USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=21 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 Set 1.1: A 7 ASN : amide:sc= -5.26! C(o=-4.2!,f=-16!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 149:sc= 1.08 (180deg=-0.0151) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0313) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.057 F(o=-0.56,f=-0.057) USER MOD Single : A 14 TYR OH : rot -118:sc= -1.84! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 0:sc= -2.49! USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.141) USER MOD Single : A 29 THR OG1 : rot -120:sc= 0.0126 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 120:sc= -0.239 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 44 SER OG : rot 124:sc= -0.605 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 57 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.4!) 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 USER MOD Single : A 68 TYR OH : rot -67:sc= 0.715 USER MOD Single : A 70 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.58) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.14) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.82 F(o=-2.8!,f=-1.8) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 108 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.2) 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+ -94:sc= -0.481 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.534 -4.164 1.408 1.00 1.41 N ATOM 2 CA MET A 1 -2.289 -4.814 0.091 1.00 1.34 C ATOM 3 C MET A 1 -1.156 -5.834 0.226 1.00 1.28 C ATOM 4 O MET A 1 -1.233 -6.931 -0.291 1.00 2.48 O ATOM 5 CB MET A 1 -1.896 -3.753 -0.940 1.00 0.97 C ATOM 6 CG MET A 1 -1.791 -4.398 -2.323 1.00 2.72 C ATOM 7 SD MET A 1 -1.753 -3.108 -3.593 1.00 4.23 S ATOM 8 CE MET A 1 -3.294 -3.564 -4.424 1.00 4.31 C ATOM 0 H1 MET A 1 -3.358 -3.534 1.336 1.00 1.41 H new ATOM 0 H2 MET A 1 -2.717 -4.893 2.126 1.00 1.41 H new ATOM 0 H3 MET A 1 -1.698 -3.610 1.683 1.00 1.41 H new ATOM 0 HA MET A 1 -3.198 -5.320 -0.236 1.00 1.34 H new ATOM 0 HB2 MET A 1 -2.637 -2.954 -0.955 1.00 0.97 H new ATOM 0 HB3 MET A 1 -0.944 -3.299 -0.666 1.00 0.97 H new ATOM 0 HG2 MET A 1 -0.890 -5.009 -2.383 1.00 2.72 H new ATOM 0 HG3 MET A 1 -2.638 -5.063 -2.491 1.00 2.72 H new ATOM 0 HE1 MET A 1 -3.472 -2.885 -5.258 1.00 4.31 H new ATOM 0 HE2 MET A 1 -3.218 -4.585 -4.797 1.00 4.31 H new ATOM 0 HE3 MET A 1 -4.122 -3.496 -3.718 1.00 4.31 H new ATOM 20 N ALA A 2 -0.105 -5.484 0.916 1.00 0.95 N ATOM 21 CA ALA A 2 1.028 -6.437 1.078 1.00 1.32 C ATOM 22 C ALA A 2 2.172 -5.751 1.832 1.00 0.89 C ATOM 23 O ALA A 2 2.376 -4.561 1.699 1.00 0.81 O ATOM 24 CB ALA A 2 1.516 -6.886 -0.302 1.00 1.79 C ATOM 0 H ALA A 2 0.018 -4.581 1.374 1.00 0.95 H new ATOM 0 HA ALA A 2 0.695 -7.306 1.645 1.00 1.32 H new ATOM 0 HB1 ALA A 2 2.345 -7.584 -0.185 1.00 1.79 H new ATOM 0 HB2 ALA A 2 0.701 -7.377 -0.834 1.00 1.79 H new ATOM 0 HB3 ALA A 2 1.849 -6.018 -0.870 1.00 1.79 H new ATOM 30 N PRO A 3 2.881 -6.531 2.606 1.00 0.72 N ATOM 31 CA PRO A 3 4.020 -6.043 3.411 1.00 0.35 C ATOM 32 C PRO A 3 5.273 -5.870 2.545 1.00 0.39 C ATOM 33 O PRO A 3 5.434 -6.522 1.532 1.00 0.71 O ATOM 34 CB PRO A 3 4.229 -7.156 4.441 1.00 0.47 C ATOM 35 CG PRO A 3 3.603 -8.437 3.836 1.00 0.75 C ATOM 36 CD PRO A 3 2.609 -7.975 2.755 1.00 0.94 C ATOM 0 HA PRO A 3 3.831 -5.069 3.862 1.00 0.35 H new ATOM 0 HB2 PRO A 3 5.290 -7.302 4.645 1.00 0.47 H new ATOM 0 HB3 PRO A 3 3.754 -6.902 5.389 1.00 0.47 H new ATOM 0 HG2 PRO A 3 4.373 -9.078 3.406 1.00 0.75 H new ATOM 0 HG3 PRO A 3 3.096 -9.020 4.605 1.00 0.75 H new ATOM 0 HD2 PRO A 3 2.764 -8.508 1.817 1.00 0.94 H new ATOM 0 HD3 PRO A 3 1.578 -8.157 3.058 1.00 0.94 H new ATOM 44 N VAL A 4 6.168 -5.001 2.943 1.00 0.28 N ATOM 45 CA VAL A 4 7.415 -4.787 2.158 1.00 0.58 C ATOM 46 C VAL A 4 8.344 -6.016 2.295 1.00 0.38 C ATOM 47 O VAL A 4 8.632 -6.462 3.386 1.00 0.43 O ATOM 48 CB VAL A 4 8.121 -3.574 2.753 1.00 0.83 C ATOM 49 CG1 VAL A 4 7.086 -2.492 3.056 1.00 2.51 C ATOM 50 CG2 VAL A 4 8.803 -3.990 4.052 1.00 1.26 C ATOM 0 H VAL A 4 6.085 -4.429 3.783 1.00 0.28 H new ATOM 0 HA VAL A 4 7.178 -4.638 1.105 1.00 0.58 H new ATOM 0 HB VAL A 4 8.860 -3.190 2.050 1.00 0.83 H new ATOM 0 HG11 VAL A 4 7.584 -1.621 3.482 1.00 2.51 H new ATOM 0 HG12 VAL A 4 6.579 -2.205 2.135 1.00 2.51 H new ATOM 0 HG13 VAL A 4 6.355 -2.876 3.768 1.00 2.51 H new ATOM 0 HG21 VAL A 4 9.312 -3.130 4.487 1.00 1.26 H new ATOM 0 HG22 VAL A 4 8.055 -4.362 4.752 1.00 1.26 H new ATOM 0 HG23 VAL A 4 9.530 -4.776 3.846 1.00 1.26 H new ATOM 60 N LEU A 5 8.855 -6.531 1.204 1.00 0.25 N ATOM 61 CA LEU A 5 9.815 -7.687 1.275 1.00 0.14 C ATOM 62 C LEU A 5 9.215 -8.912 2.007 1.00 0.19 C ATOM 63 O LEU A 5 8.373 -8.786 2.874 1.00 0.23 O ATOM 64 CB LEU A 5 11.077 -7.207 1.993 1.00 0.14 C ATOM 65 CG LEU A 5 11.236 -5.691 1.781 1.00 0.29 C ATOM 66 CD1 LEU A 5 12.558 -5.212 2.376 1.00 0.41 C ATOM 67 CD2 LEU A 5 11.211 -5.381 0.281 1.00 0.31 C ATOM 0 H LEU A 5 8.650 -6.202 0.261 1.00 0.25 H new ATOM 0 HA LEU A 5 10.042 -8.017 0.261 1.00 0.14 H new ATOM 0 HB2 LEU A 5 11.012 -7.432 3.057 1.00 0.14 H new ATOM 0 HB3 LEU A 5 11.951 -7.733 1.609 1.00 0.14 H new ATOM 0 HG LEU A 5 10.415 -5.175 2.278 1.00 0.29 H new ATOM 0 HD11 LEU A 5 12.659 -4.138 2.220 1.00 0.41 H new ATOM 0 HD12 LEU A 5 12.575 -5.427 3.445 1.00 0.41 H new ATOM 0 HD13 LEU A 5 13.385 -5.729 1.889 1.00 0.41 H new ATOM 0 HD21 LEU A 5 11.324 -4.307 0.129 1.00 0.31 H new ATOM 0 HD22 LEU A 5 12.030 -5.905 -0.213 1.00 0.31 H new ATOM 0 HD23 LEU A 5 10.262 -5.710 -0.143 1.00 0.31 H new ATOM 79 N GLU A 6 9.647 -10.106 1.629 1.00 0.23 N ATOM 80 CA GLU A 6 9.107 -11.368 2.262 1.00 0.32 C ATOM 81 C GLU A 6 10.222 -12.421 2.505 1.00 0.33 C ATOM 82 O GLU A 6 11.230 -12.446 1.828 1.00 0.28 O ATOM 83 CB GLU A 6 8.031 -11.969 1.358 1.00 0.39 C ATOM 84 CG GLU A 6 8.177 -13.492 1.337 1.00 1.38 C ATOM 85 CD GLU A 6 7.041 -14.101 0.512 1.00 1.19 C ATOM 86 OE1 GLU A 6 5.915 -13.662 0.674 1.00 0.70 O ATOM 87 OE2 GLU A 6 7.317 -15.001 -0.265 1.00 1.57 O ATOM 0 H GLU A 6 10.352 -10.259 0.908 1.00 0.23 H new ATOM 0 HA GLU A 6 8.686 -11.100 3.231 1.00 0.32 H new ATOM 0 HB2 GLU A 6 7.041 -11.693 1.720 1.00 0.39 H new ATOM 0 HB3 GLU A 6 8.124 -11.570 0.348 1.00 0.39 H new ATOM 0 HG2 GLU A 6 9.141 -13.770 0.910 1.00 1.38 H new ATOM 0 HG3 GLU A 6 8.154 -13.885 2.354 1.00 1.38 H new ATOM 94 N ASN A 7 10.026 -13.288 3.483 1.00 0.42 N ATOM 95 CA ASN A 7 11.036 -14.355 3.818 1.00 0.44 C ATOM 96 C ASN A 7 10.828 -15.603 2.951 1.00 0.47 C ATOM 97 O ASN A 7 10.228 -16.574 3.369 1.00 0.51 O ATOM 98 CB ASN A 7 10.873 -14.760 5.286 1.00 0.48 C ATOM 99 CG ASN A 7 9.480 -15.356 5.501 1.00 0.54 C ATOM 100 OD1 ASN A 7 8.496 -14.642 5.523 1.00 0.45 O ATOM 101 ND2 ASN A 7 9.353 -16.645 5.662 1.00 0.70 N ATOM 0 H ASN A 7 9.193 -13.300 4.072 1.00 0.42 H new ATOM 0 HA ASN A 7 12.031 -13.951 3.632 1.00 0.44 H new ATOM 0 HB2 ASN A 7 11.637 -15.487 5.560 1.00 0.48 H new ATOM 0 HB3 ASN A 7 11.012 -13.892 5.931 1.00 0.48 H new ATOM 0 HD21 ASN A 7 8.429 -17.052 5.806 1.00 0.70 H new ATOM 0 HD22 ASN A 7 10.178 -17.245 5.644 1.00 0.70 H new ATOM 108 N ARG A 8 11.314 -15.575 1.749 1.00 0.45 N ATOM 109 CA ARG A 8 11.151 -16.746 0.828 1.00 0.48 C ATOM 110 C ARG A 8 12.131 -17.897 1.136 1.00 0.45 C ATOM 111 O ARG A 8 11.787 -19.056 1.041 1.00 0.48 O ATOM 112 CB ARG A 8 11.437 -16.302 -0.603 1.00 0.51 C ATOM 113 CG ARG A 8 11.767 -17.542 -1.437 1.00 0.79 C ATOM 114 CD ARG A 8 11.440 -17.282 -2.907 1.00 1.42 C ATOM 115 NE ARG A 8 12.688 -17.392 -3.714 1.00 1.74 N ATOM 116 CZ ARG A 8 12.636 -17.326 -5.015 1.00 2.31 C ATOM 117 NH1 ARG A 8 11.857 -18.131 -5.682 1.00 1.37 N ATOM 118 NH2 ARG A 8 13.372 -16.455 -5.650 1.00 3.83 N ATOM 0 H ARG A 8 11.824 -14.786 1.352 1.00 0.45 H new ATOM 0 HA ARG A 8 10.130 -17.104 0.964 1.00 0.48 H new ATOM 0 HB2 ARG A 8 10.573 -15.784 -1.019 1.00 0.51 H new ATOM 0 HB3 ARG A 8 12.270 -15.599 -0.623 1.00 0.51 H new ATOM 0 HG2 ARG A 8 12.822 -17.793 -1.329 1.00 0.79 H new ATOM 0 HG3 ARG A 8 11.197 -18.397 -1.074 1.00 0.79 H new ATOM 0 HD2 ARG A 8 10.700 -18.000 -3.260 1.00 1.42 H new ATOM 0 HD3 ARG A 8 11.003 -16.290 -3.025 1.00 1.42 H new ATOM 0 HE ARG A 8 13.586 -17.519 -3.247 1.00 1.74 H new ATOM 0 HH11 ARG A 8 11.286 -18.815 -5.186 1.00 1.37 H new ATOM 0 HH12 ARG A 8 11.819 -18.077 -6.700 1.00 1.37 H new ATOM 0 HH21 ARG A 8 13.985 -15.829 -5.128 1.00 3.83 H new ATOM 0 HH22 ARG A 8 13.334 -16.401 -6.668 1.00 3.83 H new ATOM 132 N ARG A 9 13.368 -17.582 1.405 1.00 0.41 N ATOM 133 CA ARG A 9 14.408 -18.648 1.610 1.00 0.38 C ATOM 134 C ARG A 9 14.124 -19.604 2.774 1.00 0.32 C ATOM 135 O ARG A 9 14.580 -20.725 2.754 1.00 0.24 O ATOM 136 CB ARG A 9 15.757 -17.981 1.871 1.00 0.39 C ATOM 137 CG ARG A 9 16.880 -19.000 1.663 1.00 0.42 C ATOM 138 CD ARG A 9 17.683 -19.131 2.957 1.00 1.39 C ATOM 139 NE ARG A 9 18.882 -19.983 2.726 1.00 1.77 N ATOM 140 CZ ARG A 9 19.770 -20.125 3.672 1.00 1.64 C ATOM 141 NH1 ARG A 9 19.808 -19.277 4.666 1.00 2.31 N ATOM 142 NH2 ARG A 9 20.618 -21.115 3.630 1.00 2.47 N ATOM 0 H ARG A 9 13.712 -16.626 1.494 1.00 0.41 H new ATOM 0 HA ARG A 9 14.401 -19.247 0.699 1.00 0.38 H new ATOM 0 HB2 ARG A 9 15.892 -17.134 1.199 1.00 0.39 H new ATOM 0 HB3 ARG A 9 15.790 -17.590 2.888 1.00 0.39 H new ATOM 0 HG2 ARG A 9 16.463 -19.966 1.380 1.00 0.42 H new ATOM 0 HG3 ARG A 9 17.530 -18.682 0.848 1.00 0.42 H new ATOM 0 HD2 ARG A 9 17.989 -18.145 3.307 1.00 1.39 H new ATOM 0 HD3 ARG A 9 17.061 -19.568 3.738 1.00 1.39 H new ATOM 0 HE ARG A 9 19.009 -20.455 1.831 1.00 1.77 H new ATOM 0 HH11 ARG A 9 19.144 -18.504 4.703 1.00 2.31 H new ATOM 0 HH12 ARG A 9 20.502 -19.388 5.405 1.00 2.31 H new ATOM 0 HH21 ARG A 9 20.588 -21.780 2.857 1.00 2.47 H new ATOM 0 HH22 ARG A 9 21.311 -21.224 4.370 1.00 2.47 H new ATOM 156 N ALA A 10 13.453 -19.192 3.806 1.00 0.49 N ATOM 157 CA ALA A 10 13.248 -20.127 4.942 1.00 0.49 C ATOM 158 C ALA A 10 11.976 -20.941 4.781 1.00 0.62 C ATOM 159 O ALA A 10 11.974 -22.139 4.982 1.00 0.54 O ATOM 160 CB ALA A 10 13.195 -19.338 6.252 1.00 0.70 C ATOM 0 H ALA A 10 13.043 -18.264 3.914 1.00 0.49 H new ATOM 0 HA ALA A 10 14.087 -20.823 4.959 1.00 0.49 H new ATOM 0 HB1 ALA A 10 13.045 -20.025 7.085 1.00 0.70 H new ATOM 0 HB2 ALA A 10 14.133 -18.800 6.391 1.00 0.70 H new ATOM 0 HB3 ALA A 10 12.370 -18.627 6.215 1.00 0.70 H new ATOM 166 N ARG A 11 10.901 -20.328 4.417 