 14.170 1.00 1.23 H new ATOM 0 HD22 LEU A 86 26.473 -8.078 15.872 1.00 1.23 H new ATOM 0 HD23 LEU A 86 25.449 -9.472 15.454 1.00 1.23 H new ATOM 1412 N ARG A 87 24.841 -9.921 17.924 1.00 0.49 N ATOM 1413 CA ARG A 87 25.855 -11.016 18.105 1.00 0.50 C ATOM 1414 C ARG A 87 25.263 -12.384 18.522 1.00 0.47 C ATOM 1415 O ARG A 87 25.829 -13.414 18.212 1.00 0.49 O ATOM 1416 CB ARG A 87 26.866 -10.584 19.167 1.00 0.63 C ATOM 1417 CG ARG A 87 28.007 -11.602 19.220 1.00 0.57 C ATOM 1418 CD ARG A 87 28.876 -11.338 20.451 1.00 0.21 C ATOM 1419 NE ARG A 87 29.440 -12.625 20.946 1.00 1.10 N ATOM 1420 CZ ARG A 87 29.150 -13.044 22.148 1.00 1.48 C ATOM 1421 NH1 ARG A 87 29.100 -12.197 23.139 1.00 1.68 N ATOM 1422 NH2 ARG A 87 28.900 -14.309 22.359 1.00 2.67 N ATOM 0 H ARG A 87 24.805 -9.231 18.675 1.00 0.49 H new ATOM 0 HA ARG A 87 26.313 -11.163 17.127 1.00 0.50 H new ATOM 0 HB2 ARG A 87 27.257 -9.594 18.933 1.00 0.63 H new ATOM 0 HB3 ARG A 87 26.381 -10.513 20.140 1.00 0.63 H new ATOM 0 HG2 ARG A 87 27.603 -12.614 19.258 1.00 0.57 H new ATOM 0 HG3 ARG A 87 28.611 -11.534 18.315 1.00 0.57 H new ATOM 0 HD2 ARG A 87 29.682 -10.648 20.199 1.00 0.21 H new ATOM 0 HD3 ARG A 87 28.283 -10.864 21.233 1.00 0.21 H new ATOM 0 HE ARG A 87 30.052 -13.178 20.346 1.00 1.10 H new ATOM 0 HH11 ARG A 87 29.287 -11.208 22.975 1.00 1.68 H new ATOM 0 HH12 ARG A 87 28.873 -12.524 24.078 1.00 1.68 H new ATOM 0 HH21 ARG A 87 28.931 -14.971 21.584 1.00 2.67 H new ATOM 0 HH22 ARG A 87 28.674 -14.634 23.299 1.00 2.67 H new ATOM 1436 N ARG A 88 24.202 -12.423 19.285 1.00 0.51 N ATOM 1437 CA ARG A 88 23.684 -13.753 19.777 1.00 0.64 C ATOM 1438 C ARG A 88 23.140 -14.678 18.664 1.00 0.61 C ATOM 1439 O ARG A 88 23.457 -15.850 18.627 1.00 0.73 O ATOM 1440 CB ARG A 88 22.564 -13.507 20.788 1.00 0.71 C ATOM 1441 CG ARG A 88 21.784 -14.805 21.000 1.00 0.40 C ATOM 1442 CD ARG A 88 21.488 -14.992 22.487 1.00 0.15 C ATOM 1443 NE ARG A 88 20.737 -16.261 22.681 1.00 0.83 N ATOM 1444 CZ ARG A 88 19.628 -16.263 23.366 1.00 2.18 C ATOM 1445 NH1 ARG A 88 19.624 -15.834 24.598 1.00 2.23 N ATOM 1446 NH2 ARG A 88 18.524 -16.693 22.820 1.00 4.40 N ATOM 0 H ARG A 88 23.671 -11.607 19.591 1.00 0.51 H new ATOM 0 HA ARG A 88 24.539 -14.264 20.220 1.00 0.64 H new ATOM 0 HB2 ARG A 88 22.981 -13.161 21.734 1.00 0.71 H new ATOM 0 HB3 ARG A 88 21.898 -12.723 20.427 1.00 0.71 H new ATOM 0 HG2 ARG A 88 20.852 -14.777 20.435 1.00 0.40 H new ATOM 0 HG3 ARG A 88 22.359 -15.651 20.625 1.00 0.40 H new ATOM 0 HD2 ARG A 88 22.418 -15.016 23.055 1.00 0.15 H new ATOM 0 HD3 ARG A 88 20.906 -14.150 22.863 1.00 0.15 H new ATOM 0 HE ARG A 88 21.090 -17.129 22.278 1.00 0.83 H new ATOM 0 HH11 ARG A 88 20.488 -15.498 25.024 1.00 2.23 H new ATOM 0 HH12 ARG A 88 18.757 -15.835 25.136 1.00 2.23 H new ATOM 0 HH21 ARG A 88 18.528 -17.028 21.857 1.00 4.40 H new ATOM 0 HH22 ARG A 88 17.657 -16.694 23.357 1.00 4.40 H new ATOM 1460 N LEU A 89 22.302 -14.195 17.792 1.00 0.52 N ATOM 1461 CA LEU A 89 21.718 -15.084 16.728 1.00 0.65 C ATOM 1462 C LEU A 89 22.764 -15.391 15.655 1.00 0.53 C ATOM 1463 O LEU A 89 22.898 -16.506 15.192 1.00 0.67 O ATOM 1464 CB LEU A 89 20.521 -14.349 16.123 1.00 0.75 C ATOM 1465 CG LEU A 89 20.321 -14.649 14.624 1.00 0.94 C ATOM 1466 CD1 LEU A 89 21.375 -13.932 13.779 1.00 0.82 C ATOM 1467 CD2 LEU A 89 20.400 -16.149 14.378 1.00 1.11 C ATOM 0 H LEU A 89 21.991 -13.224 17.763 1.00 0.52 H new ATOM 0 HA LEU A 89 21.402 -16.036 17.154 1.00 0.65 H new ATOM 0 HB2 LEU A 89 19.618 -14.628 16.667 1.00 0.75 H new ATOM 0 HB3 LEU A 89 20.655 -13.276 16.258 1.00 0.75 H new ATOM 0 HG LEU A 89 19.336 -14.285 14.332 1.00 0.94 H new ATOM 0 HD11 LEU A 89 21.213 -14.159 12.725 1.00 0.82 H new ATOM 0 HD12 LEU A 89 21.296 -12.856 13.935 1.00 0.82 H new ATOM 0 HD13 LEU A 89 22.369 -14.269 14.074 1.00 0.82 H new ATOM 0 HD21 LEU A 89 20.258 -16.352 13.317 1.00 1.11 H new ATOM 0 HD22 LEU A 89 21.377 -16.518 14.690 1.00 1.11 H new ATOM 0 HD23 LEU A 89 19.622 -16.653 14.951 1.00 1.11 H new ATOM 1479 N LEU A 90 23.481 -14.393 15.249 1.00 0.35 N ATOM 1480 CA LEU A 90 24.511 -14.555 14.191 1.00 0.32 C ATOM 1481 C LEU A 90 25.610 -15.505 14.685 1.00 0.24 C ATOM 1482 O LEU A 90 26.234 -16.212 13.925 1.00 0.25 O ATOM 1483 CB LEU A 90 25.051 -13.151 13.850 1.00 0.28 C ATOM 1484 CG LEU A 90 26.541 -13.177 13.477 1.00 0.48 C ATOM 1485 CD1 LEU A 90 27.392 -13.410 14.730 1.00 0.81 C ATOM 1486 CD2 LEU A 90 26.811 -14.278 12.449 1.00 0.61 C ATOM 0 H LEU A 90 23.396 -13.444 15.614 1.00 0.35 H new ATOM 0 HA