1.00 0.85 N ATOM 167 CA ARG A 11 9.660 -21.114 4.247 1.00 1.03 C ATOM 168 C ARG A 11 9.816 -21.965 2.997 1.00 1.02 C ATOM 169 O ARG A 11 9.264 -23.041 2.880 1.00 1.15 O ATOM 170 CB ARG A 11 8.474 -20.164 4.077 1.00 1.27 C ATOM 171 CG ARG A 11 7.411 -20.479 5.128 1.00 0.54 C ATOM 172 CD ARG A 11 7.773 -19.780 6.439 1.00 1.87 C ATOM 173 NE ARG A 11 7.007 -20.395 7.557 1.00 3.40 N ATOM 174 CZ ARG A 11 7.516 -20.416 8.757 1.00 4.52 C ATOM 175 NH1 ARG A 11 8.746 -20.808 8.936 1.00 4.66 N ATOM 176 NH2 ARG A 11 6.793 -20.046 9.777 1.00 6.02 N ATOM 0 H ARG A 11 10.823 -19.328 4.231 1.00 0.85 H new ATOM 0 HA ARG A 11 9.483 -21.745 5.118 1.00 1.03 H new ATOM 0 HB2 ARG A 11 8.805 -19.131 4.179 1.00 1.27 H new ATOM 0 HB3 ARG A 11 8.053 -20.267 3.077 1.00 1.27 H new ATOM 0 HG2 ARG A 11 6.432 -20.146 4.783 1.00 0.54 H new ATOM 0 HG3 ARG A 11 7.344 -21.556 5.283 1.00 0.54 H new ATOM 0 HD2 ARG A 11 8.843 -19.867 6.626 1.00 1.87 H new ATOM 0 HD3 ARG A 11 7.547 -18.716 6.371 1.00 1.87 H new ATOM 0 HE ARG A 11 6.086 -20.799 7.385 1.00 3.40 H new ATOM 0 HH11 ARG A 11 9.310 -21.098 8.137 1.00 4.66 H new ATOM 0 HH12 ARG A 11 9.145 -20.825 9.875 1.00 4.66 H new ATOM 0 HH21 ARG A 11 5.830 -19.741 9.636 1.00 6.02 H new ATOM 0 HH22 ARG A 11 7.190 -20.062 10.716 1.00 6.02 H new ATOM 190 N HIS A 12 10.565 -21.467 2.058 1.00 0.90 N ATOM 191 CA HIS A 12 10.770 -22.215 0.789 1.00 0.97 C ATOM 192 C HIS A 12 12.061 -23.032 0.815 1.00 0.87 C ATOM 193 O HIS A 12 12.152 -24.079 0.207 1.00 1.11 O ATOM 194 CB HIS A 12 10.840 -21.233 -0.378 1.00 0.94 C ATOM 195 CG HIS A 12 10.750 -22.002 -1.668 1.00 1.30 C ATOM 196 ND1 HIS A 12 10.388 -23.300 -1.937 1.00 2.38 N flip ATOM 197 CD2 HIS A 12 11.068 -21.437 -2.895 1.00 0.94 C flip ATOM 198 CE1 HIS A 12 10.482 -23.539 -3.305 1.00 2.54 C flip ATOM 199 NE2 HIS A 12 10.896 -22.385 -3.834 1.00 1.62 N flip ATOM 0 H HIS A 12 11.047 -20.570 2.114 1.00 0.90 H new ATOM 0 HA HIS A 12 9.929 -22.898 0.671 1.00 0.97 H new ATOM 0 HB2 HIS A 12 10.026 -20.511 -0.312 1.00 0.94 H new ATOM 0 HB3 HIS A 12 11.771 -20.668 -0.340 1.00 0.94 H new ATOM 0 HD2 HIS A 12 11.394 -20.422 -3.065 1.00 0.94 H new ATOM 0 HE1 HIS A 12 10.266 -24.460 -3.826 1.00 2.54 H new ATOM 0 HE2 HIS A 12 11.062 -22.240 -4.830 1.00 1.62 H new ATOM 207 N ASP A 13 13.094 -22.518 1.425 1.00 0.58 N ATOM 208 CA ASP A 13 14.393 -23.244 1.362 1.00 0.62 C ATOM 209 C ASP A 13 14.882 -23.824 2.696 1.00 0.51 C ATOM 210 O ASP A 13 15.525 -24.856 2.688 1.00 0.68 O ATOM 211 CB ASP A 13 15.459 -22.287 0.821 1.00 0.60 C ATOM 212 CG ASP A 13 15.915 -22.758 -0.564 1.00 0.91 C ATOM 213 OD1 ASP A 13 15.073 -23.210 -1.322 1.00 2.06 O ATOM 214 OD2 ASP A 13 17.099 -22.659 -0.840 1.00 1.40 O ATOM 0 H ASP A 13 13.097 -21.646 1.953 1.00 0.58 H new ATOM 0 HA ASP A 13 14.226 -24.102 0.710 1.00 0.62 H new ATOM 0 HB2 ASP A 13 15.057 -21.276 0.758 1.00 0.60 H new ATOM 0 HB3 ASP A 13 16.309 -22.250 1.502 1.00 0.60 H new ATOM 219 N TYR A 14 14.673 -23.213 3.839 1.00 0.28 N ATOM 220 CA TYR A 14 15.276 -23.877 5.044 1.00 0.22 C ATOM 221 C TYR A 14 14.553 -23.579 6.381 1.00 0.22 C ATOM 222 O TYR A 14 13.878 -22.581 6.545 1.00 0.24 O ATOM 223 CB TYR A 14 16.742 -23.431 5.149 1.00 0.17 C ATOM 224 CG TYR A 14 17.437 -24.319 6.138 1.00 0.14 C ATOM 225 CD1 TYR A 14 17.392 -23.973 7.477 1.00 0.13 C ATOM 226 CD2 TYR A 14 18.080 -25.503 5.734 1.00 0.19 C ATOM 227 CE1 TYR A 14 17.972 -24.812 8.431 1.00 0.11 C ATOM 228 CE2 TYR A 14 18.671 -26.333 6.691 1.00 0.19 C ATOM 229 CZ TYR A 14 18.605 -25.990 8.043 1.00 0.11 C ATOM 230 OH TYR A 14 19.151 -26.826 8.995 1.00 0.11 O ATOM 0 H TYR A 14 14.152 -22.349 3.990 1.00 0.28 H new ATOM 0 HA TYR A 14 15.176 -24.952 4.894 1.00 0.22 H new ATOM 0 HB2 TYR A 14 17.228 -23.494 4.176 1.00 0.17 H new ATOM 0 HB3 TYR A 14 16.800 -22.390 5.468 1.00 0.17 H new ATOM 0 HD1 TYR A 14 16.910 -23.057 7.784 1.00 0.13 H new ATOM 0 HD2 TYR A 14 18.117 -25.770 4.688 1.00 0.19 H new ATOM 0 HE1 TYR A 14 17.929 -24.545 9.477 1.00 0.11 H new ATOM 0 HE2 TYR A 14 19.177 -27.237 6.386 1.00 0.19 H new ATOM 0 HH TYR A 14 20.118 -26.897 8.852 1.00 0.11 H new ATOM 240 N GLU A 15 14.749 -24.469 7.348 1.00 0.20 N ATOM 241 CA GLU A 15 14.156 -24.322 8.730 1.00 0.22 C ATOM 242 C GLU A 15 15.093 -23.429 9.541 1.00 0.19 C ATOM 243 O GLU A 15 16.249 -23.671 9.619 1.00 0.24 O ATOM 244 CB GLU A 15 14.115 -25.696 9.389 1.00 0.26 C ATOM 245 CG GLU A 15 13.890 -25.532 10.889 1.00 0.30 C ATOM 246 CD GLU A 15 13.625 -26.901 11.514 1.00 0.39 C ATOM 247 OE1 GLU A 15 12.488 -27.342 11.466 1.00 1.01 O ATOM 248 OE2 GLU A 15 14.564 -27.488 12.028 1.00 0.48 O ATOM 0 H GLU A 15 15.311 -25.312 7.228 1.00 0.20 H new ATOM 0 HA GLU A 15 13.153 -23.898 8.680 1.00 0.22 H new ATOM 0 HB2 GLU A 15 13.316 -26.297 8.954 1.00 0.26 H new ATOM 0 HB3 GLU A 15 15.049 -26.227 9.206 1.00 0.26 H new ATOM 0 HG2 GLU A 15 14.763 -25.072 11.351 1.00 0.30 H new ATOM 0 HG3 GLU A 15 13.046 -24.867 11.071 1.00 0.30 H new ATOM 255 N ILE A 16 14.663 -22.374 10.108 1.00 0.23 N ATOM 256 CA ILE A 16 15.681 -21.520 10.772 1.00 0.19 C ATOM 257 C ILE A 16 16.114 -21.934 12.188 1.00 0.27 C ATOM 258 O ILE A 16 15.343 -22.063 13.117 1.00 0.36 O ATOM 259 CB ILE A 16 15.202 -20.094 10.681 1.00 0.14 C ATOM 260 CG1 ILE A 16 15.425 -19.674 9.221 1.00 0.11 C ATOM 261 CG2 ILE A 16 15.990 -19.195 11.632 1.00 0.18 C ATOM 262 CD1 ILE A 16 16.894 -19.863 8.839 1.00 0.13 C ATOM 0 H ILE A 16 13.694 -22.057 10.152 1.00 0.23 H new ATOM 0 HA ILE A 16 16.620 -21.653 10.234 1.00 0.19 H new ATOM 0 HB ILE A 16 14.154 -20.004 10.968 1.00 0.14 H new ATOM 0 HG12 ILE A 16 14.791 -20.267 8.563 1.00 0.11 H new ATOM 0 HG13 ILE A 16 15.137 -18.631 9.086 1.00 0.11 H new ATOM 0 HG21 ILE A 16 15.627 -18.171 11.549 1.00 0.18 H new ATOM 0 HG22 ILE A 16 15.859 -19.545 12.656 1.00 0.18 H new ATOM 0 HG23 ILE A 16 17.048 -19.227 11.371 1.00 0.18 H new ATOM 0 HD11 ILE A 16 17.042 -19.562 7.802 1.00 0.13 H new ATOM 0 HD12 ILE A 16 17.520 -19.250 9.487 1.00 0.13 H new ATOM 0 HD13 ILE A 16 17.168 -20.911 8.955 1.00 0.13 H new ATOM 274 N LEU A 17 17.411 -22.144 12.280 1.00 0.26 N ATOM 275 CA LEU A 17 18.122 -22.564 13.522 1.00 0.37 C ATOM 276 C LEU A 17 18.286 -21.393 14.539 1.00 0.37 C ATOM 277 O LEU A 17 17.830 -21.493 15.660 1.00 0.47 O ATOM 278 CB LEU A 17 19.481 -23.094 13.033 1.00 0.62 C ATOM 279 CG LEU A 17 20.576 -22.969 14.082 1.00 0.88 C ATOM 280 CD1 LEU A 17 20.368 -24.031 15.166 1.00 2.36 C ATOM 281 CD2 LEU A 17 21.937 -23.189 13.393 1.00 2.51 C ATOM 0 H LEU A 17 18.038 -22.030 11.484 1.00 0.26 H new ATOM 0 HA LEU A 17 17.560 -23.320 14.070 1.00 0.37 H new ATOM 0 HB2 LEU A 17 19.376 -24.141 12.747 1.00 0.62 H new ATOM 0 HB3 LEU A 17 19.778 -22.548 12.138 1.00 0.62 H new ATOM 0 HG LEU A 17 20.546 -21.982 14.543 1.00 0.88 H new ATOM 0 HD11 LEU A 17 21.152 -23.942 15.918 1.00 2.36 H new ATOM 0 HD12 LEU A 17 19.396 -23.885 15.637 1.00 2.36 H new ATOM 0 HD13 LEU A 17 20.408 -25.023 14.716 1.00 2.36 H new ATOM 0 HD21 LEU A 17 22.736 -23.103 14.130 1.00 2.51 H new ATOM 0 HD22 LEU A 17 21.962 -24.182 12.945 1.00 2.51 H new ATOM 0 HD23 LEU A 17 22.077 -22.437 12.616 1.00 2.51 H new ATOM 293 N GLU A 18 18.921 -20.289 14.176 1.00 0.33 N ATOM 294 CA GLU A 18 19.076 -19.148 15.163 1.00 0.36 C ATOM 295 C GLU A 18 18.225 -17.947 14.682 1.00 0.52 C ATOM 296 O GLU A 18 17.952 -17.819 13.515 1.00 0.88 O ATOM 297 CB GLU A 18 20.566 -18.765 15.320 1.00 0.29 C ATOM 298 CG GLU A 18 20.760 -18.099 16.681 1.00 0.28 C ATOM 299 CD GLU A 18 20.507 -19.113 17.799 1.00 0.23 C ATOM 300 OE1 GLU A 18 20.205 -20.252 17.488 1.00 0.23 O ATOM 301 OE2 GLU A 18 20.621 -18.730 18.953 1.00 0.46 O ATOM 0 H GLU A 18 19.332 -20.128 13.257 1.00 0.33 H new ATOM 0 HA GLU A 18 18.720 -19.458 16.146 1.00 0.36 H new ATOM 0 HB2 GLU A 18 21.194 -19.652 15.240 1.00 0.29 H new ATOM 0 HB3 GLU A 18 20.868 -18.088 14.521 1.00 0.29 H new ATOM 0 HG2 GLU A 18 21.772 -17.702 16.760 1.00 0.28 H new ATOM 0 HG3 GLU A 18 20.078 -17.255 16.783 1.00 0.28 H new ATOM 308 N THR A 19 17.738 -17.094 15.567 1.00 0.45 N ATOM 309 CA THR A 19 16.853 -15.963 15.093 1.00 0.66 C ATOM 310 C THR A 19 17.174 -14.613 15.763 1.00 0.45 C ATOM 311 O THR A 19 17.607 -14.563 16.897 1.00 0.29 O ATOM 312 CB THR A 19 15.394 -16.325 15.393 1.00 0.99 C ATOM 313 OG1 THR A 19 15.160 -16.223 16.790 1.00 1.05 O ATOM 314 CG2 THR A 19 15.111 -17.756 14.932 1.00 1.11 C ATOM 0 H THR A 19 17.909 -17.128 16.572 1.00 0.45 H new ATOM 0 HA THR A 19 17.032 -15.841 14.025 1.00 0.66 H new ATOM 0 HB THR A 19 14.735 -15.639 14.861 1.00 0.99 H new ATOM 0 HG1 THR A 19 14.227 -16.453 16.983 1.00 1.05 H new ATOM 0 HG21 THR A 19 14.073 -18.009 15.147 1.00 1.11 H new ATOM 0 HG22 THR A 19 15.289 -17.835 13.859 1.00 1.11 H new ATOM 0 HG23 THR A 19 15.769 -18.445 15.460 1.00 1.11 H new ATOM 322 N TYR A 20 16.873 -13.508 15.098 1.00 0.49 N ATOM 323 CA TYR A 20 17.071 -12.167 15.741 1.00 0.37 C ATOM 324 C TYR A 20 15.959 -11.215 15.366 1.00 0.38 C ATOM 325 O TYR A 20 15.261 -11.380 14.387 1.00 0.52 O ATOM 326 CB TYR A 20 18.467 -11.562 15.504 1.00 0.45 C ATOM 327 CG TYR A 20 18.762 -11.028 14.111 1.00 0.39 C ATOM 328 CD1 TYR A 20 17.806 -10.397 13.290 1.00 0.50 C ATOM 329 CD2 TYR A 20 20.078 -11.158 13.661 1.00 0.22 C ATOM 330 CE1 TYR A 20 18.191 -9.906 12.030 1.00 0.41 C ATOM 331 CE2 TYR A 20 20.461 -10.680 12.411 1.00 0.21 C ATOM 332 CZ TYR A 20 19.519 -10.052 11.589 1.00 0.27 C ATOM 333 OH TYR A 20 19.897 -9.566 10.355 1.00 0.27 O ATOM 0 H TYR A 20 16.503 -13.483 14.148 1.00 0.49 H new ATOM 0 HA TYR A 20 17.021 -12.334 16.817 1.00 0.37 H new ATOM 0 HB2 TYR A 20 18.609 -10.748 16.215 1.00 0.45 H new ATOM 0 HB3 TYR A 20 19.210 -12.324 15.739 1.00 0.45 H new ATOM 0 HD1 TYR A 20 16.785 -10.291 13.626 1.00 0.50 H new ATOM 0 HD2 TYR A 20 20.811 -11.637 14.293 1.00 0.22 H new ATOM 0 HE1 TYR A 20 17.465 -9.415 11.399 1.00 0.41 H new ATOM 0 HE2 TYR A 20 21.482 -10.794 12.077 1.00 0.21 H new ATOM 0 HH TYR A 20 19.126 -9.148 9.918 1.00 0.27 H new ATOM 343 N GLU A 21 15.768 -10.244 16.195 1.00 0.27 N ATOM 344 CA GLU A 21 14.686 -9.263 15.988 1.00 0.27 C ATOM 345 C GLU A 21 15.293 -7.862 15.904 1.00 0.28 C ATOM 346 O GLU A 21 15.846 -7.355 16.859 1.00 0.30 O ATOM 347 CB GLU A 21 13.763 -9.380 17.192 1.00 0.28 C ATOM 348 CG GLU A 21 12.336 -9.679 16.726 1.00 0.41 C ATOM 349 CD GLU A 21 11.442 -9.907 17.946 1.00 0.15 C ATOM 350 OE1 GLU A 21 11.864 -10.621 18.841 1.00 1.24 O ATOM 351 OE2 GLU A 21 10.351 -9.361 17.967 1.00 1.19 O ATOM 0 H GLU A 21 16.332 -10.085 17.030 1.00 0.27 H new ATOM 0 HA GLU A 21 14.135 -9.446 15.066 1.00 0.27 H new ATOM 0 HB2 GLU A 21 14.113 -10.172 17.854 1.00 0.28 H new ATOM 0 HB3 GLU A 21 13.781 -8.454 17.767 1.00 0.28 H new ATOM 0 HG2 GLU A 21 11.954 -8.849 16.131 1.00 0.41 H new ATOM 0 HG3 GLU A 21 12.328 -10.561 16.085 1.00 0.41 H new ATOM 358 N ALA A 22 15.214 -7.243 14.758 1.00 0.30 N ATOM 359 CA ALA A 22 15.808 -5.888 14.597 1.00 0.30 C ATOM 360 C ALA A 22 14.705 -4.848 14.404 1.00 0.31 C ATOM 361 O ALA A 22 13.561 -5.167 14.148 1.00 0.33 O ATOM 362 CB ALA A 22 16.726 -5.877 13.375 1.00 0.34 C ATOM 0 H ALA A 22 14.762 -7.619 13.925 1.00 0.30 H new ATOM 0 HA ALA A 22 16.378 -5.644 15.493 1.00 0.30 H new ATOM 0 HB1 ALA A 22 17.162 -4.885 13.256 1.00 0.34 H new ATOM 0 HB2 ALA A 22 17.522 -6.609 13.511 1.00 0.34 H new ATOM 0 HB3 ALA A 22 16.150 -6.129 12.485 1.00 0.34 H new ATOM 368 N GLY A 23 15.060 -3.601 14.510 1.00 0.30 N ATOM 369 CA GLY A 23 14.075 -2.505 14.316 1.00 0.30 C ATOM 370 C GLY A 23 14.620 -1.608 13.212 1.00 0.31 C ATOM 371 O GLY A 23 15.537 -0.837 13.426 1.00 0.29 O ATOM 0 H GLY A 23 16.007 -3.290 14.726 1.00 0.30 H new ATOM 0 HA2 GLY A 23 13.100 -2.907 14.040 1.00 0.30 H new ATOM 0 HA3 GLY A 23 13.938 -1.941 15.239 1.00 0.30 H new ATOM 375 N ILE A 24 14.112 -1.737 12.021 1.00 0.34 N ATOM 376 CA ILE A 24 14.665 -0.921 10.899 1.00 0.35 C ATOM 377 C ILE A 24 13.788 0.311 10.684 1.00 0.33 C ATOM 378 O ILE A 24 12.630 0.218 10.348 1.00 0.36 O ATOM 379 CB ILE A 24 14.696 -1.770 9.625 1.00 0.40 C ATOM 380 CG1 ILE A 24 15.765 -2.855 9.733 1.00 0.40 C ATOM 381 CG2 ILE A 24 15.046 -0.878 8.442 1.00 0.42 C ATOM 382 CD1 ILE A 24 16.049 -3.140 11.198 1.00 0.33 C ATOM 0 H ILE A 24 13.346 -2.364 11.773 1.00 0.34 H new ATOM 0 HA ILE A 24 15.678 -0.599 11.142 1.00 0.35 H new ATOM 0 HB ILE A 24 13.718 -2.232 9.490 1.00 0.40 H new ATOM 0 HG12 ILE A 24 15.429 -3.763 9.233 1.00 0.40 H new ATOM 0 HG13 ILE A 24 16.677 -2.534 9.230 1.00 0.40 H new ATOM 0 HG21 ILE A 24 15.070 -1.475 7.531 1.00 0.42 H new ATOM 0 HG22 ILE A 24 14.295 -0.094 8.343 1.00 0.42 H new ATOM 0 HG23 ILE A 24 16.024 -0.425 8.605 1.00 0.42 H new ATOM 0 HD11 ILE A 24 16.812 -3.914 11.277 1.00 0.33 H new ATOM 0 HD12 ILE A 24 16.403 -2.231 11.684 1.00 0.33 H new ATOM 0 HD13 ILE A 24 15.136 -3.480 11.686 1.00 0.33 H new ATOM 394 N ALA A 25 14.336 1.474 10.887 1.00 0.28 N ATOM 395 CA ALA A 25 13.506 2.712 10.696 1.00 0.24 C ATOM 396 C ALA A 25 13.616 3.233 9.270 1.00 0.19 C ATOM 397 O ALA A 25 14.489 2.867 8.508 1.00 0.20 O ATOM 398 CB ALA A 25 13.892 3.813 11.653 1.00 0.27 C ATOM 0 H ALA A 25 15.303 1.629 11.172 1.00 0.28 H new ATOM 0 HA ALA A 25 12.476 2.422 10.901 1.00 0.24 H new ATOM 0 HB1 ALA A 25 13.264 4.686 11.476 1.00 0.27 H new ATOM 0 HB2 ALA A 25 13.754 3.469 12.678 1.00 0.27 H new ATOM 0 HB3 ALA A 25 14.937 4.080 11.498 1.00 0.27 H new ATOM 404 N LEU A 26 12.672 4.048 8.907 1.00 0.14 N ATOM 405 CA LEU A 26 12.596 4.587 7.535 1.00 0.10 C ATOM 406 C LEU A 26 12.651 6.116 7.520 1.00 0.13 C ATOM 407 O LEU A 26 12.208 6.778 8.437 1.00 0.12 O ATOM 408 CB LEU A 26 11.272 4.117 6.913 1.00 0.09 C ATOM 409 CG LEU A 26 10.269 3.733 8.024 1.00 0.08 C ATOM 410 CD1 LEU A 26 8.948 3.348 7.381 1.00 0.08 C ATOM 411 CD2 LEU A 26 10.773 2.537 8.861 1.00 0.10 C ATOM 0 H LEU A 26 11.929 4.370 9.527 1.00 0.14 H new ATOM 0 HA LEU A 26 13.452 4.224 6.966 1.00 0.10 H new ATOM 0 HB2 LEU A 26 10.852 4.908 6.291 1.00 0.09 H new ATOM 0 HB3 LEU A 26 11.451 3.261 6.262 1.00 0.09 H new ATOM 0 HG LEU A 26 10.153 4.592 8.685 1.00 0.08 H new ATOM 0 HD11 LEU A 26 8.232 3.075 8.156 1.00 0.08 H new ATOM 0 HD12 LEU A 26 8.561 4.193 6.811 1.00 0.08 H new ATOM 0 HD13 LEU A 26 9.102 2.500 6.714 1.00 0.08 H new ATOM 0 HD21 LEU A 26 10.040 2.298 9.631 1.00 0.10 H new ATOM 0 HD22 LEU A 26 10.913 1.672 8.212 1.00 0.10 H new ATOM 0 HD23 LEU A 26 11.722 2.796 9.331 1.00 0.10 H new ATOM 423 N LYS A 27 13.116 6.673 6.439 1.00 0.17 N ATOM 424 CA LYS A 27 13.122 8.145 6.290 1.00 0.22 C ATOM 425 C LYS A 27 11.704 8.531 5.854 1.00 0.23 C ATOM 426 O LYS A 27 10.816 7.702 5.842 1.00 0.21 O ATOM 427 CB LYS A 27 14.130 8.568 5.216 1.00 0.32 C ATOM 428 CG LYS A 27 15.321 7.607 5.224 1.00 2.39 C ATOM 429 CD LYS A 27 16.616 8.391 5.009 1.00 2.26 C ATOM 430 CE LYS A 27 17.757 7.414 4.727 1.00 3.76 C ATOM 431 NZ LYS A 27 18.016 6.594 5.945 1.00 3.57 N ATOM 0 H LYS A 27 13.497 6.160 5.644 1.00 0.17 H new ATOM 0 HA LYS A 27 13.407 8.636 7.220 1.00 0.22 H new ATOM 0 HB2 LYS A 27 13.654 8.566 4.235 1.00 0.32 H new ATOM 0 HB3 LYS A 27 14.470 9.587 5.403 1.00 0.32 H new ATOM 0 HG2 LYS A 27 15.362 7.071 6.172 1.00 2.39 H new ATOM 0 HG3 LYS A 27 15.203 6.859 4.440 1.00 2.39 H new ATOM 0 HD2 LYS A 27 16.501 9.084 4.176 1.00 2.26 H new ATOM 0 HD3 LYS A 27 16.844 8.989 5.892 1.00 2.26 H new ATOM 0 HE2 LYS A 27 17.499 6.768 3.888 1.00 3.76 H new ATOM 0 HE3 LYS A 27 18.657 7.960 4.444 1.00 3.76 H new ATOM 0 HZ1 LYS A 27 18.894 6.051 5.818 1.00 3.57 H new ATOM 0 HZ2 LYS A 27 18.112 7.219 6.770 1.00 3.57 H new ATOM 0 HZ3 LYS A 27 17.223 5.939 6.098 1.00 3.57 H new ATOM 445 N GLY A 28 11.458 9.765 5.539 1.00 0.32 N ATOM 446 CA GLY A 28 10.069 10.157 5.159 1.00 0.40 C ATOM 447 C GLY A 28 9.591 9.463 3.884 1.00 0.42 C ATOM 448 O GLY A 28 8.475 8.989 3.814 1.00 0.44 O ATOM 0 H GLY A 28 12.147 10.517 5.526 1.00 0.32 H new ATOM 0 HA2 GLY A 28 9.390 9.914 5.977 1.00 0.40 H new ATOM 0 HA3 GLY A 28 10.026 11.237 5.019 1.00 0.40 H new ATOM 452 N THR A 29 10.404 9.396 2.879 1.00 0.44 N ATOM 453 CA THR A 29 9.966 8.733 1.628 1.00 0.45 C ATOM 454 C THR A 29 10.266 7.257 1.720 1.00 0.33 C ATOM 455 O THR A 29 9.822 6.471 0.905 1.00 0.29 O ATOM 456 CB THR A 29 10.687 9.297 0.414 1.00 0.58 C ATOM 457 OG1 THR A 29 12.088 9.117 0.568 1.00 0.61 O ATOM 458 CG2 THR A 29 10.369 10.786 0.256 1.00 0.75 C ATOM 0 H THR A 29 11.353 9.771 2.867 1.00 0.44 H new ATOM 0 HA THR A 29 8.897 8.909 1.510 1.00 0.45 H new ATOM 0 HB THR A 29 10.349 8.770 -0.478 1.00 0.58 H new ATOM 0 HG1 THR A 29 12.533 9.990 0.554 1.00 0.61 H new ATOM 0 HG21 THR A 29 10.891 11.179 -0.617 1.00 0.75 H new ATOM 0 HG22 THR A 29 9.295 10.917 0.126 1.00 0.75 H new ATOM 0 HG23 THR A 29 10.695 11.324 1.146 1.00 0.75 H new ATOM 466 N GLU A 30 11.007 6.856 2.706 1.00 0.27 N ATOM 467 CA GLU A 30 11.305 5.417 2.813 1.00 0.22 C ATOM 468 C GLU A 30 9.992 4.716 2.859 1.00 0.16 C ATOM 469 O GLU A 30 9.870 3.617 2.432 1.00 0.19 O ATOM 470 CB GLU A 30 12.110 5.111 4.062 1.00 0.26 C ATOM 471 CG GLU A 30 13.591 5.043 3.680 1.00 0.53 C ATOM 472 CD GLU A 30 13.864 3.749 2.910 1.00 1.23 C ATOM 473 OE1 GLU A 30 13.024 3.365 2.113 1.00 2.47 O ATOM 474 OE2 GLU A 30 14.909 3.160 3.135 1.00 2.07 O ATOM 0 H GLU A 30 11.411 7.452 3.428 1.00 0.27 H new ATOM 0 HA GLU A 30 11.905 5.087 1.965 1.00 0.22 H new ATOM 0 HB2 GLU A 30 11.948 5.882 4.815 1.00 0.26 H new ATOM 0 HB3 GLU A 30 11.787 4.166 4.499 1.00 0.26 H new ATOM 0 HG2 GLU A 30 13.859 5.905 3.069 1.00 0.53 H new ATOM 0 HG3 GLU A 30 14.210 5.082 4.576 1.00 0.53 H new ATOM 481 N VAL A 31 8.998 5.320 3.387 1.00 0.20 N ATOM 482 CA VAL A 31 7.721 4.588 3.431 1.00 0.29 C ATOM 483 C VAL A 31 7.084 4.441 2.048 1.00 0.37 C ATOM 484 O VAL A 31 6.464 3.441 1.790 1.00 0.43 O ATOM 485 CB VAL A 31 6.775 5.216 4.424 1.00 0.37 C ATOM 486 CG1 VAL A 31 5.334 5.036 3.947 1.00 0.55 C ATOM 487 CG2 VAL A 31 6.998 4.480 5.738 1.00 0.28 C ATOM 0 H VAL A 31 9.001 6.260 3.782 1.00 0.20 H new ATOM 0 HA VAL A 31 7.939 3.576 3.772 1.00 0.29 H new ATOM 0 HB VAL A 31 6.953 6.285 4.537 1.00 0.37 H new ATOM 0 HG11 VAL A 31 4.653 5.491 4.667 1.00 0.55 H new ATOM 0 HG12 VAL A 31 5.209 5.516 2.976 1.00 0.55 H new ATOM 0 HG13 VAL A 31 5.110 3.973 3.858 1.00 0.55 H new ATOM 0 HG21 VAL A 31 6.338 4.891 6.502 1.00 0.28 H new ATOM 0 HG22 VAL A 31 6.781 3.420 5.603 1.00 0.28 H new ATOM 0 HG23 VAL A 31 8.035 4.601 6.051 1.00 0.28 H new ATOM 497 N LYS A 32 7.204 5.363 1.127 1.00 0.39 N ATOM 498 CA LYS A 32 6.557 5.057 -0.184 1.00 0.44 C ATOM 499 C LYS A 32 7.339 3.942 -0.858 1.00 0.38 C ATOM 500 O LYS A 32 6.791 2.986 -1.329 1.00 0.44 O ATOM 501 CB LYS A 32 6.559 6.246 -1.130 1.00 0.48 C ATOM 502 CG LYS A 32 5.489 7.251 -0.706 1.00 0.49 C ATOM 503 CD LYS A 32 6.072 8.665 -0.728 1.00 0.51 C ATOM 504 CE LYS A 32 6.303 9.142 0.707 1.00 0.59 C ATOM 505 NZ LYS A 32 5.323 10.219 1.033 1.00 1.01 N ATOM 0 H LYS A 32 7.688 6.257 1.212 1.00 0.39 H new ATOM 0 HA LYS A 32 5.523 4.781 0.021 1.00 0.44 H new ATOM 0 HB2 LYS A 32 7.539 6.723 -1.127 1.00 0.48 H new ATOM 0 HB3 LYS A 32 6.371 5.910 -2.150 1.00 0.48 H new ATOM 0 HG2 LYS A 32 4.633 7.190 -1.377 1.00 0.49 H new ATOM 0 HG3 LYS A 32 5.128 7.012 0.294 1.00 0.49 H new ATOM 0 HD2 LYS A 32 7.011 8.674 -1.282 1.00 0.51 H new ATOM 0 HD3 LYS A 32 5.391 9.343 -1.243 1.00 0.51 H new ATOM 0 HE2 LYS A 32 6.190 8.310 1.402 1.00 0.59 H new ATOM 0 HE3 LYS A 32 7.321 9.515 0.819 1.00 0.59 H new ATOM 0 HZ1 LYS A 32 5.478 10.545 2.008 1.00 1.01 H new ATOM 0 HZ2 LYS A 32 5.452 11.016 0.377 1.00 1.01 H new ATOM 0 HZ3 LYS A 32 4.356 9.848 0.941 1.00 1.01 H new ATOM 519 N SER A 33 8.627 4.091 -0.905 1.00 0.30 N ATOM 520 CA SER A 33 9.513 3.086 -1.550 1.00 0.27 C ATOM 521 C SER A 33 9.563 1.812 -0.724 1.00 0.29 C ATOM 522 O SER A 33 9.684 0.735 -1.246 1.00 0.33 O ATOM 523 CB SER A 33 10.922 3.663 -1.677 1.00 0.21 C ATOM 524 OG SER A 33 11.421 3.397 -2.981 1.00 1.42 O ATOM 0 H SER A 33 9.120 4.892 -0.511 1.00 0.30 H new ATOM 0 HA SER A 33 9.116 2.849 -2.537 1.00 0.27 H new ATOM 0 HB2 SER A 33 10.906 4.737 -1.493 1.00 0.21 H new ATOM 0 HB3 SER A 33 11.578 3.221 -0.927 1.00 0.21 H new ATOM 0 HG SER A 33 11.622 4.243 -3.433 1.00 1.42 H new ATOM 530 N LEU A 34 9.505 1.934 0.564 1.00 0.30 N ATOM 531 CA LEU A 34 9.571 0.725 1.429 1.00 0.40 C ATOM 532 C LEU A 34 8.238 -0.011 1.333 1.00 0.51 C ATOM 533 O LEU A 34 8.194 -1.184 1.025 1.00 0.59 O ATOM 534 CB LEU A 34 9.928 1.102 2.881 1.00 0.40 C ATOM 535 CG LEU A 34 10.803 -0.016 3.437 1.00 0.66 C ATOM 536 CD1 LEU A 34 10.038 -1.335 3.385 1.00 1.29 C ATOM 537 CD2 LEU A 34 12.069 -0.132 2.584 1.00 1.24 C ATOM 0 H LEU A 34 9.414 2.820 1.062 1.00 0.30 H new ATOM 0 HA LEU A 34 10.364 0.061 1.085 1.00 0.40 H new ATOM 0 HB2 LEU A 34 10.456 2.055 2.912 1.00 0.40 H new ATOM 0 HB3 LEU A 34 9.025 1.218 3.481 1.00 0.40 H new ATOM 0 HG LEU A 34 11.071 0.208 4.470 1.00 