LEU A 90 24.096 -15.000 13.287 1.00 0.32 H new ATOM 0 HB2 LEU A 90 24.478 -12.735 13.021 1.00 0.28 H new ATOM 0 HB3 LEU A 90 24.903 -12.490 14.704 1.00 0.28 H new ATOM 0 HG LEU A 90 26.809 -12.215 13.040 1.00 0.48 H new ATOM 0 HD11 LEU A 90 28.447 -13.427 14.456 1.00 0.81 H new ATOM 0 HD12 LEU A 90 27.216 -12.606 15.444 1.00 0.81 H new ATOM 0 HD13 LEU A 90 27.120 -14.363 15.183 1.00 0.81 H new ATOM 0 HD21 LEU A 90 27.871 -14.285 12.193 1.00 0.61 H new ATOM 0 HD22 LEU A 90 26.532 -15.244 12.869 1.00 0.61 H new ATOM 0 HD23 LEU A 90 26.223 -14.090 11.551 1.00 0.61 H new ATOM 1498 N GLY A 91 25.871 -15.504 15.955 1.00 0.17 N ATOM 1499 CA GLY A 91 26.956 -16.367 16.498 1.00 0.11 C ATOM 1500 C GLY A 91 26.754 -17.865 16.183 1.00 0.18 C ATOM 1501 O GLY A 91 27.698 -18.624 16.265 1.00 0.20 O ATOM 0 H GLY A 91 25.379 -14.940 16.648 1.00 0.17 H new ATOM 0 HA2 GLY A 91 27.911 -16.041 16.087 1.00 0.11 H new ATOM 0 HA3 GLY A 91 27.012 -16.233 17.578 1.00 0.11 H new ATOM 1505 N LYS A 92 25.573 -18.335 15.845 1.00 0.29 N ATOM 1506 CA LYS A 92 25.456 -19.801 15.579 1.00 0.41 C ATOM 1507 C LYS A 92 25.790 -20.128 14.113 1.00 0.42 C ATOM 1508 O LYS A 92 26.286 -21.196 13.810 1.00 0.43 O ATOM 1509 CB LYS A 92 24.038 -20.268 15.897 1.00 0.54 C ATOM 1510 CG LYS A 92 23.934 -20.608 17.387 1.00 0.63 C ATOM 1511 CD LYS A 92 23.032 -21.829 17.564 1.00 0.37 C ATOM 1512 CE LYS A 92 23.893 -23.076 17.771 1.00 0.86 C ATOM 1513 NZ LYS A 92 23.276 -23.935 18.819 1.00 1.33 N ATOM 0 H LYS A 92 24.717 -17.789 15.745 1.00 0.29 H new ATOM 0 HA LYS A 92 26.170 -20.322 16.217 1.00 0.41 H new ATOM 0 HB2 LYS A 92 23.321 -19.488 15.640 1.00 0.54 H new ATOM 0 HB3 LYS A 92 23.788 -21.142 15.295 1.00 0.54 H new ATOM 0 HG2 LYS A 92 24.924 -20.810 17.796 1.00 0.63 H new ATOM 0 HG3 LYS A 92 23.529 -19.759 17.938 1.00 0.63 H new ATOM 0 HD2 LYS A 92 22.371 -21.685 18.419 1.00 0.37 H new ATOM 0 HD3 LYS A 92 22.397 -21.955 16.687 1.00 0.37 H new ATOM 0 HE2 LYS A 92 23.981 -23.630 16.836 1.00 0.86 H new ATOM 0 HE3 LYS A 92 24.902 -22.790 18.068 1.00 0.86 H new ATOM 0 HZ1 LYS A 92 23.860 -24.783 18.961 1.00 1.33 H new ATOM 0 HZ2 LYS A 92 23.214 -23.404 19.711 1.00 1.33 H new ATOM 0 HZ3 LYS A 92 22.322 -24.218 18.518 1.00 1.33 H new ATOM 1527 N VAL A 93 25.502 -19.241 13.199 1.00 0.41 N ATOM 1528 CA VAL A 93 25.776 -19.524 11.756 1.00 0.40 C ATOM 1529 C VAL A 93 27.269 -19.665 11.463 1.00 0.28 C ATOM 1530 O VAL A 93 27.670 -20.259 10.484 1.00 0.12 O ATOM 1531 CB VAL A 93 25.268 -18.372 10.908 1.00 0.42 C ATOM 1532 CG1 VAL A 93 23.789 -18.560 10.644 1.00 0.53 C ATOM 1533 CG2 VAL A 93 25.504 -17.045 11.630 1.00 0.40 C ATOM 0 H VAL A 93 25.087 -18.329 13.388 1.00 0.41 H new ATOM 0 HA VAL A 93 25.273 -20.462 11.521 1.00 0.40 H new ATOM 0 HB VAL A 93 25.807 -18.355 9.961 1.00 0.42 H new ATOM 0 HG11 VAL A 93 23.420 -17.734 10.035 1.00 0.53 H new ATOM 0 HG12 VAL A 93 23.630 -19.500 10.115 1.00 0.53 H new ATOM 0 HG13 VAL A 93 23.250 -18.581 11.591 1.00 0.53 H new ATOM 0 HG21 VAL A 93 25.136 -16.225 11.013 1.00 0.40 H new ATOM 0 HG22 VAL A 93 24.973 -17.049 12.582 1.00 0.40 H new ATOM 0 HG23 VAL A 93 26.571 -16.913 11.810 1.00 0.40 H new ATOM 1543 N GLU A 94 28.080 -19.071 12.261 1.00 0.30 N ATOM 1544 CA GLU A 94 29.547 -19.101 12.004 1.00 0.17 C ATOM 1545 C GLU A 94 30.089 -20.534 11.870 1.00 0.32 C ATOM 1546 O GLU A 94 31.209 -20.722 11.438 1.00 0.39 O ATOM 1547 CB GLU A 94 30.270 -18.395 13.151 1.00 0.23 C ATOM 1548 CG GLU A 94 31.103 -17.236 12.594 1.00 0.83 C ATOM 1549 CD GLU A 94 30.206 -16.303 11.777 1.00 3.09 C ATOM 1550 OE1 GLU A 94 30.055 -16.547 10.591 1.00 4.83 O ATOM 1551 OE2 GLU A 94 29.689 -15.360 12.351 1.00 3.30 O ATOM 0 H GLU A 94 27.799 -18.556 13.095 1.00 0.30 H new ATOM 0 HA GLU A 94 29.728 -18.592 11.057 1.00 0.17 H new ATOM 0 HB2 GLU A 94 29.547 -18.021 13.876 1.00 0.23 H new ATOM 0 HB3 GLU A 94 30.914 -19.099 13.677 1.00 0.23 H new ATOM 0 HG2 GLU A 94 31.569 -16.685 13.411 1.00 0.83 H new ATOM 0 HG3 GLU A 94 31.908 -17.622 11.969 1.00 0.83 H new ATOM 1558 N GLN A 95 29.354 -21.552 12.239 1.00 0.54 N ATOM 1559 CA GLN A 95 29.934 -22.923 12.115 1.00 0.81 C ATOM 1560 C GLN A 95 29.017 -23.884 11.346 1.00 1.14 C ATOM 1561 O GLN A 95 27.815 -23.723 11.289 1.00 3.36 O ATOM 1562 CB GLN A 95 30.197 -23.485 13.510 1.00 2.31 C ATOM 1563 CG GLN A 95 31.667 -23.266 13.870 1.00 3.72 C ATOM 1564 CD GLN A 95 31.896 -21.790 14.197 1.00 5.99 C ATOM 1565 OE1 GLN A 95 31.235 -21.234 15.051 1.00 6.45 O ATOM 1566 NE2 GLN A 95 32.812 -21.125 13.545 1.00 8.00 N ATOM 0 H GLN A 95 28.405 -21.499 12.610 1.00 0.54 H new ATOM 0 HA GLN A 95 30.862 -22.836 11.550 1.00 0.81 H new ATOM 0 HB2 GLN A 95 29.554 -22.994 14.240 1.00 2.31 H new ATOM 0 HB3 GLN A 95 29.957 -24.548 13.538 1.00 2.31 H new ATOM 0 HG2 GLN A 95 31.940 -23.886 14.724 1.00 3.72 H new ATOM 0 HG3 GLN A 95 32.305 -23.569 13.040 1.00 3.72 H new ATOM 0 HE21 GLN A 95 33.367 -21.591 12.828 1.00 8.00 H new ATOM 0 HE22 GLN A 95 32.972 -20.139 13.753 1.00 8.00 H new ATOM 1575 N LYS A 96 29.613 -24.905 10.772 1.00 1.56 N ATOM 1576 CA LYS A 96 28.847 -25.937 10.007 1.00 2.41 C ATOM 1577 C LYS A 96 28.226 -25.344 8.738 1.00 1.32 C ATOM 1578 O LYS A 96 27.129 -25.696 8.356 1.00 0.87 O ATOM 1579 CB LYS A 96 27.745 -26.521 10.887 1.00 3.59 C ATOM 1580 CG LYS A 96 28.190 -27.890 11.407 1.00 5.30 C ATOM 1581 CD LYS A 96 28.848 -27.726 12.778 1.00 6.05 C ATOM 1582 CE LYS A 96 27.820 -27.195 13.776 1.00 7.74 C ATOM 1583 NZ LYS A 96 28.105 -27.756 15.125 1.00 8.92 N ATOM 0 H LYS A 96 30.620 -25.067 10.804 1.00 1.56 H new ATOM 0 HA LYS A 96 29.543 -26.723 9.713 1.00 2.41 H new ATOM 0 HB2 LYS A 96 27.536 -25.852 11.722 1.00 3.59 H new ATOM 0 HB3 LYS A 96 26.821 -26.618 10.317 1.00 3.59 H new ATOM 0 HG2 LYS A 96 27.333 -28.559 11.481 1.00 5.30 H new ATOM 0 HG3 LYS A 96 28.891 -28.346 10.708 1.00 5.30 H new ATOM 0 HD2 LYS A 96 29.243 -28.683 13.121 1.00 6.05 H new ATOM 0 HD3 LYS A 96 29.692 -27.039 12.709 1.00 6.05 H new ATOM 0 HE2 LYS A 96 27.856 -26.106 13.808 1.00 7.74 H new ATOM 0 HE3 LYS A 96 26.814 -27.471 13.460 1.00 7.74 H new ATOM 0 HZ1 LYS A 96 27.406 -27.396 15.806 1.00 8.92 H new ATOM 0 HZ2 LYS A 96 28.049 -28.794 15.088 1.00 8.92 H new ATOM 0 HZ3 LYS A 96 29.059 -27.471 15.425 1.00 8.92 H new ATOM 1597 N GLY A 97 28.924 -24.472 8.068 1.00 1.55 N ATOM 1598 CA GLY A 97 28.376 -23.882 6.811 1.00 1.36 C ATOM 1599 C GLY A 97 26.946 -23.375 7.035 1.00 1.14 C ATOM 1600 O GLY A 97 26.035 -23.719 6.308 1.00 1.13 O ATOM 0 H GLY A 97 29.851 -24.141 8.335 1.00 1.55 H new ATOM 0 HA2 GLY A 97 29.012 -23.061 6.480 1.00 1.36 H new ATOM 0 HA3 GLY A 97 28.383 -24.630 6.018 1.00 1.36 H new ATOM 1604 N LEU A 98 26.747 -22.544 8.019 1.00 1.15 N ATOM 1605 CA LEU A 98 25.385 -21.993 8.277 1.00 0.99 C ATOM 1606 C LEU A 98 25.306 -20.610 7.646 1.00 0.96 C ATOM 1607 O LEU A 98 26.309 -19.943 7.490 1.00 0.98 O ATOM 1608 CB LEU A 98 25.158 -21.830 9.773 1.00 0.86 C ATOM 1609 CG LEU A 98 24.616 -23.113 10.389 1.00 0.80 C ATOM 1610 CD1 LEU A 98 25.164 -24.333 9.640 1.00 0.78 C ATOM 1611 CD2 LEU A 98 25.045 -23.187 11.857 1.00 0.86 C ATOM 0 H LEU A 98 27.472 -22.220 8.660 1.00 1.15 H new ATOM 0 HA LEU A 98 24.639 -22.671 7.862 1.00 0.99 H new ATOM 0 HB2 LEU A 98 26.095 -21.558 10.258 1.00 0.86 H new ATOM 0 HB3 LEU A 98 24.458 -21.014 9.951 1.00 0.86 H new ATOM 0 HG LEU A 98 23.528 -23.111 10.317 1.00 0.80 H new ATOM 0 HD11 LEU A 98 24.769 -25.244 10.090 1.00 0.78 H new ATOM 0 HD12 LEU A 98 24.861 -24.284 8.594 1.00 0.78 H new ATOM 0 HD13 LEU A 98 26.252 -24.340 9.703 1.00 0.78 H new ATOM 0 HD21 LEU A 98 24.659 -24.104 12.303 1.00 0.86 H new ATOM 0 HD22 LEU A 98 26.133 -23.183 11.919 1.00 0.86 H new ATOM 0 HD23 LEU A 98 24.648 -22.327 12.396 1.00 0.86 H new ATOM 1623 N THR A 99 24.140 -20.157 7.279 1.00 0.94 N ATOM 1624 CA THR A 99 24.074 -18.803 6.661 1.00 0.94 C ATOM 1625 C THR A 99 23.231 -17.853 7.509 1.00 0.85 C ATOM 1626 O THR A 99 22.259 -18.238 8.128 1.00 0.78 O ATOM 1627 CB THR A 99 23.463 -18.896 5.260 1.00 1.10 C ATOM 1628 OG1 THR A 99 22.905 -20.188 5.072 1.00 1.15 O ATOM 1629 CG2 THR A 99 24.549 -18.647 4.212 1.00 1.23 C ATOM 0 H THR A 99 23.252 -20.649 7.376 1.00 0.94 H new ATOM 0 HA THR A 99 25.090 -18.414 6.599 1.00 0.94 H new ATOM 0 HB THR A 99 22.680 -18.145 5.154 1.00 1.10 H new ATOM 0 HG1 THR A 99 22.951 -20.429 4.123 1.00 1.15 H new ATOM 0 HG21 THR A 99 24.114 -18.713 3.215 1.00 1.23 H new ATOM 0 HG22 THR A 99 24.974 -17.654 4.357 1.00 1.23 H new ATOM 0 HG23 THR A 99 25.334 -19.396 4.316 1.00 1.23 H new ATOM 1637 N LEU A 100 23.579 -16.594 7.492 1.00 1.10 N ATOM 1638 CA LEU A 100 22.799 -15.592 8.227 1.00 1.00 C ATOM 1639 C LEU A 100 22.110 -14.730 7.186 1.00 1.08 C ATOM 1640 O LEU A 100 22.712 -14.199 6.275 1.00 1.22 O ATOM 1641 CB LEU A 100 23.711 -14.738 9.100 1.00 0.95 C ATOM 1642 CG LEU A 100 25.106 -14.735 8.502 1.00 0.75 C ATOM 1643 CD1 LEU A 100 25.040 -14.039 7.154 1.00 0.48 C ATOM 1644 CD2 LEU A 100 26.042 -13.973 9.433 1.00 0.85 C ATOM 0 H LEU A 100 24.385 -16.225 6.988 1.00 1.10 H new ATOM 