0.66 H new ATOM 0 HD11 LEU A 34 10.663 -2.134 3.782 1.00 1.29 H new ATOM 0 HD12 LEU A 34 9.130 -1.253 3.983 1.00 1.29 H new ATOM 0 HD13 LEU A 34 9.773 -1.561 2.352 1.00 1.29 H new ATOM 0 HD21 LEU A 34 12.700 -0.930 2.976 1.00 1.24 H new ATOM 0 HD22 LEU A 34 11.794 -0.359 1.554 1.00 1.24 H new ATOM 0 HD23 LEU A 34 12.616 0.811 2.614 1.00 1.24 H new ATOM 549 N ARG A 35 7.151 0.676 1.527 1.00 0.55 N ATOM 550 CA ARG A 35 5.828 0.021 1.360 1.00 0.71 C ATOM 551 C ARG A 35 5.708 -0.335 -0.120 1.00 0.63 C ATOM 552 O ARG A 35 5.007 -1.248 -0.511 1.00 0.75 O ATOM 553 CB ARG A 35 4.706 0.997 1.725 1.00 0.89 C ATOM 554 CG ARG A 35 4.317 0.823 3.192 1.00 1.16 C ATOM 555 CD ARG A 35 2.980 1.522 3.439 1.00 0.89 C ATOM 556 NE ARG A 35 1.875 0.534 3.298 1.00 0.72 N ATOM 557 CZ ARG A 35 1.068 0.320 4.297 1.00 1.35 C ATOM 558 NH1 ARG A 35 1.551 -0.006 5.464 1.00 2.34 N ATOM 559 NH2 ARG A 35 -0.221 0.440 4.133 1.00 2.20 N ATOM 0 H ARG A 35 7.121 1.660 1.793 1.00 0.55 H new ATOM 0 HA ARG A 35 5.746 -0.856 2.002 1.00 0.71 H new ATOM 0 HB2 ARG A 35 5.032 2.022 1.546 1.00 0.89 H new ATOM 0 HB3 ARG A 35 3.839 0.822 1.087 1.00 0.89 H new ATOM 0 HG2 ARG A 35 4.239 -0.236 3.438 1.00 1.16 H new ATOM 0 HG3 ARG A 35 5.087 1.244 3.838 1.00 1.16 H new ATOM 0 HD2 ARG A 35 2.965 1.962 4.436 1.00 0.89 H new ATOM 0 HD3 ARG A 35 2.846 2.338 2.729 1.00 0.89 H new ATOM 0 HE ARG A 35 1.751 0.027 2.422 1.00 0.72 H new ATOM 0 HH11 ARG A 35 2.559 -0.093 5.593 1.00 2.34 H new ATOM 0 HH12 ARG A 35 0.921 -0.174 6.248 1.00 2.34 H new ATOM 0 HH21 ARG A 35 -0.597 0.702 3.222 1.00 2.20 H new ATOM 0 HH22 ARG A 35 -0.853 0.272 4.916 1.00 2.20 H new ATOM 573 N ALA A 36 6.416 0.401 -0.941 1.00 0.50 N ATOM 574 CA ALA A 36 6.403 0.158 -2.415 1.00 0.60 C ATOM 575 C ALA A 36 7.761 -0.430 -2.800 1.00 0.44 C ATOM 576 O ALA A 36 8.260 -0.200 -3.884 1.00 0.66 O ATOM 577 CB ALA A 36 6.188 1.491 -3.164 1.00 0.76 C ATOM 0 H ALA A 36 7.013 1.174 -0.645 1.00 0.50 H new ATOM 0 HA ALA A 36 5.596 -0.525 -2.681 1.00 0.60 H new ATOM 0 HB1 ALA A 36 6.179 1.307 -4.238 1.00 0.76 H new ATOM 0 HB2 ALA A 36 5.236 1.928 -2.863 1.00 0.76 H new ATOM 0 HB3 ALA A 36 6.997 2.180 -2.920 1.00 0.76 H new ATOM 583 N GLY A 37 8.410 -1.110 -1.886 1.00 0.20 N ATOM 584 CA GLY A 37 9.781 -1.608 -2.186 1.00 0.20 C ATOM 585 C GLY A 37 9.849 -3.112 -2.361 1.00 0.20 C ATOM 586 O GLY A 37 9.239 -3.879 -1.642 1.00 0.18 O ATOM 0 H GLY A 37 8.052 -1.338 -0.958 1.00 0.20 H new ATOM 0 HA2 GLY A 37 10.144 -1.127 -3.094 1.00 0.20 H new ATOM 0 HA3 GLY A 37 10.452 -1.313 -1.379 1.00 0.20 H new ATOM 590 N LYS A 38 10.654 -3.524 -3.294 1.00 0.22 N ATOM 591 CA LYS A 38 10.870 -4.964 -3.527 1.00 0.24 C ATOM 592 C LYS A 38 12.359 -5.233 -3.308 1.00 0.29 C ATOM 593 O LYS A 38 13.198 -4.753 -4.045 1.00 0.29 O ATOM 594 CB LYS A 38 10.484 -5.319 -4.964 1.00 0.25 C ATOM 595 CG LYS A 38 9.888 -6.727 -5.000 1.00 0.25 C ATOM 596 CD LYS A 38 8.508 -6.712 -4.340 1.00 1.46 C ATOM 597 CE LYS A 38 8.310 -7.999 -3.537 1.00 2.63 C ATOM 598 NZ LYS A 38 8.484 -7.709 -2.085 1.00 4.70 N ATOM 0 H LYS A 38 11.179 -2.907 -3.914 1.00 0.22 H new ATOM 0 HA LYS A 38 10.261 -5.566 -2.852 1.00 0.24 H new ATOM 0 HB2 LYS A 38 9.762 -4.597 -5.347 1.00 0.25 H new ATOM 0 HB3 LYS A 38 11.360 -5.267 -5.610 1.00 0.25 H new ATOM 0 HG2 LYS A 38 9.807 -7.073 -6.030 1.00 0.25 H new ATOM 0 HG3 LYS A 38 10.544 -7.425 -4.480 1.00 0.25 H new ATOM 0 HD2 LYS A 38 8.416 -5.845 -3.686 1.00 1.46 H new ATOM 0 HD3 LYS A 38 7.731 -6.622 -5.099 1.00 1.46 H new ATOM 0 HE2 LYS A 38 7.316 -8.406 -3.721 1.00 2.63 H new ATOM 0 HE3 LYS A 38 9.028 -8.754 -3.857 1.00 2.63 H new ATOM 0 HZ1 LYS A 38 8.350 -8.583 -1.538 1.00 4.70 H new ATOM 0 HZ2 LYS A 38 9.441 -7.339 -1.917 1.00 4.70 H new ATOM 0 HZ3 LYS A 38 7.782 -7.002 -1.786 1.00 4.70 H new ATOM 612 N VAL A 39 12.695 -5.992 -2.312 1.00 0.34 N ATOM 613 CA VAL A 39 14.130 -6.290 -2.055 1.00 0.38 C ATOM 614 C VAL A 39 14.323 -7.785 -2.241 1.00 0.40 C ATOM 615 O VAL A 39 13.376 -8.544 -2.178 1.00 0.38 O ATOM 616 CB VAL A 39 14.502 -5.886 -0.617 1.00 0.50 C ATOM 617 CG1 VAL A 39 15.997 -6.132 -0.367 1.00 2.71 C ATOM 618 CG2 VAL A 39 14.203 -4.397 -0.412 1.00 2.66 C ATOM 0 H VAL A 39 12.039 -6.422 -1.660 1.00 0.34 H new ATOM 0 HA VAL A 39 14.768 -5.731 -2.740 1.00 0.38 H new ATOM 0 HB VAL A 39 13.916 -6.486 0.079 1.00 0.50 H new ATOM 0 HG11 VAL A 39 16.248 -5.842 0.653 1.00 2.71 H new ATOM 0 HG12 VAL A 39 16.221 -7.189 -0.509 1.00 2.71 H new ATOM 0 HG13 VAL A 39 16.585 -5.539 -1.067 1.00 2.71 H new ATOM 0 HG21 VAL A 39 14.466 -4.110 0.606 1.00 2.66 H new ATOM 0 HG22 VAL A 39 14.788 -3.808 -1.118 1.00 2.66 H new ATOM 0 HG23 VAL A 39 13.142 -4.213 -0.578 1.00 2.66 H new ATOM 628 N ASP A 40 15.517 -8.234 -2.472 1.00 0.43 N ATOM 629 CA ASP A 40 15.695 -9.690 -2.654 1.00 0.43 C ATOM 630 C ASP A 40 15.847 -10.323 -1.276 1.00 0.38 C ATOM 631 O ASP A 40 16.864 -10.180 -0.626 1.00 0.45 O ATOM 632 CB ASP A 40 16.953 -9.949 -3.486 1.00 0.49 C ATOM 633 CG ASP A 40 16.666 -11.034 -4.525 1.00 0.50 C ATOM 634 OD1 ASP A 40 15.895 -11.929 -4.222 1.00 1.03 O ATOM 635 OD2 ASP A 40 17.226 -10.952 -5.606 1.00 1.03 O ATOM 0 H ASP A 40 16.363 -7.668 -2.542 1.00 0.43 H new ATOM 0 HA ASP A 40 14.837 -10.119 -3.172 1.00 0.43 H new ATOM 0 HB2 ASP A 40 17.269 -9.031 -3.982 1.00 0.49 H new ATOM 0 HB3 ASP A 40 17.772 -10.260 -2.838 1.00 0.49 H new ATOM 640 N PHE A 41 14.850 -11.038 -0.829 1.00 0.27 N ATOM 641 CA PHE A 41 14.962 -11.688 0.497 1.00 0.24 C ATOM 642 C PHE A 41 15.347 -13.132 0.247 1.00 0.22 C ATOM 643 O PHE A 41 14.575 -13.905 -0.278 1.00 0.19 O ATOM 644 CB PHE A 41 13.630 -11.589 1.253 1.00 0.17 C ATOM 645 CG PHE A 41 13.586 -10.254 1.964 1.00 0.39 C ATOM 646 CD1 PHE A 41 14.257 -9.160 1.412 1.00 0.80 C ATOM 647 CD2 PHE A 41 12.890 -10.105 3.174 1.00 0.22 C ATOM 648 CE1 PHE A 41 14.237 -7.925 2.061 1.00 1.03 C ATOM 649 CE2 PHE A 41 12.872 -8.866 3.819 1.00 0.43 C ATOM 650 CZ PHE A 41 13.547 -7.779 3.264 1.00 0.84 C ATOM 0 H PHE A 41 13.972 -11.196 -1.324 1.00 0.27 H new ATOM 0 HA PHE A 41 15.714 -11.198 1.116 1.00 0.24 H new ATOM 0 HB2 PHE A 41 12.793 -11.678 0.561 1.00 0.17 H new ATOM 0 HB3 PHE A 41 13.539 -12.405 1.970 1.00 0.17 H new ATOM 0 HD1 PHE A 41 14.793 -9.270 0.481 1.00 0.80 H new ATOM 0 HD2 PHE A 41 12.369 -10.947 3.606 1.00 0.22 H new ATOM 0 HE1 PHE A 41 14.756 -7.081 1.631 1.00 1.03 H new ATOM 0 HE2 PHE A 41 12.335 -8.750 4.749 1.00 0.43 H new ATOM 0 HZ PHE A 41 13.535 -6.823 3.767 1.00 0.84 H new ATOM 660 N THR A 42 16.564 -13.452 0.600 1.00 0.31 N ATOM 661 CA THR A 42 17.154 -14.801 0.395 1.00 0.34 C ATOM 662 C THR A 42 18.510 -14.594 -0.256 1.00 0.44 C ATOM 663 O THR A 42 18.744 -13.576 -0.878 1.00 0.47 O ATOM 664 CB THR A 42 16.293 -15.669 -0.504 1.00 0.32 C ATOM 665 OG1 THR A 42 16.876 -16.963 -0.607 1.00 0.41 O ATOM 666 CG2 THR A 42 16.227 -15.030 -1.879 1.00 0.27 C ATOM 0 H THR A 42 17.203 -12.793 1.046 1.00 0.31 H new ATOM 0 HA THR A 42 17.231 -15.313 1.354 1.00 0.34 H new ATOM 0 HB THR A 42 15.289 -15.759 -0.089 1.00 0.32 H new ATOM 0 HG1 THR A 42 16.321 -17.527 -1.186 1.00 0.41 H new ATOM 0 HG21 THR A 42 15.611 -15.644 -2.536 1.00 0.27 H new ATOM 0 HG22 THR A 42 15.790 -14.035 -1.797 1.00 0.27 H new ATOM 0 HG23 THR A 42 17.232 -14.952 -2.293 1.00 0.27 H new ATOM 674 N GLY A 43 19.429 -15.507 -0.089 1.00 0.53 N ATOM 675 CA GLY A 43 20.776 -15.270 -0.671 1.00 0.65 C ATOM 676 C GLY A 43 21.172 -13.859 -0.241 1.00 0.67 C ATOM 677 O GLY A 43 21.926 -13.170 -0.898 1.00 0.74 O ATOM 0 H GLY A 43 19.308 -16.386 0.414 1.00 0.53 H new ATOM 0 HA2 GLY A 43 21.494 -16.005 -0.308 1.00 0.65 H new ATOM 0 HA3 GLY A 43 20.753 -15.356 -1.757 1.00 0.65 H new ATOM 681 N SER A 44 20.620 -13.435 0.870 1.00 0.61 N ATOM 682 CA SER A 44 20.880 -12.081 1.404 1.00 0.63 C ATOM 683 C SER A 44 21.848 -12.210 2.580 1.00 0.60 C ATOM 684 O SER A 44 22.194 -13.306 2.974 1.00 0.53 O ATOM 685 CB SER A 44 19.539 -11.503 1.862 1.00 0.58 C ATOM 686 OG SER A 44 19.066 -10.589 0.882 1.00 2.54 O ATOM 0 H SER A 44 19.984 -13.995 1.437 1.00 0.61 H new ATOM 0 HA SER A 44 21.323 -11.423 0.656 1.00 0.63 H new ATOM 0 HB2 SER A 44 18.815 -12.304 2.009 1.00 0.58 H new ATOM 0 HB3 SER A 44 19.655 -10.999 2.821 1.00 0.58 H new ATOM 0 HG SER A 44 18.170 -10.858 0.589 1.00 2.54 H new ATOM 692 N PHE A 45 22.313 -11.127 3.144 1.00 0.67 N ATOM 693 CA PHE A 45 23.267 -11.267 4.272 1.00 0.60 C ATOM 694 C PHE A 45 23.115 -10.134 5.257 1.00 0.62 C ATOM 695 O PHE A 45 22.623 -9.075 4.948 1.00 0.82 O ATOM 696 CB PHE A 45 24.701 -11.261 3.761 1.00 0.72 C ATOM 697 CG PHE A 45 25.023 -12.607 3.186 1.00 0.74 C ATOM 698 CD1 PHE A 45 24.512 -12.954 1.942 1.00 0.61 C ATOM 699 CD2 PHE A 45 25.836 -13.501 3.890 1.00 0.92 C ATOM 700 CE1 PHE A 45 24.804 -14.188 1.385 1.00 0.70 C ATOM 701 CE2 PHE A 45 26.136 -14.748 3.336 1.00 0.98 C ATOM 702 CZ PHE A 45 25.622 -15.094 2.076 1.00 0.88 C ATOM 0 H PHE A 45 22.077 -10.171 2.877 1.00 0.67 H new ATOM 0 HA PHE A 45 23.046 -12.213 4.766 1.00 0.60 H new ATOM 0 HB2 PHE A 45 24.827 -10.488 3.002 1.00 0.72 H new ATOM 0 HB3 PHE A 45 25.389 -11.025 4.573 1.00 0.72 H new ATOM 0 HD1 PHE A 45 23.884 -12.258 1.406 1.00 0.61 H new ATOM 0 HD2 PHE A 45 26.230 -13.229 4.858 1.00 0.92 H new ATOM 0 HE1 PHE A 45 24.402 -14.453 0.418 1.00 0.70 H new ATOM 0 HE2 PHE A 45 26.761 -15.444 3.875 1.00 0.98 H new ATOM 0 HZ PHE A 45 25.856 -16.054 1.640 1.00 0.88 H new ATOM 712 N ALA A 46 23.569 -10.368 6.440 1.00 0.47 N ATOM 713 CA ALA A 46 23.537 -9.338 7.495 1.00 0.57 C ATOM 714 C ALA A 46 24.967 -9.240 8.015 1.00 0.40 C ATOM 715 O ALA A 46 25.690 -10.217 8.004 1.00 0.34 O ATOM 716 CB ALA A 46 22.576 -9.749 8.608 1.00 0.73 C ATOM 0 H ALA A 46 23.974 -11.258 6.730 1.00 0.47 H new ATOM 0 HA ALA A 46 23.186 -8.377 7.118 1.00 0.57 H new ATOM 0 HB1 ALA A 46 22.563 -8.979 9.380 1.00 0.73 H new ATOM 0 HB2 ALA A 46 21.573 -9.869 8.197 1.00 0.73 H new ATOM 0 HB3 ALA A 46 22.905 -10.693 9.043 1.00 0.73 H new ATOM 722 N ARG A 47 25.421 -8.098 8.430 1.00 0.47 N ATOM 723 CA ARG A 47 26.834 -8.032 8.882 1.00 0.40 C ATOM 724 C ARG A 47 26.859 -7.859 10.388 1.00 0.31 C ATOM 725 O ARG A 47 26.170 -7.032 10.944 1.00 0.48 O ATOM 726 CB ARG A 47 27.525 -6.838 8.225 1.00 0.64 C ATOM 727 CG ARG A 47 28.852 -6.570 8.944 1.00 0.24 C ATOM 728 CD ARG A 47 29.753 -7.802 8.842 1.00 1.81 C ATOM 729 NE ARG A 47 30.814 -7.557 7.824 1.00 2.41 N ATOM 730 CZ ARG A 47 31.565 -6.492 7.908 1.00 