0 HA LEU A 100 22.074 -16.070 8.886 1.00 1.00 H new ATOM 0 HB2 LEU A 100 23.326 -13.720 9.163 1.00 0.95 H new ATOM 0 HB3 LEU A 100 23.738 -15.133 10.116 1.00 0.95 H new ATOM 0 HG LEU A 100 25.477 -15.752 8.377 1.00 0.75 H new ATOM 0 HD11 LEU A 100 26.032 -14.024 6.703 1.00 0.48 H new ATOM 0 HD12 LEU A 100 24.353 -14.576 6.500 1.00 0.48 H new ATOM 0 HD13 LEU A 100 24.688 -13.016 7.289 1.00 0.48 H new ATOM 0 HD21 LEU A 100 27.047 -13.965 9.012 1.00 0.85 H new ATOM 0 HD22 LEU A 100 25.688 -12.948 9.546 1.00 0.85 H new ATOM 0 HD23 LEU A 100 26.061 -14.460 10.408 1.00 0.85 H new ATOM 1656 N VAL A 101 20.848 -14.630 7.289 1.00 1.00 N ATOM 1657 CA VAL A 101 20.088 -13.843 6.288 1.00 1.12 C ATOM 1658 C VAL A 101 18.888 -13.133 6.932 1.00 1.02 C ATOM 1659 O VAL A 101 18.106 -13.759 7.620 1.00 0.81 O ATOM 1660 CB VAL A 101 19.592 -14.812 5.210 1.00 1.15 C ATOM 1661 CG1 VAL A 101 18.410 -15.613 5.756 1.00 1.02 C ATOM 1662 CG2 VAL A 101 19.146 -14.032 3.973 1.00 1.27 C ATOM 0 H VAL A 101 20.286 -15.058 8.025 1.00 1.00 H new ATOM 0 HA VAL A 101 20.735 -13.077 5.861 1.00 1.12 H new ATOM 0 HB VAL A 101 20.402 -15.488 4.935 1.00 1.15 H new ATOM 0 HG11 VAL A 101 18.054 -16.304 4.991 1.00 1.02 H new ATOM 0 HG12 VAL A 101 18.726 -16.176 6.634 1.00 1.02 H new ATOM 0 HG13 VAL A 101 17.605 -14.932 6.032 1.00 1.02 H new ATOM 0 HG21 VAL A 101 18.795 -14.728 3.211 1.00 1.27 H new ATOM 0 HG22 VAL A 101 18.338 -13.352 4.243 1.00 1.27 H new ATOM 0 HG23 VAL A 101 19.987 -13.459 3.581 1.00 1.27 H new ATOM 1672 N PRO A 102 18.722 -11.870 6.624 1.00 1.22 N ATOM 1673 CA PRO A 102 17.560 -11.103 7.104 1.00 1.25 C ATOM 1674 C PRO A 102 16.388 -11.630 6.267 1.00 1.45 C ATOM 1675 O PRO A 102 16.283 -11.354 5.092 1.00 2.58 O ATOM 1676 CB PRO A 102 17.919 -9.650 6.770 1.00 1.49 C ATOM 1677 CG PRO A 102 18.985 -9.715 5.651 1.00 1.65 C ATOM 1678 CD PRO A 102 19.645 -11.103 5.763 1.00 1.49 C ATOM 0 HA PRO A 102 17.309 -11.184 8.162 1.00 1.25 H new ATOM 0 HB2 PRO A 102 17.040 -9.098 6.438 1.00 1.49 H new ATOM 0 HB3 PRO A 102 18.307 -9.133 7.648 1.00 1.49 H new ATOM 0 HG2 PRO A 102 18.528 -9.580 4.671 1.00 1.65 H new ATOM 0 HG3 PRO A 102 19.724 -8.922 5.771 1.00 1.65 H new ATOM 0 HD2 PRO A 102 19.760 -11.570 4.785 1.00 1.49 H new ATOM 0 HD3 PRO A 102 20.640 -11.037 6.203 1.00 1.49 H new ATOM 1686 N LEU A 103 15.588 -12.489 6.826 1.00 0.47 N ATOM 1687 CA LEU A 103 14.511 -13.150 6.025 1.00 0.58 C ATOM 1688 C LEU A 103 13.335 -12.237 5.644 1.00 0.73 C ATOM 1689 O LEU A 103 13.070 -12.041 4.475 1.00 1.09 O ATOM 1690 CB LEU A 103 14.005 -14.360 6.818 1.00 0.52 C ATOM 1691 CG LEU A 103 15.059 -15.463 6.757 1.00 1.56 C ATOM 1692 CD1 LEU A 103 14.816 -16.470 7.879 1.00 1.97 C ATOM 1693 CD2 LEU A 103 14.969 -16.173 5.405 1.00 2.16 C ATOM 0 H LEU A 103 15.629 -12.767 7.807 1.00 0.47 H new ATOM 0 HA LEU A 103 14.955 -13.441 5.073 1.00 0.58 H new ATOM 0 HB2 LEU A 103 13.812 -14.079 7.853 1.00 0.52 H new ATOM 0 HB3 LEU A 103 13.062 -14.716 6.403 1.00 0.52 H new ATOM 0 HG LEU A 103 16.050 -15.025 6.876 1.00 1.56 H new ATOM 0 HD11 LEU A 103 15.570 -17.256 7.832 1.00 1.97 H new ATOM 0 HD12 LEU A 103 14.879 -15.964 8.842 1.00 1.97 H new ATOM 0 HD13 LEU A 103 13.826 -16.910 7.764 1.00 1.97 H new ATOM 0 HD21 LEU A 103 15.720 -16.961 5.357 1.00 2.16 H new ATOM 0 HD22 LEU A 103 13.977 -16.609 5.289 1.00 2.16 H new ATOM 0 HD23 LEU A 103 15.146 -15.455 4.604 1.00 2.16 H new ATOM 1705 N LYS A 104 12.580 -11.738 6.577 1.00 0.64 N ATOM 1706 CA LYS A 104 11.388 -10.923 6.176 1.00 0.90 C ATOM 1707 C LYS A 104 11.487 -9.491 6.689 1.00 0.78 C ATOM 1708 O LYS A 104 11.889 -9.248 7.806 1.00 0.81 O ATOM 1709 CB LYS A 104 10.134 -11.558 6.782 1.00 1.17 C ATOM 1710 CG LYS A 104 9.228 -12.074 5.665 1.00 1.39 C ATOM 1711 CD LYS A 104 7.772 -11.728 5.979 1.00 1.16 C ATOM 1712 CE LYS A 104 6.848 -12.688 5.226 1.00 3.23 C ATOM 1713 NZ LYS A 104 6.074 -11.930 4.203 1.00 4.02 N ATOM 0 H LYS A 104 12.725 -11.851 7.580 1.00 0.64 H new ATOM 0 HA LYS A 104 11.343 -10.902 5.087 1.00 0.90 H new ATOM 0 HB2 LYS A 104 10.413 -12.377 7.445 1.00 1.17 H new ATOM 0 HB3 LYS A 104 9.600 -10.826 7.388 1.00 1.17 H new ATOM 0 HG2 LYS A 104 9.520 -11.630 4.713 1.00 1.39 H new ATOM 0 HG3 LYS A 104 9.341 -13.153 5.562 1.00 1.39 H new ATOM 0 HD2 LYS A 104 7.593 -11.800 7.052 1.00 1.16 H new ATOM 0 HD3 LYS A 104 7.560 -10.699 5.688 1.00 1.16 H new ATOM 0 HE2 LYS A 104 7.433 -13.473 4.747 1.00 3.23 H new ATOM 0 HE3 LYS A 104 6.168 -13.178 5.923 1.00 3.23 H new ATOM 0 HZ1 LYS A 104 5.801 -12.570 3.430 1.00 4.02 H new ATOM 0 HZ2 LYS A 104 5.219 -11.531 4.640 1.00 4.02 H new ATOM 0 HZ3 LYS A 104 6.661 -11.160 3.824 1.00 4.02 H new ATOM 1727 N ILE A 105 11.083 -8.547 5.881 1.00 0.69 N ATOM 1728 CA ILE A 105 11.107 -7.122 6.327 1.00 0.65 C ATOM 1729 C ILE A 105 9.658 -6.631 6.462 1.00 0.66 C ATOM 1730 O ILE A 105 8.786 -7.029 5.716 1.00 1.17 O ATOM 1731 CB ILE A 105 11.861 -6.253 5.306 1.00 0.73 C ATOM 1732 CG1 ILE A 105 13.248 -5.904 5.860 1.00 0.84 C ATOM 1733 CG2 ILE A 105 11.079 -4.962 5.053 1.00 1.15 C ATOM 1734 CD1 ILE A 105 14.171 -5.454 4.722 1.00 1.01 C ATOM 0 H ILE A 105 10.738 -8.700 4.933 1.00 0.69 H new ATOM 0 HA ILE A 105 11.621 -7.046 7.285 1.00 0.65 H new ATOM 0 HB ILE A 105 11.966 -6.803 4.371 1.00 0.73 H new ATOM 0 HG12 ILE A 105 13.162 -5.112 6.604 1.00 0.84 H new ATOM 0 HG13 ILE A 105 13.675 -6.771 6.364 1.00 0.84 H new ATOM 0 HG21 ILE A 105 11.615 -4.348 4.329 1.00 1.15 H new ATOM 0 HG22 ILE A 105 10.091 -5.206 4.661 1.00 1.15 H new ATOM 0 HG23 ILE A 105 10.973 -4.412 5.988 1.00 1.15 H new ATOM 0 HD11 ILE A 105 15.153 -5.208 5.126 1.00 1.01 H new ATOM 0 HD12 ILE A 105 14.269 -6.259 3.993 1.00 1.01 H new ATOM 0 HD13 ILE A 105 13.748 -4.574 4.237 1.00 1.01 H new ATOM 1746 N TYR A 106 9.403 -5.760 7.400 1.00 0.53 N ATOM 1747 CA TYR A 106 8.025 -5.219 7.591 1.00 0.39 C ATOM 1748 C TYR A 106 8.150 -3.704 7.622 1.00 0.55 C ATOM 1749 O TYR A 106 9.228 -3.195 7.807 1.00 0.91 O ATOM 1750 CB TYR A 106 7.424 -5.742 8.901 1.00 0.27 C ATOM 1751 CG TYR A 106 6.204 -6.573 8.578 1.00 0.14 C ATOM 1752 CD1 TYR A 106 6.355 -7.844 8.009 1.00 0.21 C ATOM 1753 CD2 TYR A 106 4.921 -6.069 8.829 1.00 0.18 C ATOM 1754 CE1 TYR A 106 5.227 -8.612 7.693 1.00 0.26 C ATOM 1755 CE2 TYR A 106 3.793 -6.838 8.516 1.00 0.08 C ATOM 1756 CZ TYR A 106 3.946 -8.109 7.947 1.00 0.15 C ATOM 1757 OH TYR A 106 2.835 -8.866 7.633 1.00 0.25 O ATOM 0 H TYR A 106 10.099 -5.395 8.051 1.00 0.53 H new ATOM 0 HA TYR A 106 7.363 -5.535 6.785 1.00 0.39 H new ATOM 0 HB2 TYR A 106 8.157 -6.342 9.440 1.00 0.27 H new ATOM 0 HB3 TYR A 106 7.153 -4.910 9.551 1.00 0.27 H new ATOM 0 HD1 TYR A 106 7.343 -8.233 7.813 1.00 0.21 H new ATOM 0 HD2 TYR A 106 4.802 -5.088 9.264 1.00 0.18 H new ATOM 0 HE1 TYR A 106 5.346 -9.591 7.254 1.00 0.26 H new ATOM 0 HE2 TYR A 106 2.804 -6.451 8.713 1.00 0.08 H new ATOM 0 HH TYR A 106 2.024 -8.372 7.874 1.00 0.25 H new ATOM 1767 N PHE A 107 7.109 -2.960 7.383 1.00 0.53 N ATOM 1768 CA PHE A 107 7.311 -1.485 7.352 1.00 0.65 C ATOM 1769 C PHE A 107 6.221 -0.683 8.113 1.00 0.48 C ATOM 1770 O PHE A 107 5.067 -1.057 8.138 1.00 0.70 O ATOM 1771 CB PHE A 107 7.309 -1.068 5.873 1.00 1.22 C ATOM 1772 CG PHE A 107 6.208 -0.079 5.654 1.00 3.88 C ATOM 1773 CD1 PHE A 107 6.353 1.208 6.153 1.00 4.26 C ATOM 1774 CD2 PHE A 107 5.046 -0.446 4.962 1.00 6.05 C ATOM 1775 CE1 PHE A 107 5.323 2.143 5.962 1.00 6.81 C ATOM 1776 CE2 PHE A 107 4.023 0.485 4.769 1.00 8.60 C ATOM 1777 CZ PHE A 107 4.161 1.780 5.271 1.00 8.97 C ATOM 0 H PHE A 107 6.159 -3.291 7.213 1.00 0.53 H new ATOM 0 HA PHE A 107 8.250 -1.258 7.857 1.00 0.65 H new ATOM 0 HB2 PHE A 107 8.270 -0.630 5.603 1.00 1.22 H new ATOM 0 HB3 PHE A 107 7.166 -1.940 5.235 1.00 1.22 H new ATOM 0 HD1 PHE A 107 7.251 1.488 6.684 1.00 4.26 H new ATOM 0 HD2 PHE A 107 4.941 -1.450 4.578 1.00 6.05 H new ATOM 0 HE1 PHE A 107 5.428 3.146 6.350 1.00 6.81 H new ATOM 0 HE2 PHE A 107 3.128 0.204 4.233 1.00 8.60 H new ATOM 0 HZ PHE A 107 3.371 2.502 5.126 1.00 8.97 H new ATOM 1787 N ASN A 108 6.589 0.472 8.673 1.00 0.29 N ATOM 1788 CA ASN A 108 5.588 1.360 9.359 1.00 0.41 C ATOM 1789 C ASN A 108 6.131 2.806 9.366 1.00 0.41 C ATOM 1790 O ASN A 108 7.325 3.026 9.309 1.00 0.15 O ATOM 1791 CB ASN A 108 5.324 0.887 10.790 1.00 0.47 C ATOM 1792 CG ASN A 108 3.821 0.692 11.003 1.00 0.93 C ATOM 1793 OD1 ASN A 108 3.015 1.303 10.331 1.00 1.05 O ATOM 1794 ND2 ASN A 108 3.408 -0.144 11.917 1.00 1.51 N ATOM 0 H ASN A 108 7.545 0.827 8.678 1.00 0.29 H new ATOM 0 HA ASN A 108 4.643 1.319 8.818 1.00 0.41 H new ATOM 0 HB2 ASN A 108 5.851 -0.049 10.977 1.00 0.47 H new ATOM 0 HB3 ASN A 108 5.710 1.618 11.501 1.00 0.47 H new ATOM 0 HD21 ASN A 108 2.409 -0.284 12.066 1.00 1.51 H new ATOM 0 HD22 ASN A 108 4.085 -0.657 12.482 1.00 1.51 H new ATOM 1801 N GLU A 109 5.261 3.789 9.399 1.00 0.80 N ATOM 1802 CA GLU A 109 5.727 5.221 9.367 1.00 0.83 C ATOM 1803 C GLU A 109 6.230 5.691 10.730 1.00 0.81 C ATOM 1804 O GLU A 109 6.846 6.734 10.835 1.00 0.81 O ATOM 1805 CB GLU A 109 4.593 6.139 8.909 1.00 0.90 C ATOM 