1.75 C ATOM 731 NH1 ARG A 47 32.615 -6.489 8.684 1.00 1.45 N ATOM 732 NH2 ARG A 47 31.264 -5.430 7.214 1.00 1.54 N ATOM 0 H ARG A 47 24.893 -7.227 8.477 1.00 0.47 H new ATOM 0 HA ARG A 47 27.354 -8.949 8.603 1.00 0.40 H new ATOM 0 HB2 ARG A 47 27.704 -7.041 7.169 1.00 0.64 H new ATOM 0 HB3 ARG A 47 26.885 -5.957 8.277 1.00 0.64 H new ATOM 0 HG2 ARG A 47 29.349 -5.707 8.501 1.00 0.24 H new ATOM 0 HG3 ARG A 47 28.667 -6.329 9.991 1.00 0.24 H new ATOM 0 HD2 ARG A 47 30.205 -8.016 9.810 1.00 1.81 H new ATOM 0 HD3 ARG A 47 29.163 -8.676 8.565 1.00 1.81 H new ATOM 0 HE ARG A 47 30.953 -8.221 7.062 1.00 2.41 H new ATOM 0 HH11 ARG A 47 32.851 -7.320 9.227 1.00 1.45 H new ATOM 0 HH12 ARG A 47 33.200 -5.656 8.748 1.00 1.45 H new ATOM 0 HH21 ARG A 47 30.444 -5.433 6.608 1.00 1.54 H new ATOM 0 HH22 ARG A 47 31.849 -4.597 7.278 1.00 1.54 H new ATOM 746 N PHE A 48 27.632 -8.665 11.055 1.00 0.16 N ATOM 747 CA PHE A 48 27.681 -8.578 12.522 1.00 0.32 C ATOM 748 C PHE A 48 29.029 -8.032 12.966 1.00 0.43 C ATOM 749 O PHE A 48 30.040 -8.702 12.971 1.00 0.48 O ATOM 750 CB PHE A 48 27.469 -9.973 13.119 1.00 0.33 C ATOM 751 CG PHE A 48 28.706 -10.813 12.892 1.00 0.38 C ATOM 752 CD1 PHE A 48 28.951 -11.379 11.635 1.00 0.33 C ATOM 753 CD2 PHE A 48 29.618 -11.010 13.938 1.00 0.58 C ATOM 754 CE1 PHE A 48 30.107 -12.141 11.424 1.00 0.51 C ATOM 755 CE2 PHE A 48 30.771 -11.774 13.728 1.00 0.70 C ATOM 756 CZ PHE A 48 31.016 -12.338 12.469 1.00 0.67 C ATOM 0 H PHE A 48 28.230 -9.379 10.639 1.00 0.16 H new ATOM 0 HA PHE A 48 26.895 -7.907 12.869 1.00 0.32 H new ATOM 0 HB2 PHE A 48 27.260 -9.895 14.186 1.00 0.33 H new ATOM 0 HB3 PHE A 48 26.604 -10.449 12.658 1.00 0.33 H new ATOM 0 HD1 PHE A 48 28.249 -11.228 10.828 1.00 0.33 H new ATOM 0 HD2 PHE A 48 29.430 -10.572 14.907 1.00 0.58 H new ATOM 0 HE1 PHE A 48 30.297 -12.577 10.454 1.00 0.51 H new ATOM 0 HE2 PHE A 48 31.471 -11.929 14.535 1.00 0.70 H new ATOM 0 HZ PHE A 48 31.907 -12.925 12.305 1.00 0.67 H new ATOM 766 N GLU A 49 29.028 -6.817 13.372 1.00 0.54 N ATOM 767 CA GLU A 49 30.272 -6.196 13.874 1.00 0.67 C ATOM 768 C GLU A 49 30.097 -5.998 15.376 1.00 0.66 C ATOM 769 O GLU A 49 30.584 -5.046 15.948 1.00 0.75 O ATOM 770 CB GLU A 49 30.495 -4.847 13.194 1.00 0.88 C ATOM 771 CG GLU A 49 31.948 -4.757 12.727 1.00 1.50 C ATOM 772 CD GLU A 49 32.829 -4.314 13.896 1.00 2.21 C ATOM 773 OE1 GLU A 49 32.309 -3.674 14.793 1.00 2.72 O ATOM 774 OE2 GLU A 49 34.010 -4.624 13.873 1.00 3.95 O ATOM 0 H GLU A 49 28.208 -6.210 13.381 1.00 0.54 H new ATOM 0 HA GLU A 49 31.135 -6.827 13.661 1.00 0.67 H new ATOM 0 HB2 GLU A 49 29.820 -4.737 12.345 1.00 0.88 H new ATOM 0 HB3 GLU A 49 30.271 -4.035 13.886 1.00 0.88 H new ATOM 0 HG2 GLU A 49 32.282 -5.724 12.352 1.00 1.50 H new ATOM 0 HG3 GLU A 49 32.034 -4.048 11.903 1.00 1.50 H new ATOM 781 N ASP A 50 29.369 -6.895 16.007 1.00 0.58 N ATOM 782 CA ASP A 50 29.115 -6.770 17.468 1.00 0.63 C ATOM 783 C ASP A 50 28.854 -5.299 17.779 1.00 0.82 C ATOM 784 O ASP A 50 29.381 -4.745 18.723 1.00 0.69 O ATOM 785 CB ASP A 50 30.336 -7.256 18.254 1.00 0.57 C ATOM 786 CG ASP A 50 31.559 -6.415 17.881 1.00 2.51 C ATOM 787 OD1 ASP A 50 31.781 -5.407 18.530 1.00 3.45 O ATOM 788 OD2 ASP A 50 32.252 -6.794 16.951 1.00 3.78 O ATOM 0 H ASP A 50 28.942 -7.708 15.564 1.00 0.58 H new ATOM 0 HA ASP A 50 28.256 -7.377 17.753 1.00 0.63 H new ATOM 0 HB2 ASP A 50 30.144 -7.182 19.324 1.00 0.57 H new ATOM 0 HB3 ASP A 50 30.526 -8.307 18.036 1.00 0.57 H new ATOM 793 N GLY A 51 28.046 -4.657 16.974 1.00 1.17 N ATOM 794 CA GLY A 51 27.742 -3.215 17.194 1.00 1.41 C ATOM 795 C GLY A 51 26.626 -2.788 16.242 1.00 1.06 C ATOM 796 O GLY A 51 25.629 -2.220 16.646 1.00 0.92 O ATOM 0 H GLY A 51 27.581 -5.075 16.168 1.00 1.17 H new ATOM 0 HA2 GLY A 51 27.439 -3.048 18.228 1.00 1.41 H new ATOM 0 HA3 GLY A 51 28.634 -2.612 17.022 1.00 1.41 H new ATOM 800 N GLU A 52 26.783 -3.066 14.977 1.00 0.96 N ATOM 801 CA GLU A 52 25.730 -2.687 13.994 1.00 0.63 C ATOM 802 C GLU A 52 25.429 -3.887 13.094 1.00 0.61 C ATOM 803 O GLU A 52 26.324 -4.559 12.618 1.00 0.87 O ATOM 804 CB GLU A 52 26.216 -1.508 13.143 1.00 0.57 C ATOM 805 CG GLU A 52 26.194 -0.229 13.988 1.00 0.55 C ATOM 806 CD GLU A 52 24.760 0.294 14.087 1.00 2.35 C ATOM 807 OE1 GLU A 52 24.215 0.676 13.064 1.00 3.98 O ATOM 808 OE2 GLU A 52 24.231 0.308 15.186 1.00 3.14 O ATOM 0 H GLU A 52 27.595 -3.539 14.582 1.00 0.96 H new ATOM 0 HA GLU A 52 24.824 -2.392 14.523 1.00 0.63 H new ATOM 0 HB2 GLU A 52 27.225 -1.699 12.779 1.00 0.57 H new ATOM 0 HB3 GLU A 52 25.578 -1.390 12.267 1.00 0.57 H new ATOM 0 HG2 GLU A 52 26.588 -0.432 14.984 1.00 0.55 H new ATOM 0 HG3 GLU A 52 26.838 0.527 13.539 1.00 0.55 H new ATOM 815 N LEU A 53 24.177 -4.150 12.841 1.00 0.49 N ATOM 816 CA LEU A 53 23.817 -5.285 11.958 1.00 0.54 C ATOM 817 C LEU A 53 23.155 -4.701 10.722 1.00 0.49 C ATOM 818 O LEU A 53 21.980 -4.408 10.700 1.00 0.90 O ATOM 819 CB LEU A 53 22.850 -6.217 12.691 1.00 1.05 C ATOM 820 CG LEU A 53 22.130 -7.132 11.694 1.00 0.84 C ATOM 821 CD1 LEU A 53 22.536 -8.587 11.935 1.00 0.64 C ATOM 822 CD2 LEU A 53 20.621 -6.991 11.892 1.00 1.08 C ATOM 0 H LEU A 53 23.387 -3.623 13.212 1.00 0.49 H new ATOM 0 HA LEU A 53 24.698 -5.863 11.679 1.00 0.54 H new ATOM 0 HB2 LEU A 53 23.396 -6.819 13.418 1.00 1.05 H new ATOM 0 HB3 LEU A 53 22.120 -5.629 13.248 1.00 1.05 H new ATOM 0 HG LEU A 53 22.403 -6.848 10.678 1.00 0.84 H new ATOM 0 HD11 LEU A 53 22.020 -9.231 11.223 1.00 0.64 H new ATOM 0 HD12 LEU A 53 23.613 -8.691 11.804 1.00 0.64 H new ATOM 0 HD13 LEU A 53 22.264 -8.877 12.950 1.00 0.64 H new ATOM 0 HD21 LEU A 53 20.099 -7.638 11.187 1.00 1.08 H new ATOM 0 HD22 LEU A 53 20.359 -7.278 12.910 1.00 1.08 H new ATOM 0 HD23 LEU A 53 20.327 -5.956 11.720 1.00 1.08 H new ATOM 834 N TYR A 54 23.926 -4.529 9.701 1.00 0.48 N ATOM 835 CA TYR A 54 23.407 -3.939 8.436 1.00 0.88 C ATOM 836 C TYR A 54 22.914 -5.018 7.494 1.00 0.81 C ATOM 837 O TYR A 54 23.441 -6.110 7.467 1.00 0.66 O ATOM 838 CB TYR A 54 24.559 -3.275 7.682 1.00 1.20 C ATOM 839 CG TYR A 54 25.411 -2.431 8.594 1.00 0.92 C ATOM 840 CD1 TYR A 54 26.403 -3.024 9.384 1.00 0.75 C ATOM 841 CD2 TYR A 54 25.229 -1.046 8.623 1.00 0.89 C ATOM 842 CE1 TYR A 54 27.209 -2.226 10.207 1.00 0.53 C ATOM 843 CE2 TYR A 54 26.034 -0.249 9.439 1.00 0.63 C ATOM 844 CZ TYR A 54 27.026 -0.838 10.232 1.00 0.39 C ATOM 845 OH TYR A 54 27.826 -0.051 11.033 1.00 0.24 O ATOM 0 H TYR A 54 24.916 -4.775 9.681 1.00 0.48 H new ATOM 0 HA TYR A 54 22.610 -3.247 8.709 1.00 0.88 H new ATOM 0 HB2 TYR A 54 25.177 -4.041 7.214 1.00 1.20 H new ATOM 0 HB3 TYR A 54 24.159 -2.654 6.880 1.00 1.20 H new ATOM 0 HD1 TYR A 54 26.547 -4.094 9.359 1.00 0.75 H new ATOM 0 HD2 TYR A 54 24.463 -0.591 8.012 1.00 0.89 H new ATOM 0 HE1 TYR A 54 27.971 -2.681 10.822 1.00 0.53 H new ATOM 0 HE2 TYR A 54 25.892 0.821 9.458 1.00 0.63 H new ATOM 0 HH TYR A 54 27.567 0.889 10.931 1.00 0.24 H new ATOM 855 N LEU A 55 21.997 -4.696 6.622 1.00 1.01 N ATOM 856 CA LEU A 55 21.641 -5.708 5.620 1.00 1.05 C ATOM 857 C LEU A 55 22.727 -5.530 4.547 1.00 0.88 C ATOM 858 O LEU A 55 22.905 -4.453 4.020 1.00 1.63 O ATOM 859 CB LEU A 55 20.206 -5.538 5.083 1.00 2.03 C ATOM 860 CG LEU A 55 20.072 -4.333 4.156 1.00 0.29 C ATOM 861 CD1 LEU A 55 20.745 -4.601 2.812 1.00 2.73 C ATOM 862 CD2 LEU A 55 18.583 -4.038 3.923 1.00 1.66 C ATOM 0 H LEU A 55 21.501 -3.806 6.568 1.00 1.01 H new ATOM 0 HA LEU A 55 21.621 -6.721 6.023 1.00 1.05 H new ATOM 0 HB2 LEU A 55 19.912 -6.440 4.547 1.00 2.03 H new ATOM 0 HB3 LEU A 55 19.518 -5.427 5.921 1.00 2.03 H new ATOM 0 HG LEU A 55 20.559 -3.479 4.625 1.00 0.29 H new ATOM 0 HD11 LEU A 55 20.635 -3.727 2.170 1.00 2.73 H new ATOM 0 HD12 LEU A 55 21.804 -4.805 2.970 1.00 2.73 H new ATOM 0 HD13 LEU A 55 20.277 -5.462 2.336 1.00 2.73 H new ATOM 0 HD21 LEU A 55 18.482 -3.178 3.261 1.00 1.66 H new ATOM 0 HD22 LEU A 55 18.107 -4.906 3.466 1.00 1.66 H new ATOM 0 HD23 LEU A 55 18.102 -3.821 4.877 1.00 1.66 H new ATOM 874 N GLU A 56 23.532 -6.523 4.285 1.00 0.54 N ATOM 875 CA GLU A 56 24.650 -6.309 3.321 1.00 0.80 C ATOM 876 C GLU A 56 24.328 -6.914 1.954 1.00 0.83 C ATOM 877 O GLU A 56 24.373 -6.227 0.952 1.00 1.31 O ATOM 878 CB GLU A 56 25.944 -6.902 3.907 1.00 1.07 C ATOM 879 CG GLU A 56 26.023 -8.403 3.625 1.00 1.01 C ATOM 880 CD GLU A 56 27.333 -8.957 4.187 1.00 0.97 C ATOM 881 OE1 GLU A 56 27.419 -9.114 5.394 1.00 1.54 O ATOM 882 OE2 GLU A 56 28.228 -9.216 3.400 1.00 1.00 O ATOM 0 H GLU A 56 23.468 -7.458 4.688 1.00 0.54 H new ATOM 0 HA GLU A 56 24.788 -5.239 3.167 1.00 0.80 H new ATOM 0 HB2 GLU A 56 26.809 -6.399 3.475 1.00 1.07 H new ATOM 0 HB3 GLU A 56 25.977 -6.726 4.982 1.00 1.07 H new ATOM 0 HG2 GLU A 56 25.174 -8.915 4.079 1.00 1.01 H new ATOM 0 HG3 GLU A 56 25.969 -8.586 2.552 1.00 1.01 H new ATOM 889 N ASN A 57 23.989 -8.169 1.877 1.00 0.45 N ATOM 890 CA ASN A 57 23.659 -8.730 0.540 1.00 0.44 C ATOM 891 C ASN A 57 22.193 -8.421 0.246 1.00 0.53 C ATOM 892 O ASN A 57 21.699 -8.683 -0.832 1.00 0.89 O ATOM 893 CB ASN A 57 23.901 -10.244 0.499 1.00 0.47 C ATOM 894 CG ASN A 57 24.296 -10.660 -0.919 1.00 0.66 C ATOM 895 OD1 ASN A 57 24.582 -9.826 -1.755 1.00 1.65 O ATOM 896 ND2 ASN A 57 24.326 -11.928 -1.226 1.00 0.92 N ATOM 0 H ASN A 57 23.927 -8.818 2.662 1.00 0.45 H new ATOM 0 HA ASN A 57 24.303 -8.278 -0.214 1.00 0.44 H new ATOM 0 HB2 ASN A 57 24.688 -10.516 1.202 1.00 0.47 H new ATOM 0 HB3 ASN A 57 23.001 -10.775 0.808 1.00 0.47 H new ATOM 0 HD21 ASN A 57 24.590 -12.219 -2.168 1.00 0.92 H new ATOM 0 HD22 ASN A 57 24.086 -12.628 -0.524 1.00 0.92 H new ATOM 903 N LEU A 58 21.492 -7.841 1.193 1.00 0.48 N ATOM 904 CA LEU A 58 20.070 -7.499 0.947 1.00 0.49 C ATOM 905 C LEU A 58 20.022 -6.386 -0.106 1.00 0.15 C ATOM 906 O LEU A 58 20.312 -5.244 0.178 1.00 0.28 O ATOM 907 CB LEU A 58 19.426 -7.000 2.249 1.00 0.76 C ATOM 908 CG LEU A 58 18.406 -8.026 2.735 1.00 1.21 C ATOM 909 CD1 LEU A 58 17.718 -7.491 3.989 1.00 1.57 C ATOM 910 CD2 LEU A 58 17.354 -8.258 1.650 1.00 1.41 C ATOM 0 H LEU A 58 21.848 -7.594 2.117 1.00 0.48 H new ATOM 0 HA LEU A 58 19.526 -8.377 0.597 1.00 0.49 H new ATOM 0 HB2 LEU A 58 20.191 -6.843 3.009 1.00 0.76 H new ATOM 0 HB3 LEU A 58 18.940 -6.039 2.082 1.00 0.76 H new ATOM 0 HG LEU A 58 18.913 -8.965 2.958 1.00 1.21 H new ATOM 0 HD11 LEU A 58 16.988 -8.219 4.342 1.00 1.57 H new ATOM 0 HD12 LEU A 58 18.462 -7.317 4.766 1.00 1.57 H new ATOM 