1806 CG GLU A 109 5.195 7.459 8.417 1.00 0.81 C ATOM 1807 CD GLU A 109 4.402 7.975 7.215 1.00 0.67 C ATOM 1808 OE1 GLU A 109 3.461 7.307 6.820 1.00 2.10 O ATOM 1809 OE2 GLU A 109 4.750 9.029 6.711 1.00 0.89 O ATOM 0 H GLU A 109 4.250 3.666 9.447 1.00 0.80 H new ATOM 0 HA GLU A 109 6.556 5.270 8.661 1.00 0.83 H new ATOM 0 HB2 GLU A 109 4.022 5.664 8.111 1.00 0.90 H new ATOM 0 HB3 GLU A 109 3.901 6.323 9.731 1.00 0.90 H new ATOM 0 HG2 GLU A 109 5.179 8.197 9.219 1.00 0.81 H new ATOM 0 HG3 GLU A 109 6.239 7.312 8.140 1.00 0.81 H new ATOM 1816 N ARG A 110 6.002 4.954 11.775 1.00 0.83 N ATOM 1817 CA ARG A 110 6.505 5.409 13.102 1.00 0.80 C ATOM 1818 C ARG A 110 7.998 5.089 13.215 1.00 0.72 C ATOM 1819 O ARG A 110 8.543 5.028 14.297 1.00 0.70 O ATOM 1820 CB ARG A 110 5.746 4.699 14.229 1.00 0.85 C ATOM 1821 CG ARG A 110 5.861 5.533 15.509 1.00 1.61 C ATOM 1822 CD ARG A 110 5.440 4.690 16.717 1.00 2.37 C ATOM 1823 NE ARG A 110 6.460 4.826 17.797 1.00 2.70 N ATOM 1824 CZ ARG A 110 6.685 3.833 18.612 1.00 3.21 C ATOM 1825 NH1 ARG A 110 7.229 2.734 18.167 1.00 3.51 N ATOM 1826 NH2 ARG A 110 6.371 3.938 19.876 1.00 3.44 N ATOM 0 H ARG A 110 5.497 4.068 11.773 1.00 0.83 H new ATOM 0 HA ARG A 110 6.348 6.484 13.192 1.00 0.80 H new ATOM 0 HB2 ARG A 110 4.699 4.571 13.956 1.00 0.85 H new ATOM 0 HB3 ARG A 110 6.157 3.703 14.390 1.00 0.85 H new ATOM 0 HG2 ARG A 110 6.886 5.881 15.636 1.00 1.61 H new ATOM 0 HG3 ARG A 110 5.230 6.419 15.435 1.00 1.61 H new ATOM 0 HD2 ARG A 110 4.465 5.016 17.080 1.00 2.37 H new ATOM 0 HD3 ARG A 110 5.339 3.644 16.427 1.00 2.37 H new ATOM 0 HE ARG A 110 6.982 5.696 17.898 1.00 2.70 H new ATOM 0 HH11 ARG A 110 7.478 2.651 17.181 1.00 3.51 H new ATOM 0 HH12 ARG A 110 7.405 1.958 18.805 1.00 3.51 H new ATOM 0 HH21 ARG A 110 5.949 4.798 20.227 1.00 3.44 H new ATOM 0 HH22 ARG A 110 6.548 3.160 20.512 1.00 3.44 H new ATOM 1840 N GLY A 111 8.664 4.849 12.113 1.00 0.68 N ATOM 1841 CA GLY A 111 10.102 4.498 12.191 1.00 0.61 C ATOM 1842 C GLY A 111 10.168 3.058 12.640 1.00 0.46 C ATOM 1843 O GLY A 111 11.092 2.642 13.310 1.00 0.61 O ATOM 0 H GLY A 111 8.272 4.882 11.172 1.00 0.68 H new ATOM 0 HA2 GLY A 111 10.585 4.625 11.222 1.00 0.61 H new ATOM 0 HA3 GLY A 111 10.622 5.148 12.894 1.00 0.61 H new ATOM 1847 N TYR A 112 9.176 2.287 12.287 1.00 0.33 N ATOM 1848 CA TYR A 112 9.183 0.881 12.716 1.00 0.48 C ATOM 1849 C TYR A 112 8.929 -0.042 11.536 1.00 0.54 C ATOM 1850 O TYR A 112 7.816 -0.227 11.101 1.00 0.50 O ATOM 1851 CB TYR A 112 8.091 0.670 13.762 1.00 0.54 C ATOM 1852 CG TYR A 112 8.719 0.212 15.055 1.00 0.75 C ATOM 1853 CD1 TYR A 112 9.559 1.075 15.767 1.00 0.90 C ATOM 1854 CD2 TYR A 112 8.464 -1.075 15.539 1.00 0.85 C ATOM 1855 CE1 TYR A 112 10.146 0.650 16.964 1.00 1.12 C ATOM 1856 CE2 TYR A 112 9.051 -1.501 16.737 1.00 1.05 C ATOM 1857 CZ TYR A 112 9.892 -0.638 17.449 1.00 1.18 C ATOM 1858 OH TYR A 112 10.471 -1.058 18.629 1.00 1.41 O ATOM 0 H TYR A 112 8.374 2.575 11.726 1.00 0.33 H new ATOM 0 HA TYR A 112 10.161 0.649 13.138 1.00 0.48 H new ATOM 0 HB2 TYR A 112 7.540 1.597 13.921 1.00 0.54 H new ATOM 0 HB3 TYR A 112 7.373 -0.071 13.411 1.00 0.54 H new ATOM 0 HD1 TYR A 112 9.754 2.069 15.393 1.00 0.90 H new ATOM 0 HD2 TYR A 112 7.815 -1.740 14.989 1.00 0.85 H new ATOM 0 HE1 TYR A 112 10.795 1.316 17.514 1.00 1.12 H new ATOM 0 HE2 TYR A 112 8.855 -2.495 17.111 1.00 1.05 H new ATOM 0 HH TYR A 112 10.190 -1.977 18.823 1.00 1.41 H new ATOM 1868 N ALA A 113 9.943 -0.685 11.086 1.00 0.71 N ATOM 1869 CA ALA A 113 9.785 -1.681 10.010 1.00 0.88 C ATOM 1870 C ALA A 113 10.352 -2.946 10.652 1.00 0.93 C ATOM 1871 O ALA A 113 11.375 -2.889 11.301 1.00 1.00 O ATOM 1872 CB ALA A 113 10.540 -1.227 8.743 1.00 1.09 C ATOM 0 H ALA A 113 10.898 -0.564 11.422 1.00 0.71 H new ATOM 0 HA ALA A 113 8.763 -1.831 9.663 1.00 0.88 H new ATOM 0 HB1 ALA A 113 10.414 -1.972 7.958 1.00 1.09 H new ATOM 0 HB2 ALA A 113 10.140 -0.271 8.404 1.00 1.09 H new ATOM 0 HB3 ALA A 113 11.600 -1.116 8.971 1.00 1.09 H new ATOM 1878 N LYS A 114 9.681 -4.059 10.599 1.00 0.88 N ATOM 1879 CA LYS A 114 10.233 -5.226 11.361 1.00 0.86 C ATOM 1880 C LYS A 114 10.973 -6.218 10.471 1.00 0.93 C ATOM 1881 O LYS A 114 10.498 -6.649 9.444 1.00 0.96 O ATOM 1882 CB LYS A 114 9.085 -5.959 12.069 1.00 0.69 C ATOM 1883 CG LYS A 114 8.238 -4.956 12.860 1.00 1.10 C ATOM 1884 CD LYS A 114 8.426 -5.192 14.364 1.00 1.10 C ATOM 1885 CE LYS A 114 9.837 -4.766 14.781 1.00 3.05 C ATOM 1886 NZ LYS A 114 10.409 -5.770 15.725 1.00 3.84 N ATOM 0 H LYS A 114 8.813 -4.217 10.088 1.00 0.88 H new ATOM 0 HA LYS A 114 10.950 -4.828 12.079 1.00 0.86 H new ATOM 0 HB2 LYS A 114 8.464 -6.475 11.337 1.00 0.69 H new ATOM 0 HB3 LYS A 114 9.486 -6.719 12.740 1.00 0.69 H new ATOM 0 HG2 LYS A 114 8.529 -3.937 12.603 1.00 1.10 H new ATOM 0 HG3 LYS A 114 7.186 -5.064 12.594 1.00 1.10 H new ATOM 0 HD2 LYS A 114 7.684 -4.626 14.926 1.00 1.10 H new ATOM 0 HD3 LYS A 114 8.269 -6.245 14.599 1.00 1.10 H new ATOM 0 HE2 LYS A 114 10.474 -4.676 13.901 1.00 3.05 H new ATOM 0 HE3 LYS A 114 9.806 -3.785 15.254 1.00 3.05 H new ATOM 0 HZ1 LYS A 114 11.367 -5.477 16.005 1.00 3.84 H new ATOM 0 HZ2 LYS A 114 9.806 -5.835 16.570 1.00 3.84 H new ATOM 0 HZ3 LYS A 114 10.454 -6.699 15.259 1.00 3.84 H new ATOM 1900 N VAL A 115 12.141 -6.606 10.906 1.00 0.95 N ATOM 1901 CA VAL A 115 12.947 -7.589 10.138 1.00 0.95 C ATOM 1902 C VAL A 115 13.219 -8.817 11.008 1.00 0.74 C ATOM 1903 O VAL A 115 13.389 -8.715 12.200 1.00 0.87 O ATOM 1904 CB VAL A 115 14.281 -6.951 9.748 1.00 1.12 C ATOM 1905 CG1 VAL A 115 15.296 -8.048 9.416 1.00 0.96 C ATOM 1906 CG2 VAL A 115 14.079 -6.058 8.526 1.00 1.40 C ATOM 0 H VAL A 115 12.573 -6.279 11.770 1.00 0.95 H new ATOM 0 HA VAL A 115 12.400 -7.886 9.243 1.00 0.95 H new ATOM 0 HB VAL A 115 14.654 -6.352 10.579 1.00 1.12 H new ATOM 0 HG11 VAL A 115 16.246 -7.592 9.138 1.00 0.96 H new ATOM 0 HG12 VAL A 115 15.441 -8.686 10.288 1.00 0.96 H new ATOM 0 HG13 VAL A 115 14.925 -8.648 8.585 1.00 0.96 H new ATOM 0 HG21 VAL A 115 15.029 -5.603 8.247 1.00 1.40 H new ATOM 0 HG22 VAL A 115 13.706 -6.657 7.695 1.00 1.40 H new ATOM 0 HG23 VAL A 115 13.357 -5.276 8.762 1.00 1.40 H new ATOM 1916 N LEU A 116 13.274 -9.975 10.420 1.00 0.51 N ATOM 1917 CA LEU A 116 13.562 -11.202 11.214 1.00 0.28 C ATOM 1918 C LEU A 116 14.658 -11.988 10.498 1.00 0.37 C ATOM 1919 O LEU A 116 14.520 -12.322 9.340 1.00 0.60 O ATOM 1920 CB LEU A 116 12.297 -12.059 11.327 1.00 0.12 C ATOM 1921 CG LEU A 116 12.247 -12.714 12.712 1.00 0.44 C ATOM 1922 CD1 LEU A 116 10.797 -12.783 13.197 1.00 0.75 C ATOM 1923 CD2 LEU A 116 12.822 -14.129 12.628 1.00 0.68 C ATOM 0 H LEU A 116 13.132 -10.128 9.422 1.00 0.51 H new ATOM 0 HA LEU A 116 13.888 -10.931 12.218 1.00 0.28 H new ATOM 0 HB2 LEU A 116 11.412 -11.442 11.172 1.00 0.12 H new ATOM 0 HB3 LEU A 116 12.292 -12.824 10.551 1.00 0.12 H new ATOM 0 HG LEU A 116 12.835 -12.121 13.412 1.00 0.44 H new ATOM 0 HD11 LEU A 116 10.765 -13.249 14.182 1.00 0.75 H new ATOM 0 HD12 LEU A 116 10.386 -11.775 13.259 1.00 0.75 H new ATOM 0 HD13 LEU A 116 10.207 -13.374 12.496 1.00 0.75 H new ATOM 0 HD21 LEU A 116 12.787 -14.595 13.613 1.00 0.68 H new ATOM 0 HD22 LEU A 116 12.234 -14.720 11.926 1.00 0.68 H new ATOM 0 HD23 LEU A 116 13.856 -14.082 12.286 1.00 0.68 H new ATOM 1935 N LEU A 117 15.744 -12.294 11.159 1.00 0.47 N ATOM 1936 CA LEU A 117 16.813 -13.063 10.462 1.00 0.56 C ATOM 1937 C LEU A 117 16.712 -14.517 10.840 1.00 0.24 C ATOM 1938 O LEU A 117 16.374 -14.861 11.955 1.00 0.39 O ATOM 1939 CB LEU A 117 18.211 -12.581 10.849 1.00 1.07 C ATOM 1940 CG LEU A 117 19.240 -13.593 10.336 1.00 0.91 C ATOM 1941 CD1 LEU A 117 20.481 -12.850 9.831 1.00 2.20 C ATOM 1942 CD2 LEU A 117 19.629 -14.558 11.461 1.00 2.83 C ATOM 0 H LEU A 117 15.934 -12.050 12.131 1.00 0.47 H new ATOM 0 HA LEU A 117 16.670 -12.915 9.392 1.00 0.56 H new ATOM 0 HB2 LEU A 117 18.403 -11.597 10.421 1.00 1.07 H new ATOM 0 HB3 LEU A 117 18.289 -12.479 11.931 1.00 1.07 H new ATOM 0 HG LEU A 117 18.805 -14.165 9.516 1.00 0.91 H new ATOM 0 HD11 LEU A 117 21.213 -13.570 9.466 1.00 2.20 H new ATOM 0 HD12 LEU A 117 20.198 -12.178 9.021 1.00 2.20 H new ATOM 0 HD13 LEU A 117 20.916 -12.272 10.646 1.00 2.20 H new ATOM 0 HD21 LEU A 117 20.361 -15.275 11.089 1.00 2.83 H new ATOM 0 HD22 LEU A 117 20.060 -13.996 12.290 1.00 2.83 H new ATOM 0 HD23 LEU A 117 18.743 -15.091 11.806 1.00 2.83 H new ATOM 1954 N GLY A 118 17.016 -15.380 9.929 1.00 0.18 N ATOM 1955 CA GLY A 118 16.945 -16.803 10.263 1.00 0.26 C ATOM 1956 C GLY A 118 18.269 -17.487 9.950 1.00 0.34 C ATOM 1957 O GLY A 118 18.623 -17.699 8.807 1.00 0.52 O ATOM 0 H GLY A 118 17.308 -15.160 8.977 1.00 0.18 H new ATOM 0 HA2 GLY A 118 16.707 -16.924 11.320 1.00 0.26 H new ATOM 0 HA3 GLY A 118 16.141 -17.276 9.699 1.00 0.26 H new ATOM 1961 N LEU A 119 18.966 -17.896 10.965 1.00 0.37 N ATOM 1962 CA LEU A 119 20.229 -18.636 10.745 1.00 0.39 C ATOM 1963 C LEU A 119 19.808 -20.024 10.349 1.00 0.42 C ATOM 1964 O LEU A 119 19.086 -20.681 11.062 1.00 0.40 O ATOM 1965 CB LEU A 