0 HD13 LEU A 58 17.212 -6.554 3.755 1.00 1.57 H new ATOM 0 HD21 LEU A 58 16.627 -8.991 1.999 1.00 1.41 H new ATOM 0 HD22 LEU A 58 16.846 -7.319 1.429 1.00 1.41 H new ATOM 0 HD23 LEU A 58 17.838 -8.629 0.747 1.00 1.41 H new ATOM 922 N TYR A 59 19.684 -6.696 -1.323 1.00 0.21 N ATOM 923 CA TYR A 59 19.648 -5.626 -2.363 1.00 0.29 C ATOM 924 C TYR A 59 18.236 -5.046 -2.449 1.00 0.23 C ATOM 925 O TYR A 59 17.291 -5.735 -2.776 1.00 0.36 O ATOM 926 CB TYR A 59 20.050 -6.211 -3.718 1.00 0.52 C ATOM 927 CG TYR A 59 21.547 -6.419 -3.754 1.00 0.37 C ATOM 928 CD1 TYR A 59 22.308 -6.275 -2.584 1.00 0.37 C ATOM 929 CD2 TYR A 59 22.174 -6.761 -4.958 1.00 0.29 C ATOM 930 CE1 TYR A 59 23.695 -6.473 -2.625 1.00 0.35 C ATOM 931 CE2 TYR A 59 23.559 -6.958 -4.997 1.00 0.29 C ATOM 932 CZ TYR A 59 24.319 -6.815 -3.832 1.00 0.35 C ATOM 933 OH TYR A 59 25.684 -7.013 -3.870 1.00 0.46 O ATOM 0 H TYR A 59 19.433 -7.631 -1.644 1.00 0.21 H new ATOM 0 HA TYR A 59 20.348 -4.835 -2.093 1.00 0.29 H new ATOM 0 HB2 TYR A 59 19.537 -7.158 -3.884 1.00 0.52 H new ATOM 0 HB3 TYR A 59 19.746 -5.539 -4.521 1.00 0.52 H new ATOM 0 HD1 TYR A 59 21.826 -6.012 -1.654 1.00 0.37 H new ATOM 0 HD2 TYR A 59 21.588 -6.873 -5.858 1.00 0.29 H new ATOM 0 HE1 TYR A 59 24.283 -6.362 -1.726 1.00 0.35 H new ATOM 0 HE2 TYR A 59 24.041 -7.221 -5.927 1.00 0.29 H new ATOM 0 HH TYR A 59 25.956 -7.245 -4.783 1.00 0.46 H new ATOM 943 N ILE A 60 18.080 -3.779 -2.155 1.00 0.26 N ATOM 944 CA ILE A 60 16.725 -3.169 -2.218 1.00 0.25 C ATOM 945 C ILE A 60 16.491 -2.589 -3.613 1.00 0.38 C ATOM 946 O ILE A 60 17.063 -1.582 -3.985 1.00 0.22 O ATOM 947 CB ILE A 60 16.617 -2.061 -1.167 1.00 0.36 C ATOM 948 CG1 ILE A 60 17.042 -2.612 0.198 1.00 0.47 C ATOM 949 CG2 ILE A 60 15.170 -1.570 -1.088 1.00 0.38 C ATOM 950 CD1 ILE A 60 18.468 -2.154 0.512 1.00 1.21 C ATOM 0 H ILE A 60 18.831 -3.147 -1.876 1.00 0.26 H new ATOM 0 HA ILE A 60 15.971 -3.929 -2.016 1.00 0.25 H new ATOM 0 HB ILE A 60 17.267 -1.232 -1.446 1.00 0.36 H new ATOM 0 HG12 ILE A 60 16.358 -2.263 0.972 1.00 0.47 H new ATOM 0 HG13 ILE A 60 16.991 -3.701 0.194 1.00 0.47 H new ATOM 0 HG21 ILE A 60 15.094 -0.781 -0.340 1.00 0.38 H new ATOM 0 HG22 ILE A 60 14.865 -1.180 -2.059 1.00 0.38 H new ATOM 0 HG23 ILE A 60 14.519 -2.399 -0.809 1.00 0.38 H new ATOM 0 HD11 ILE A 60 18.770 -2.546 1.483 1.00 1.21 H new ATOM 0 HD12 ILE A 60 19.147 -2.525 -0.256 1.00 1.21 H new ATOM 0 HD13 ILE A 60 18.504 -1.065 0.533 1.00 1.21 H new ATOM 962 N ALA A 61 15.650 -3.218 -4.386 1.00 0.67 N ATOM 963 CA ALA A 61 15.370 -2.709 -5.757 1.00 0.80 C ATOM 964 C ALA A 61 13.992 -2.041 -5.768 1.00 0.82 C ATOM 965 O ALA A 61 12.982 -2.717 -5.768 1.00 0.66 O ATOM 966 CB ALA A 61 15.379 -3.878 -6.745 1.00 0.72 C ATOM 0 H ALA A 61 15.144 -4.064 -4.126 1.00 0.67 H new ATOM 0 HA ALA A 61 16.133 -1.986 -6.047 1.00 0.80 H new ATOM 0 HB1 ALA A 61 15.174 -3.507 -7.749 1.00 0.72 H new ATOM 0 HB2 ALA A 61 16.356 -4.361 -6.729 1.00 0.72 H new ATOM 0 HB3 ALA A 61 14.613 -4.600 -6.462 1.00 0.72 H new ATOM 972 N PRO A 62 13.989 -0.733 -5.775 1.00 1.03 N ATOM 973 CA PRO A 62 12.743 0.051 -5.782 1.00 1.13 C ATOM 974 C PRO A 62 12.092 0.009 -7.169 1.00 1.11 C ATOM 975 O PRO A 62 12.357 -0.878 -7.957 1.00 2.77 O ATOM 976 CB PRO A 62 13.203 1.463 -5.402 1.00 1.38 C ATOM 977 CG PRO A 62 14.714 1.537 -5.734 1.00 1.43 C ATOM 978 CD PRO A 62 15.220 0.083 -5.783 1.00 1.22 C ATOM 0 HA PRO A 62 11.985 -0.328 -5.097 1.00 1.13 H new ATOM 0 HB2 PRO A 62 12.646 2.216 -5.960 1.00 1.38 H new ATOM 0 HB3 PRO A 62 13.028 1.656 -4.344 1.00 1.38 H new ATOM 0 HG2 PRO A 62 14.878 2.038 -6.688 1.00 1.43 H new ATOM 0 HG3 PRO A 62 15.250 2.110 -4.977 1.00 1.43 H new ATOM 0 HD2 PRO A 62 15.814 -0.102 -6.678 1.00 1.22 H new ATOM 0 HD3 PRO A 62 15.855 -0.146 -4.927 1.00 1.22 H new ATOM 986 N TYR A 63 11.236 0.945 -7.474 1.00 0.94 N ATOM 987 CA TYR A 63 10.569 0.930 -8.808 1.00 1.02 C ATOM 988 C TYR A 63 10.662 2.317 -9.437 1.00 2.49 C ATOM 989 O TYR A 63 9.940 2.645 -10.359 1.00 2.66 O ATOM 990 CB TYR A 63 9.098 0.548 -8.634 1.00 1.43 C ATOM 991 CG TYR A 63 8.736 -0.537 -9.613 1.00 1.59 C ATOM 992 CD1 TYR A 63 8.600 -0.235 -10.973 1.00 1.82 C ATOM 993 CD2 TYR A 63 8.525 -1.844 -9.160 1.00 1.94 C ATOM 994 CE1 TYR A 63 8.255 -1.242 -11.880 1.00 2.28 C ATOM 995 CE2 TYR A 63 8.179 -2.849 -10.066 1.00 2.65 C ATOM 996 CZ TYR A 63 8.043 -2.551 -11.427 1.00 2.76 C ATOM 997 OH TYR A 63 7.699 -3.544 -12.319 1.00 3.49 O ATOM 0 H TYR A 63 10.970 1.716 -6.861 1.00 0.94 H new ATOM 0 HA TYR A 63 11.061 0.204 -9.455 1.00 1.02 H new ATOM 0 HB2 TYR A 63 8.919 0.206 -7.615 1.00 1.43 H new ATOM 0 HB3 TYR A 63 8.464 1.421 -8.793 1.00 1.43 H new ATOM 0 HD1 TYR A 63 8.761 0.774 -11.321 1.00 1.82 H new ATOM 0 HD2 TYR A 63 8.630 -2.076 -8.110 1.00 1.94 H new ATOM 0 HE1 TYR A 63 8.152 -1.011 -12.930 1.00 2.28 H new ATOM 0 HE2 TYR A 63 8.016 -3.858 -9.716 1.00 2.65 H new ATOM 0 HH TYR A 63 7.591 -4.392 -11.839 1.00 3.49 H new ATOM 1007 N GLU A 64 11.544 3.133 -8.943 1.00 3.71 N ATOM 1008 CA GLU A 64 11.692 4.501 -9.500 1.00 5.17 C ATOM 1009 C GLU A 64 13.165 4.758 -9.810 1.00 5.90 C ATOM 1010 O GLU A 64 13.692 5.822 -9.555 1.00 7.67 O ATOM 1011 CB GLU A 64 11.195 5.510 -8.466 1.00 7.13 C ATOM 1012 CG GLU A 64 9.666 5.542 -8.488 1.00 7.70 C ATOM 1013 CD GLU A 64 9.182 6.995 -8.511 1.00 9.56 C ATOM 1014 OE1 GLU A 64 9.203 7.588 -9.577 1.00 9.81 O ATOM 1015 OE2 GLU A 64 8.795 7.486 -7.464 1.00 10.97 O ATOM 0 H GLU A 64 12.173 2.910 -8.172 1.00 3.71 H new ATOM 0 HA GLU A 64 11.110 4.601 -10.416 1.00 5.17 H new ATOM 0 HB2 GLU A 64 11.551 5.236 -7.473 1.00 7.13 H new ATOM 0 HB3 GLU A 64 11.594 6.500 -8.685 1.00 7.13 H new ATOM 0 HG2 GLU A 64 9.294 5.010 -9.364 1.00 7.70 H new ATOM 0 HG3 GLU A 64 9.269 5.030 -7.612 1.00 7.70 H new ATOM 1022 N LYS A 65 13.831 3.778 -10.355 1.00 5.08 N ATOM 1023 CA LYS A 65 15.278 3.938 -10.683 1.00 6.66 C ATOM 1024 C LYS A 65 15.716 2.791 -11.599 1.00 5.33 C ATOM 1025 O LYS A 65 16.240 1.793 -11.149 1.00 5.76 O ATOM 1026 CB LYS A 65 16.096 3.888 -9.387 1.00 8.38 C ATOM 1027 CG LYS A 65 16.310 5.305 -8.850 1.00 8.99 C ATOM 1028 CD LYS A 65 17.449 5.300 -7.825 1.00 11.35 C ATOM 1029 CE LYS A 65 17.693 6.726 -7.325 1.00 11.98 C ATOM 1030 NZ LYS A 65 18.689 6.703 -6.215 1.00 12.47 N ATOM 0 H LYS A 65 13.434 2.868 -10.589 1.00 5.08 H new ATOM 0 HA LYS A 65 15.439 4.892 -11.185 1.00 6.66 H new ATOM 0 HB2 LYS A 65 15.578 3.282 -8.643 1.00 8.38 H new ATOM 0 HB3 LYS A 65 17.058 3.411 -9.572 1.00 8.38 H new ATOM 0 HG2 LYS A 65 16.548 5.983 -9.670 1.00 8.99 H new ATOM 0 HG3 LYS A 65 15.393 5.672 -8.388 1.00 8.99 H new ATOM 0 HD2 LYS A 65 17.197 4.648 -6.989 1.00 11.35 H new ATOM 0 HD3 LYS A 65 18.357 4.901 -8.277 1.00 11.35 H new ATOM 0 HE2 LYS A 65 18.057 7.351 -8.141 1.00 11.98 H new ATOM 0 HE3 LYS A 65 16.758 7.166 -6.979 1.00 11.98 H new ATOM 0 HZ1 LYS A 65 18.854 7.672 -5.876 1.00 12.47 H new ATOM 0 HZ2 LYS A 65 18.325 6.121 -5.434 1.00 12.47 H new ATOM 0 HZ3 LYS A 65 19.584 6.300 -6.560 1.00 12.47 H new ATOM 1044 N GLY A 66 15.497 2.918 -12.879 1.00 3.83 N ATOM 1045 CA GLY A 66 15.893 1.825 -13.813 1.00 2.69 C ATOM 1046 C GLY A 66 17.365 1.975 -14.205 1.00 1.89 C ATOM 1047 O GLY A 66 18.031 1.011 -14.524 1.00 0.38 O ATOM 0 H GLY A 66 15.062 3.729 -13.318 1.00 3.83 H new ATOM 0 HA2 GLY A 66 15.731 0.856 -13.341 1.00 2.69 H new ATOM 0 HA3 GLY A 66 15.267 1.853 -14.705 1.00 2.69 H new ATOM 1051 N SER A 67 17.878 3.173 -14.191 1.00 4.01 N ATOM 1052 CA SER A 67 19.305 3.370 -14.571 1.00 4.12 C ATOM 1053 C SER A 67 20.203 3.099 -13.364 1.00 3.55 C ATOM 1054 O SER A 67 19.903 3.489 -12.253 1.00 5.38 O ATOM 1055 CB SER A 67 19.512 4.807 -15.047 1.00 7.09 C ATOM 1056 OG SER A 67 20.481 4.820 -16.087 1.00 7.98 O ATOM 0 H SER A 67 17.374 4.022 -13.934 1.00 4.01 H new ATOM 0 HA SER A 67 19.562 2.679 -15.374 1.00 4.12 H new ATOM 0 HB2 SER A 67 18.571 5.223 -15.406 1.00 7.09 H new ATOM 0 HB3 SER A 67 19.842 5.433 -14.218 1.00 7.09 H new ATOM 0 HG SER A 67 20.616 5.740 -16.397 1.00 7.98 H new ATOM 1062 N TYR A 68 21.303 2.432 -13.572 1.00 1.97 N ATOM 1063 CA TYR A 68 22.218 2.137 -12.436 1.00 2.66 C ATOM 1064 C TYR A 68 23.652 2.494 -12.826 1.00 2.38 C ATOM 1065 O TYR A 68 24.105 2.196 -13.914 1.00 2.80 O ATOM 1066 CB TYR A 68 22.141 0.652 -12.091 1.00 3.39 C ATOM 1067 CG TYR A 68 20.774 0.331 -11.538 1.00 4.58 C ATOM 1068 CD1 TYR A 68 19.712 0.058 -12.409 1.00 4.90 C ATOM 1069 CD2 TYR A 68 20.572 0.292 -10.154 1.00 5.47 C ATOM 1070 CE1 TYR A 68 18.449 -0.255 -11.895 1.00 6.00 C ATOM 1071 CE2 TYR A 68 19.308 -0.018 -9.639 1.00 6.61 C ATOM 1072 CZ TYR A 68 18.246 -0.291 -10.509 1.00 6.84 C ATOM 1073 OH TYR A 68 17.002 -0.606 -10.003 1.00 7.96 O ATOM 0 H TYR A 68 21.608 2.079 -14.479 1.00 1.97 H new ATOM 0 HA TYR A 68 21.920 2.728 -11.570 1.00 2.66 H new ATOM 0 HB2 TYR A 68 22.335 0.051 -12.980 1.00 3.39 H new ATOM 0 HB3 TYR A 68 22.909 0.398 -11.360 1.00 3.39 H new ATOM 0 HD1 TYR A 68 19.868 0.089 -13.477 1.00 4.90 H new ATOM 0 HD2 TYR A 68 21.392 0.501 -9.483 1.00 5.47 H new ATOM 0 HE1 TYR A 68 17.631 -0.469 -12.566 1.00 6.00 H new ATOM 0 HE2 TYR A 68 19.152 -0.047 -8.571 1.00 6.61 H new ATOM 0 HH TYR A 68 16.366 0.104 -10.232 1.00 7.96 H new ATOM 1083 N ALA A 69 24.368 3.131 -11.944 1.00 3.03 N ATOM 1084 CA ALA A 69 25.774 3.514 -12.253 1.00 3.02 C ATOM 1085 C ALA A 69 26.603 3.454 -10.970 1.00 3.12 C ATOM 1086 O ALA A 69 27.696 2.925 -10.946 1.00 3.49 O ATOM 1087 CB ALA A 69 25.802 4.936 -12.813 1.00 3.46 C ATOM 0 H ALA A 69 24.039 3.404 -11.018 1.00 3.03 H new ATOM 0 HA ALA A 69 26.189 2.827 -12.990 1.00 3.02 H new ATOM 0 HB1 ALA A 69 26.830 5.218 -13.040 1.00 3.46 H new ATOM 0 HB2 ALA A 69 25.205 4.980 -13.724 1.00 3.46 H new ATOM 0 HB3 ALA A 69 25.391 5.626 -12.076 1.00 3.46 H new ATOM 1093 N ASN A 70 26.085 3.993 -9.901 1.00 3.14 N ATOM 1094 CA ASN A 70 26.829 3.974 -8.612 1.00 3.64 C ATOM 1095 C ASN A 70 25.964 4.621 -7.530 1.00 3.87 C ATOM 1096 O ASN A 70 26.462 5.253 -6.620 1.00 4.07 O ATOM 1097 CB ASN A 70 28.131 4.764 -8.763 1.00 3.84 C ATOM 1098 CG ASN A 70 28.943 4.666 -7.469 1.00 4.27 C ATOM 1099 OD1 ASN A 70 28.872 5.538 -6.625 1.00 5.90 O ATOM 1100 ND2 ASN A 70 29.716 3.632 -7.275 1.00 3.42 N ATOM 0 H ASN A 70 25.173 4.448 -9.866 1.00 3.14 H new ATOM 0 HA ASN A 70 27.061 2.946 -8.334 1.00 3.64 H new ATOM 0 HB2 ASN A 70 28.711 4.373 -9.599 1.00 3.84 H new ATOM 0 HB3 ASN A 70 27.911 5.808 -8.988 1.00 3.84 H new ATOM 0 HD21 ASN A 70 30.260 3.556 -6.416 1.00 3.42 H new ATOM 0 HD22 ASN A 70 29.776 2.900 -7.983 1.00 3.42 H new ATOM 1107 N VAL A 71 24.670 4.476 -7.628 1.00 4.01 N ATOM 1108 CA VAL A 71 23.775 5.096 -6.612 1.00 4.33 C ATOM 1109 C VAL A 71 23.194 4.019 -5.694 1.00 3.43 C ATOM 1110 O VAL A 71 23.198 2.844 -6.007 1.00 3.20 O ATOM 1111 CB VAL A 71 22.636 5.837 -7.316 1.00 5.14 C ATOM 1112 CG1 VAL A 71 23.207 7.028 -8.086 1.00 6.19 C ATOM 1113 CG2 VAL A 71 21.929 4.887 -8.289 1.00 4.90 C ATOM 0 H VAL A 71 24.196 3.956 -8.366 1.00 4.01 H new ATOM 0 HA VAL A 71 24.353 5.799 -6.013 1.00 4.33 H new ATOM 0 HB VAL A 71 21.919 6.192 -6.575 1.00 5.14 H new ATOM 0 HG11 VAL A 71 22.398 7.558 -8.589 1.00 6.19 H new ATOM 0 HG12 VAL A 71 23.707 7.704 -7.392 1.00 6.19 H new ATOM 0 HG13 VAL A 71 23.923 6.673 -8.827 1.00 6.19 H new ATOM 0 HG21 VAL A 71 21.118 5.416 -8.790 1.00 4.90 H new ATOM 0 HG22 VAL A 71 22.642 4.530 -9.032 1.00 4.90 H new ATOM 0 HG23 VAL A 71 21.523 4.038 -7.739 1.00 4.90 H new ATOM 1123 N ASP A 72 22.696 4.422 -4.559 1.00 3.14 N ATOM 1124 CA ASP A 72 22.105 3.449 -3.596 1.00 2.47 C ATOM 1125 C ASP A 72 20.585 3.608 -3.593 1.00 2.38 C ATOM 1126 O ASP A 72 20.076 4.684 -3.835 1.00 2.77 O ATOM 1127 CB ASP A 72 22.650 3.726 -2.193 1.00 3.03 C ATOM 1128 CG ASP A 72 24.123 4.126 -2.287 1.00 3.14 C ATOM 1129 OD1 ASP A 72 24.824 3.544 -3.097 1.00 2.76 O ATOM 1130 OD2 ASP A 72 24.526 5.009 -1.547 1.00 3.69 O ATOM 0 H ASP A 72 22.673 5.395 -4.253 1.00 3.14 H new ATOM 0 HA ASP A 72 22.367 2.433 -3.892 1.00 2.47 H new ATOM 0 HB2 ASP A 72 22.076 4.522 -1.719 1.00 3.03 H new ATOM 0 HB3 ASP A 72 22.542 2.840 -1.568 1.00 3.03 H new ATOM 1135 N PRO A 73 19.903 2.529 -3.319 1.00 1.89 N ATOM 1136 CA PRO A 73 18.432 2.511 -3.279 1.00 1.75 C ATOM 1137 C PRO A 73 17.919 3.273 -2.049 1.00 1.92 C ATOM 1138 O PRO A 73 18.639 4.045 -1.449 1.00 3.42 O ATOM 1139 CB PRO A 73 18.081 1.026 -3.233 1.00 1.27 C ATOM 1140 CG PRO A 73 19.337 0.306 -2.719 1.00 1.15 C ATOM 1141 CD PRO A 73 20.532 1.234 -3.009 1.00 1.50 C ATOM 0 HA PRO A 73 17.969 3.004 -4.134 1.00 1.75 H new ATOM 0 HB2 PRO A 73 17.232 0.847 -2.573 1.00 1.27 H new ATOM 0 HB3 PRO A 73 17.800 0.661 -4.221 1.00 1.27 H new ATOM 0 HG2 PRO A 73 19.256 0.102 -1.651 1.00 1.15 H new ATOM 0 HG3 PRO A 73 19.463 -0.655 -3.218 1.00 1.15 H new ATOM 0 HD2 PRO A 73 21.199 1.308 -2.150 1.00 1.50 H new ATOM 0 HD3 PRO A 73 21.129 0.869 -3.845 1.00 1.50 H new ATOM 1149 N ARG A 74 16.680 3.083 -1.683 1.00 0.53 N ATOM 1150 CA ARG A 74 16.129 3.824 -0.508 1.00 0.74 C ATOM 1151 C ARG A 74 16.583 3.171 0.798 1.00 0.71 C ATOM 1152 O ARG A 74 17.071 3.833 1.694 1.00 0.73 O ATOM 1153 CB ARG A 74 14.603 3.815 -0.573 1.00 0.99 C ATOM 1154 CG ARG A 74 14.126 4.942 -1.486 1.00 0.98 C ATOM 1155 CD ARG A 74 13.729 6.148 -0.636 1.00 1.32 C ATOM 1156 NE ARG A 74 14.931 6.992 -0.383 1.00 1.47 N ATOM 1157 CZ ARG A 74 15.300 7.881 -1.264 1.00 1.65 C ATOM 1158 NH1 ARG A 74 14.828 9.096 -1.199 1.00 3.04 N ATOM 1159 NH2 ARG A 74 16.141 7.556 -2.208 1.00 1.83 N ATOM 0 H ARG A 74 16.026 2.450 -2.144 1.00 0.53 H new ATOM 0 HA ARG A 74 16.497 4.850 -0.536 1.00 0.74 H new ATOM 0 HB2 ARG A 74 14.250 2.854 -0.948 1.00 0.99 H new ATOM 0 HB3 ARG A 74 14.185 3.940 0.426 1.00 0.99 H new ATOM 0 HG2 ARG A 74 14.916 5.219 -2.184 1.00 0.98 H new ATOM 0 HG3 ARG A 74 13.277 4.608 -2.082 1.00 0.98 H new ATOM 0 HD2 ARG A 74 12.963 6.731 -1.147 1.00 1.32 H new ATOM 0 HD3 ARG A 74 13.299 5.815 0.309 1.00 1.32 H new ATOM 0 HE ARG A 74 15.465 6.875 0.478 1.00 1.47 H new ATOM 0 HH11 ARG A 74 14.172 9.349 -0.460 1.00 3.04 H new ATOM 0 HH12 ARG A 74 15.115 9.792 -1.887 1.00 3.04 H new ATOM 0 HH21 ARG A 74 16.510 6.606 -2.257 1.00 1.83 H new ATOM 0 HH22 ARG A 74 16.429 8.252 -2.896 1.00 1.83 H new ATOM 1173 N ARG A 75 16.425 1.884 0.920 1.00 0.72 N ATOM 1174 CA ARG A 75 16.850 1.205 2.174 1.00 0.76 C ATOM 1175 C ARG A 75 18.373 1.105 2.186 1.00 1.16 C ATOM 1176 O ARG A 75 18.993 1.013 3.227 1.00 1.80 O ATOM 1177 CB ARG A 75 16.237 -0.193 2.229 1.00 0.92 C ATOM 1178 CG ARG A 75 15.574 -0.403 3.590 1.00 3.21 C ATOM 1179 CD ARG A 75 16.653 -0.482 4.670 1.00 4.98 C ATOM 1180 NE ARG A 75 16.408 0.566 5.699 1.00 6.50 N ATOM 1181 CZ ARG A 75 17.387 0.978 6.457 1.00 7.77 C ATOM 1182 NH1 ARG A 75 18.202 0.113 6.996 1.00 8.57 N ATOM 1183 NH2 ARG A 75 17.555 2.254 6.669 1.00 8.38 N ATOM 0 H ARG A 75 16.021 1.275 0.209 1.00 0.72 H new ATOM 0 HA ARG A 75 16.513 1.774 3.040 1.00 0.76 H new ATOM 0 HB2 ARG A 75 15.503 -0.312 1.432 1.00 0.92 H new ATOM 0 HB3 ARG A 75 17.008 -0.947 2.067 1.00 0.92 H new ATOM 0 HG2 ARG A 75 14.888 0.417 3.804 1.00 3.21 H new ATOM 0 HG3 ARG A 75 14.983 -1.319 3.582 1.00 3.21 H new ATOM 0 HD2 ARG A 75 16.647 -1.469 5.133 1.00 4.98 H new ATOM 0 HD3 ARG A 75 17.638 -0.345 4.224 1.00 4.98 H new ATOM 0 HE ARG A 75 15.475 0.962 5.811 1.00 6.50 H new ATOM 0 HH11 ARG A 75 18.073 -0.884 6.825 1.00 8.57 H new ATOM 0 HH12 ARG A 75 18.968 0.434 7.589 1.00 8.57 H new ATOM 0 HH21 ARG A 75 16.921 2.930 6.242 1.00 8.38 H new ATOM 0 HH22 ARG A 75 18.320 2.576 7.262 1.00 8.38 H new ATOM 1197 N LYS A 76 18.980 1.133 1.034 1.00 1.14 N ATOM 1198 CA LYS A 76 20.466 1.052 0.968 1.00 1.90 C ATOM 1199 C LYS A 76 20.953 -0.183 1.734 1.00 1.90 C ATOM 1200 O LYS A 76 20.989 -1.277 1.204 1.00 3.05 O ATOM 1201 CB LYS A 76 21.063 2.323 1.585 1.00 2.29 C ATOM 1202 CG LYS A 76 22.570 2.149 1.778 1.00 3.19 C ATOM 1203 CD LYS A 76 23.289 3.433 1.359 1.00 2.37 C ATOM 1204 CE LYS A 76 24.198 3.906 2.496 1.00 2.18 C ATOM 1205 NZ LYS A 76 24.561 5.335 2.279 1.00 3.33 N ATOM 0 H LYS A 76 18.510 1.209 0.132 1.00 1.14 H new ATOM 0 HA LYS A 76 20.785 0.967 -0.071 1.00 1.90 H new ATOM 0 HB2 LYS A 76 20.867 3.178 0.939 1.00 2.29 H new ATOM 0 HB3 LYS A 76 20.586 2.531 2.543 1.00 2.29 H new ATOM 0 HG2 LYS A 76 22.790 1.920 2.821 1.00 3.19 H new ATOM 0 HG3 LYS A 76 22.929 1.308 1.184 1.00 3.19 H new ATOM 0 HD2 LYS A 76 23.878 3.255 0.459 1.00 2.37 H new ATOM 0 HD3 LYS A 76 22.561 4.207 1.116 1.00 2.37 H new ATOM 0 HE2 LYS A 76 23.691 3.790 3.454 1.00 2.18 H new ATOM 0 HE3 LYS A 76 25.098 3.293 2.535 1.00 2.18 H new ATOM 0 HZ1 LYS A 76 25.179 5.657 3.051 1.00 3.33 H new ATOM 0 HZ2 LYS A 76 25.061 5.432 1.372 1.00 3.33 H new ATOM 0 HZ3 LYS A 76 23.697 5.914 2.262 1.00 3.33 H new ATOM 1219 N ARG A 77 21.332 -0.022 2.972 1.00 1.38 N ATOM 1220 CA ARG A 77 21.817 -1.190 3.762 1.00 1.21 C ATOM 1221 C ARG A 77 22.155 -0.734 5.180 1.00 1.10 C ATOM 1222 O ARG A 77 23.067 0.044 5.379 1.00 2.22 O ATOM 1223 CB ARG A 77 23.080 -1.763 3.112 1.00 1.30 C ATOM 1224 CG ARG A 77 24.109 -0.650 2.905 1.00 1.22 C ATOM 1225 CD ARG A 77 24.894 -0.912 1.617 1.00 1.39 C ATOM 1226 NE ARG A 77 25.846 -2.040 1.834 1.00 3.27 N ATOM 1227 CZ ARG A 77 27.078 -1.795 2.189 1.00 3.48 C ATOM 1228 NH1 ARG A 77 27.396 -0.627 2.673 1.00 3.55 N ATOM 1229 NH2 ARG A 77 27.990 -2.720 2.060 1.00 4.11 N ATOM 0 H ARG A 77 21.327 0.868 3.471 1.00 1.38 H new ATOM 0 HA ARG A 77 21.040 -1.954 3.790 1.00 1.21 H new ATOM 0 HB2 ARG A 77 23.501 -2.547 3.742 1.00 1.30 H new ATOM 0 HB3 ARG A 77 22.831 -2.223 2.156 1.00 1.30 H new ATOM 0 HG2 ARG A 77 23.608 0.316 2.848 1.00 1.22 H new ATOM 0 HG3 ARG A 77 24.789 -0.607 3.755 1.00 1.22 H new ATOM 0 HD2 ARG A 77 24.209 -1.152 0.804 1.00 1.39 H new ATOM 0 HD3 ARG A 77 25.438 -0.015 1.321 1.00 1.39 H new ATOM 0 HE ARG A 77 25.534 -3.003 1.705 1.00 3.27 H new ATOM 0 HH11 ARG A 77 26.682 0.095 2.774 1.00 3.55 H new ATOM 0 HH12 ARG A 77 28.358 -0.435 2.951 1.00 3.55 H new ATOM 0 HH21 ARG A 77 27.740 -3.634 1.682 1.00 4.11 H new ATOM 0 HH22 ARG A 77 28.953 -2.529 2.337 1.00 4.11 H new ATOM 1243 N LYS A 78 21.440 -1.196 6.173 1.00 0.52 N ATOM 1244 CA LYS A 78 21.767 -0.746 7.555 1.00 0.60 C ATOM 1245 C LYS A 78 20.711 -1.200 8.569 1.00 0.54 C ATOM 1246 O LYS A 78 20.235 -0.394 9.344 1.00 0.70 O ATOM 1247 CB LYS A 78 21.814 0.786 7.570 1.00 1.00 C ATOM 1248 CG LYS A 78 23.117 1.263 8.212 1.00 1.06 C ATOM 1249 CD LYS A 78 22.962 2.713 8.676 1.00 1.58 C ATOM 1250 CE LYS A 78 23.528 3.656 7.612 1.00 1.24 C ATOM 1251 NZ LYS A 78 25.001 3.788 7.799 1.00 2.56 N ATOM 0 H LYS A 78 20.662 -1.850 6.090 1.00 0.52 H new ATOM 0 HA LYS A 78 22.725 -1.184 7.835 1.00 0.60 H new ATOM 0 HB2 LYS A 78 21.738 1.170 6.553 1.00 1.00 H new ATOM 0 HB3 LYS A 78 20.961 1.179 8.124 1.00 1.00 H new ATOM 0 HG2 LYS A 78 23.371 0.625 9.059 1.00 1.06 H new ATOM 0 HG3 LYS A 78 23.936 1.185 7.497 1.00 1.06 H new ATOM 0 HD2 LYS A 78 21.910 2.938 8.854 1.00 1.58 H new ATOM 0 HD3 LYS A 78 23.484 2.861 9.622 1.00 1.58 H new ATOM 0 HE2 LYS A 78 23.310 3.271 6.616 1.00 1.24 H new ATOM 0 HE3 LYS A 78 23.052 4.634 7.687 1.00 1.24 H new ATOM 0 HZ1 LYS A 78 25.387 4.429 7.076 1.00 2.56 H new ATOM 0 HZ2 LYS A 78 25.198 4.174 8.744 1.00 2.56 H new ATOM 0 HZ3 LYS A 78 25.448 2.853 7.707 1.00 2.56 H new ATOM 1265 N LEU A 79 20.332 -2.455 8.623 1.00 0.40 N ATOM 1266 CA LEU A 79 19.313 -2.817 9.663 1.00 0.42 C ATOM 1267 C LEU A 79 19.861 -2.433 11.047 1.00 0.34 C ATOM 1268 O LEU A 79 21.054 -2.416 11.269 1.00 0.33 O ATOM 1269 CB LEU A 79 19.036 -4.318 9.615 1.00 0.43 C ATOM 1270 CG LEU A 79 18.861 -4.757 8.162 1.00 0.49 C ATOM 1271 CD1 LEU A 79 18.187 -6.130 8.120 1.00 2.02 C ATOM 1272 CD2 LEU A 79 17.986 -3.742 7.428 1.00 1.27 C ATOM 0 H LEU A 79 20.663 -3.212 8.025 1.00 0.40 H new ATOM 0 HA LEU A 79 18.383 -2.282 9.472 1.00 0.42 H new ATOM 0 HB2 LEU A 79 19.859 -4.865 10.075 1.00 0.43 H new ATOM 0 HB3 LEU A 79 18.138 -4.552 10.187 1.00 0.43 H new ATOM 0 HG LEU A 79 19.837 -4.816 7.681 1.00 0.49 H new ATOM 0 HD11 LEU A 79 18.062 -6.443 7.083 1.00 2.02 H new ATOM 0 HD12 LEU A 79 18.807 -6.856 8.646 1.00 2.02 H new ATOM 0 HD13 LEU A 79 17.211 -6.071 8.601 1.00 2.02 H new ATOM 0 HD21 LEU A 79 17.860 -4.053 6.391 1.00 1.27 H new ATOM 0 HD22 LEU A 79 17.011 -3.686 7.911 1.00 1.27 H new ATOM 0 HD23 LEU A 79 18.463 -2.762 7.457 1.00 1.27 H new ATOM 1284 N LEU A 80 19.000 -2.107 11.976 1.00 0.30 N ATOM 1285 CA LEU A 80 19.483 -1.715 13.337 1.00 0.26 C ATOM 1286 C LEU A 80 19.133 -2.814 14.349 1.00 0.34 C ATOM 1287 O LEU A 80 17.983 -3.057 14.633 1.00 0.52 O ATOM 1288 CB LEU A 80 18.806 -0.408 13.763 1.00 0.23 C ATOM 1289 CG LEU A 80 19.799 0.451 14.550 1.00 0.98 C ATOM 1290 CD1 LEU A 80 20.117 1.722 13.759 1.00 0.97 C ATOM 1291 CD2 LEU A 80 19.181 0.831 15.896 1.00 2.12 C ATOM 0 H LEU A 80 17.987 -2.095 11.854 