119 21.062 -18.674 12.035 1.00 0.40 C ATOM 1966 CG LEU A 119 21.531 -20.120 12.392 1.00 0.50 C ATOM 1967 CD1 LEU A 119 22.164 -20.864 11.202 1.00 0.65 C ATOM 1968 CD2 LEU A 119 22.570 -20.043 13.509 1.00 0.42 C ATOM 0 H LEU A 119 18.713 -17.749 11.942 1.00 0.37 H new ATOM 0 HA LEU A 119 20.850 -18.165 9.983 1.00 0.39 H new ATOM 0 HB2 LEU A 119 21.933 -18.029 11.922 1.00 0.40 H new ATOM 0 HB3 LEU A 119 20.472 -18.272 12.858 1.00 0.40 H new ATOM 0 HG LEU A 119 20.643 -20.674 12.696 1.00 0.50 H new ATOM 0 HD11 LEU A 119 22.468 -21.862 11.517 1.00 0.65 H new ATOM 0 HD12 LEU A 119 21.436 -20.944 10.394 1.00 0.65 H new ATOM 0 HD13 LEU A 119 23.036 -20.313 10.851 1.00 0.65 H new ATOM 0 HD21 LEU A 119 22.904 -21.048 13.765 1.00 0.42 H new ATOM 0 HD22 LEU A 119 23.422 -19.452 13.173 1.00 0.42 H new ATOM 0 HD23 LEU A 119 22.126 -19.573 14.387 1.00 0.42 H new ATOM 1980 N ALA A 120 20.228 -20.478 9.223 1.00 0.50 N ATOM 1981 CA ALA A 120 19.812 -21.827 8.803 1.00 0.49 C ATOM 1982 C ALA A 120 21.014 -22.737 8.790 1.00 0.46 C ATOM 1983 O ALA A 120 22.055 -22.402 8.260 1.00 0.46 O ATOM 1984 CB ALA A 120 19.223 -21.757 7.405 1.00 0.48 C ATOM 0 H ALA A 120 20.838 -19.980 8.575 1.00 0.50 H new ATOM 0 HA ALA A 120 19.066 -22.213 9.497 1.00 0.49 H new ATOM 0 HB1 ALA A 120 18.914 -22.754 7.090 1.00 0.48 H new ATOM 0 HB2 ALA A 120 18.359 -21.093 7.407 1.00 0.48 H new ATOM 0 HB3 ALA A 120 19.973 -21.374 6.713 1.00 0.48 H new ATOM 1990 N ARG A 121 20.880 -23.897 9.338 1.00 0.43 N ATOM 1991 CA ARG A 121 22.028 -24.818 9.309 1.00 0.39 C ATOM 1992 C ARG A 121 21.806 -25.750 8.123 1.00 0.35 C ATOM 1993 O ARG A 121 20.898 -26.542 8.100 1.00 0.29 O ATOM 1994 CB ARG A 121 22.112 -25.590 10.630 1.00 0.40 C ATOM 1995 CG ARG A 121 20.753 -25.570 11.332 1.00 0.44 C ATOM 1996 CD ARG A 121 20.822 -26.387 12.618 1.00 0.69 C ATOM 1997 NE ARG A 121 19.471 -26.940 12.911 1.00 1.93 N ATOM 1998 CZ ARG A 121 19.257 -27.591 14.020 1.00 2.38 C ATOM 1999 NH1 ARG A 121 20.109 -28.494 14.423 1.00 1.34 N ATOM 2000 NH2 ARG A 121 18.191 -27.336 14.727 1.00 3.94 N ATOM 0 H ARG A 121 20.039 -24.244 9.798 1.00 0.43 H new ATOM 0 HA ARG A 121 22.973 -24.287 9.196 1.00 0.39 H new ATOM 0 HB2 ARG A 121 22.418 -26.619 10.441 1.00 0.40 H new ATOM 0 HB3 ARG A 121 22.870 -25.145 11.274 1.00 0.40 H new ATOM 0 HG2 ARG A 121 20.466 -24.543 11.558 1.00 0.44 H new ATOM 0 HG3 ARG A 121 19.987 -25.978 10.672 1.00 0.44 H new ATOM 0 HD2 ARG A 121 21.545 -27.195 12.513 1.00 0.69 H new ATOM 0 HD3 ARG A 121 21.161 -25.762 13.444 1.00 0.69 H new ATOM 0 HE ARG A 121 18.712 -26.809 12.243 1.00 1.93 H new ATOM 0 HH11 ARG A 121 20.943 -28.691 13.870 1.00 1.34 H new ATOM 0 HH12 ARG A 121 19.941 -29.003 15.291 1.00 1.34 H new ATOM 0 HH21 ARG A 121 17.527 -26.629 14.412 1.00 3.94 H new ATOM 0 HH22 ARG A 121 18.021 -27.844 15.595 1.00 3.94 H new ATOM 2014 N GLY A 122 22.614 -25.640 7.119 1.00 0.37 N ATOM 2015 CA GLY A 122 22.411 -26.494 5.916 1.00 0.31 C ATOM 2016 C GLY A 122 23.285 -25.962 4.780 1.00 2.23 C ATOM 2017 O GLY A 122 23.662 -26.685 3.879 1.00 2.86 O ATOM 0 H GLY A 122 23.406 -24.999 7.072 1.00 0.37 H new ATOM 0 HA2 GLY A 122 22.671 -27.529 6.140 1.00 0.31 H new ATOM 0 HA3 GLY A 122 21.362 -26.486 5.620 1.00 0.31 H new ATOM 2021 N LYS A 123 23.608 -24.694 4.823 1.00 3.86 N ATOM 2022 CA LYS A 123 24.457 -24.090 3.756 1.00 6.33 C ATOM 2023 C LYS A 123 23.652 -23.976 2.462 1.00 8.43 C ATOM 2024 O LYS A 123 23.638 -24.937 1.709 1.00 9.26 O ATOM 2025 CB LYS A 123 25.689 -24.964 3.515 1.00 5.99 C ATOM 2026 CG LYS A 123 26.834 -24.087 3.001 1.00 6.01 C ATOM 2027 CD LYS A 123 27.124 -24.429 1.539 1.00 7.22 C ATOM 2028 CE LYS A 123 26.671 -23.275 0.643 1.00 7.73 C ATOM 2029 NZ LYS A 123 27.351 -22.020 1.069 1.00 7.26 N ATOM 0 H LYS A 123 23.317 -24.049 5.557 1.00 3.86 H new ATOM 0 HA LYS A 123 24.777 -23.098 4.074 1.00 6.33 H new ATOM 0 HB2 LYS A 123 25.983 -25.462 4.439 1.00 5.99 H new ATOM 0 HB3 LYS A 123 25.460 -25.745 2.790 1.00 5.99 H new ATOM 0 HG2 LYS A 123 26.569 -23.034 3.093 1.00 6.01 H new ATOM 0 HG3 LYS A 123 27.727 -24.245 3.606 1.00 6.01 H new ATOM 0 HD2 LYS A 123 28.190 -24.612 1.402 1.00 7.22 H new ATOM 0 HD3 LYS A 123 26.605 -25.346 1.259 1.00 7.22 H new ATOM 0 HE2 LYS A 123 26.908 -23.494 -0.398 1.00 7.73 H new ATOM 0 HE3 LYS A 123 25.589 -23.155 0.706 1.00 7.73 H new ATOM 0 HZ1 LYS A 123 27.596 -21.456 0.230 1.00 7.26 H new ATOM 0 HZ2 LYS A 123 26.714 -21.471 1.681 1.00 7.26 H new ATOM 0 HZ3 LYS A 123 28.218 -22.256 1.593 1.00 7.26 H new TER 2043 LYS A 123