1.00 0.30 H new ATOM 0 HA LEU A 80 20.564 -1.579 13.306 1.00 0.26 H new ATOM 0 HB2 LEU A 80 18.456 0.135 12.885 1.00 0.23 H new ATOM 0 HB3 LEU A 80 17.930 -0.623 14.375 1.00 0.23 H new ATOM 0 HG LEU A 80 20.718 -0.112 14.714 1.00 0.98 H new ATOM 0 HD11 LEU A 80 20.824 2.333 14.320 1.00 0.97 H new ATOM 0 HD12 LEU A 80 20.554 1.452 12.798 1.00 0.97 H new ATOM 0 HD13 LEU A 80 19.200 2.287 13.595 1.00 0.97 H new ATOM 0 HD21 LEU A 80 19.885 1.443 16.460 1.00 2.12 H new ATOM 0 HD22 LEU A 80 18.263 1.395 15.729 1.00 2.12 H new ATOM 0 HD23 LEU A 80 18.954 -0.073 16.460 1.00 2.12 H new ATOM 1303 N LEU A 81 20.115 -3.471 14.908 1.00 0.25 N ATOM 1304 CA LEU A 81 19.840 -4.532 15.904 1.00 0.34 C ATOM 1305 C LEU A 81 20.487 -4.164 17.209 1.00 0.29 C ATOM 1306 O LEU A 81 21.636 -3.768 17.238 1.00 0.24 O ATOM 1307 CB LEU A 81 20.483 -5.857 15.489 1.00 0.39 C ATOM 1308 CG LEU A 81 19.436 -6.968 15.522 1.00 0.85 C ATOM 1309 CD1 LEU A 81 20.118 -8.323 15.327 1.00 0.94 C ATOM 1310 CD2 LEU A 81 18.729 -6.941 16.875 1.00 1.08 C ATOM 0 H LEU A 81 21.103 -3.312 14.711 1.00 0.25 H new ATOM 0 HA LEU A 81 18.757 -4.632 15.982 1.00 0.34 H new ATOM 0 HB2 LEU A 81 20.904 -5.770 14.487 1.00 0.39 H new ATOM 0 HB3 LEU A 81 21.306 -6.099 16.161 1.00 0.39 H new ATOM 0 HG LEU A 81 18.711 -6.815 14.723 1.00 0.85 H new ATOM 0 HD11 LEU A 81 19.369 -9.114 15.351 1.00 0.94 H new ATOM 0 HD12 LEU A 81 20.630 -8.337 14.365 1.00 0.94 H new ATOM 0 HD13 LEU A 81 20.842 -8.484 16.126 1.00 0.94 H new ATOM 0 HD21 LEU A 81 17.979 -7.731 16.909 1.00 1.08 H new ATOM 0 HD22 LEU A 81 19.458 -7.098 17.670 1.00 1.08 H new ATOM 0 HD23 LEU A 81 18.245 -5.974 17.013 1.00 1.08 H new ATOM 1322 N HIS A 82 19.816 -4.383 18.290 1.00 0.45 N ATOM 1323 CA HIS A 82 20.492 -4.148 19.580 1.00 0.56 C ATOM 1324 C HIS A 82 21.776 -4.946 19.408 1.00 0.56 C ATOM 1325 O HIS A 82 21.750 -6.050 18.902 1.00 0.53 O ATOM 1326 CB HIS A 82 19.652 -4.672 20.751 1.00 0.77 C ATOM 1327 CG HIS A 82 19.013 -3.510 21.457 1.00 1.01 C ATOM 1328 ND1 HIS A 82 17.842 -3.639 22.186 1.00 1.56 N ATOM 1329 CD2 HIS A 82 19.363 -2.186 21.539 1.00 0.92 C ATOM 1330 CE1 HIS A 82 17.530 -2.422 22.668 1.00 1.62 C ATOM 1331 NE2 HIS A 82 18.425 -1.500 22.304 1.00 1.20 N ATOM 0 H HIS A 82 18.850 -4.707 18.340 1.00 0.45 H new ATOM 0 HA HIS A 82 20.658 -3.096 19.810 1.00 0.56 H new ATOM 0 HB2 HIS A 82 18.887 -5.358 20.387 1.00 0.77 H new ATOM 0 HB3 HIS A 82 20.280 -5.233 21.443 1.00 0.77 H new ATOM 0 HD2 HIS A 82 20.234 -1.743 21.079 1.00 0.92 H new ATOM 0 HE1 HIS A 82 16.661 -2.216 23.276 1.00 1.62 H new ATOM 0 HE2 HIS A 82 18.422 -0.507 22.537 1.00 1.20 H new ATOM 1339 N LYS A 83 22.895 -4.383 19.689 1.00 0.68 N ATOM 1340 CA LYS A 83 24.152 -5.109 19.377 1.00 0.81 C ATOM 1341 C LYS A 83 24.236 -6.472 20.066 1.00 0.98 C ATOM 1342 O LYS A 83 24.669 -7.435 19.464 1.00 0.98 O ATOM 1343 CB LYS A 83 25.336 -4.258 19.811 1.00 1.03 C ATOM 1344 CG LYS A 83 26.604 -5.098 19.742 1.00 0.71 C ATOM 1345 CD LYS A 83 27.039 -5.498 21.156 1.00 1.11 C ATOM 1346 CE LYS A 83 28.518 -5.152 21.346 1.00 1.02 C ATOM 1347 NZ LYS A 83 28.848 -5.138 22.800 1.00 1.55 N ATOM 0 H LYS A 83 23.006 -3.463 20.116 1.00 0.68 H new ATOM 0 HA LYS A 83 24.167 -5.288 18.302 1.00 0.81 H new ATOM 0 HB2 LYS A 83 25.428 -3.384 19.166 1.00 1.03 H new ATOM 0 HB3 LYS A 83 25.183 -3.890 20.826 1.00 1.03 H new ATOM 0 HG2 LYS A 83 26.428 -5.989 19.140 1.00 0.71 H new ATOM 0 HG3 LYS A 83 27.398 -4.534 19.253 1.00 0.71 H new ATOM 0 HD2 LYS A 83 26.433 -4.976 21.897 1.00 1.11 H new ATOM 0 HD3 LYS A 83 26.881 -6.565 21.310 1.00 1.11 H new ATOM 0 HE2 LYS A 83 29.141 -5.881 20.829 1.00 1.02 H new ATOM 0 HE3 LYS A 83 28.733 -4.179 20.905 1.00 1.02 H new ATOM 0 HZ1 LYS A 83 29.853 -4.903 22.926 1.00 1.55 H new ATOM 0 HZ2 LYS A 83 28.263 -4.426 23.282 1.00 1.55 H new ATOM 0 HZ3 LYS A 83 28.658 -6.076 23.208 1.00 1.55 H new ATOM 1361 N HIS A 84 23.849 -6.594 21.299 1.00 1.20 N ATOM 1362 CA HIS A 84 23.953 -7.934 21.938 1.00 1.47 C ATOM 1363 C HIS A 84 23.161 -8.928 21.085 1.00 1.31 C ATOM 1364 O HIS A 84 23.484 -10.096 20.997 1.00 1.40 O ATOM 1365 CB HIS A 84 23.379 -7.881 23.356 1.00 1.75 C ATOM 1366 CG HIS A 84 24.375 -8.469 24.317 1.00 1.84 C ATOM 1367 ND1 HIS A 84 24.493 -8.025 25.624 1.00 2.63 N ATOM 1368 CD2 HIS A 84 25.300 -9.474 24.178 1.00 1.79 C ATOM 1369 CE1 HIS A 84 25.457 -8.755 26.215 1.00 2.51 C ATOM 1370 NE2 HIS A 84 25.983 -9.653 25.378 1.00 2.15 N ATOM 0 H HIS A 84 23.474 -5.847 21.883 1.00 1.20 H new ATOM 0 HA HIS A 84 24.996 -8.244 22.003 1.00 1.47 H new ATOM 0 HB2 HIS A 84 23.155 -6.851 23.632 1.00 1.75 H new ATOM 0 HB3 HIS A 84 22.441 -8.435 23.402 1.00 1.75 H new ATOM 0 HD2 HIS A 84 25.472 -10.040 23.274 1.00 1.79 H new ATOM 0 HE1 HIS A 84 25.768 -8.630 27.242 1.00 2.51 H new ATOM 0 HE2 HIS A 84 26.725 -10.325 25.575 1.00 2.15 H new ATOM 1378 N GLU A 85 22.132 -8.453 20.444 1.00 1.12 N ATOM 1379 CA GLU A 85 21.299 -9.327 19.569 1.00 1.04 C ATOM 1380 C GLU A 85 22.054 -9.667 18.281 1.00 0.80 C ATOM 1381 O GLU A 85 21.891 -10.729 17.714 1.00 0.78 O ATOM 1382 CB GLU A 85 20.021 -8.579 19.191 1.00 1.01 C ATOM 1383 CG GLU A 85 19.434 -7.928 20.444 1.00 1.28 C ATOM 1384 CD GLU A 85 17.910 -7.856 20.327 1.00 1.41 C ATOM 1385 OE1 GLU A 85 17.312 -8.865 19.989 1.00 1.78 O ATOM 1386 OE2 GLU A 85 17.366 -6.793 20.579 1.00 2.44 O ATOM 0 H GLU A 85 21.827 -7.481 20.489 1.00 1.12 H new ATOM 0 HA GLU A 85 21.067 -10.245 20.109 1.00 1.04 H new ATOM 0 HB2 GLU A 85 20.238 -7.820 18.439 1.00 1.01 H new ATOM 0 HB3 GLU A 85 19.299 -9.267 18.751 1.00 1.01 H new ATOM 0 HG2 GLU A 85 19.713 -8.502 21.328 1.00 1.28 H new ATOM 0 HG3 GLU A 85 19.846 -6.927 20.571 1.00 1.28 H new ATOM 1393 N LEU A 86 22.829 -8.742 17.788 1.00 0.65 N ATOM 1394 CA LEU A 86 23.547 -8.961 16.498 1.00 0.49 C ATOM 1395 C LEU A 86 24.474 -10.189 16.553 1.00 0.46 C ATOM 1396 O LEU A 86 24.448 -11.024 15.671 1.00 0.48 O ATOM 1397 CB LEU A 86 24.367 -7.698 16.211 1.00 0.51 C ATOM 1398 CG LEU A 86 25.434 -7.986 15.156 1.00 0.56 C ATOM 1399 CD1 LEU A 86 24.850 -8.858 14.043 1.00 1.08 C ATOM 1400 CD2 LEU A 86 25.911 -6.661 14.563 1.00 0.93 C ATOM 0 H LEU A 86 22.998 -7.836 18.226 1.00 0.65 H new ATOM 0 HA LEU A 86 22.820 -9.153 15.708 1.00 0.49 H new ATOM 0 HB2 LEU A 86 23.710 -6.900 15.865 1.00 0.51 H new ATOM 0 HB3 LEU A 86 24.839 -7.346 17.129 1.00 0.51 H new ATOM 0 HG LEU A 86 26.268 -8.514 15.618 1.00 0.56 H new ATOM 0 HD11 LEU A 86 25.618 -9.058 13.296 1.00 1.08 H new ATOM 0 HD12 LEU A 86 24.500 -9.800 14.465 1.00 1.08 H new ATOM 0 HD13 LEU A 86 24.015 -8.338 13.574 1.00 1.08 H new ATOM 0 HD21 LEU A 86 26.673 -6.854 13.808 1.00 0.93 H new ATOM 0 HD22 LEU A 86 25.069 -6.144 14.104 1.00 0.93 H new ATOM 0 HD23 LEU A 86 26.332 -6.039 15.353 1.00 0.93 H new ATOM 1412 N ARG A 87 25.300 -10.308 17.555 1.00 0.61 N ATOM 1413 CA ARG A 87 26.228 -11.483 17.620 1.00 0.76 C ATOM 1414 C ARG A 87 25.513 -12.791 18.017 1.00 0.64 C ATOM 1415 O ARG A 87 25.966 -13.864 17.675 1.00 0.67 O ATOM 1416 CB ARG A 87 27.338 -11.209 18.637 1.00 1.13 C ATOM 1417 CG ARG A 87 28.045 -12.525 18.984 1.00 0.89 C ATOM 1418 CD ARG A 87 29.227 -12.250 19.914 1.00 1.18 C ATOM 1419 NE ARG A 87 28.742 -11.578 21.152 1.00 1.70 N ATOM 1420 CZ ARG A 87 29.554 -10.832 21.849 1.00 2.51 C ATOM 1421 NH1 ARG A 87 30.605 -11.363 22.414 1.00 3.10 N ATOM 1422 NH2 ARG A 87 29.318 -9.554 21.978 1.00 3.83 N ATOM 0 H ARG A 87 25.376 -9.649 18.330 1.00 0.61 H new ATOM 0 HA ARG A 87 26.636 -11.614 16.618 1.00 0.76 H new ATOM 0 HB2 ARG A 87 28.053 -10.496 18.228 1.00 1.13 H new ATOM 0 HB3 ARG A 87 26.919 -10.760 19.537 1.00 1.13 H new ATOM 0 HG2 ARG A 87 27.345 -13.209 19.464 1.00 0.89 H new ATOM 0 HG3 ARG A 87 28.393 -13.012 18.073 1.00 0.89 H new ATOM 0 HD2 ARG A 87 29.728 -13.184 20.168 1.00 1.18 H new ATOM 0 HD3 ARG A 87 29.961 -11.621 19.410 1.00 1.18 H new ATOM 0 HE ARG A 87 27.776 -11.701 21.454 1.00 1.70 H new ATOM 0 HH11 ARG A 87 30.791 -12.361 22.310 1.00 3.10 H new ATOM 0 HH12 ARG A 87 31.240 -10.780 22.959 1.00 3.10 H new ATOM 0 HH21 ARG A 87 28.499 -9.139 21.534 1.00 3.83 H new ATOM 0 HH22 ARG A 87 29.953 -8.971 22.523 1.00 3.83 H new ATOM 1436 N ARG A 88 24.468 -12.738 18.802 1.00 0.59 N ATOM 1437 CA ARG A 88 23.824 -14.013 19.269 1.00 0.55 C ATOM 1438 C ARG A 88 23.144 -14.815 18.139 1.00 0.34 C ATOM 1439 O ARG A 88 23.337 -16.009 18.034 1.00 0.30 O ATOM 1440 CB ARG A 88 22.778 -13.683 20.335 1.00 0.68 C ATOM 1441 CG ARG A 88 23.431 -13.682 21.718 1.00 2.37 C ATOM 1442 CD ARG A 88 22.339 -13.694 22.791 1.00 1.47 C ATOM 1443 NE ARG A 88 22.502 -14.891 23.664 1.00 1.83 N ATOM 1444 CZ ARG A 88 21.460 -15.416 24.250 1.00 0.97 C ATOM 1445 NH1 ARG A 88 20.775 -14.716 25.112 1.00 1.32 N ATOM 1446 NH2 ARG A 88 21.101 -16.640 23.973 1.00 1.44 N ATOM 0 H ARG A 88 24.033 -11.879 19.140 1.00 0.59 H new ATOM 0 HA ARG A 88 24.623 -14.639 19.666 1.00 0.55 H new ATOM 0 HB2 ARG A 88 22.333 -12.709 20.132 1.00 0.68 H new ATOM 0 HB3 ARG A 88 21.971 -14.415 20.304 1.00 0.68 H new ATOM 0 HG2 ARG A 88 24.076 -14.553 21.829 1.00 2.37 H new ATOM 0 HG3 ARG A 88 24.062 -12.801 21.835 1.00 2.37 H new ATOM 0 HD2 ARG A 88 22.395 -12.785 23.390 1.00 1.47 H new ATOM 0 HD3 ARG A 88 21.355 -13.706 22.322 1.00 1.47 H new ATOM 0 HE ARG A 88 23.426 -15.299 23.803 1.00 1.83 H new ATOM 0 HH11 ARG A 88 21.054 -13.759 25.328 1.00 1.32 H new ATOM 0 HH12 ARG A 88 19.961 -15.126 25.570 1.00 1.32 H new ATOM 0 HH21 ARG A 88 21.635 -17.188 23.298 1.00 1.44 H new ATOM 0 HH22 ARG A 88 20.287 -17.049 24.432 1.00 1.44 H new ATOM 1460 N LEU A 89 22.337 -14.203 17.314 1.00 0.21 N ATOM 1461 CA LEU A 89 21.651 -14.994 16.236 1.00 0.14 C ATOM 1462 C LEU A 89 22.641 -15.304 15.114 1.00 0.12 C ATOM 1463 O LEU A 89 22.739 -16.419 14.643 1.00 0.16 O ATOM 1464 CB LEU A 89 20.467 -14.178 15.709 1.00 0.31 C ATOM 1465 CG LEU A 89 20.188 -14.432 14.217 1.00 0.61 C ATOM 1466 CD1 LEU A 89 21.228 -13.724 13.346 1.00 0.69 C ATOM 1467 CD2 LEU A 89 20.207 -15.932 13.929 1.00 0.72 C ATOM 0 H LEU A 89 22.122 -13.206 17.333 1.00 0.21 H new ATOM 0 HA LEU A 89 21.285 -15.940 16.635 1.00 0.14 H new ATOM 0 HB2 LEU A 89 19.576 -14.422 16.288 1.00 0.31 H new ATOM 0 HB3 LEU A 89 20.665 -13.117 15.862 1.00 0.31 H new ATOM 0 HG LEU A 89 19.202 -14.032 13.978 1.00 0.61 H new ATOM 0 HD11 LEU A 89 21.013 -13.916 12.295 1.00 0.69 H new ATOM 0 HD12 LEU A 89 21.190 -12.651 13.534 1.00 0.69 H new ATOM 0 HD13 LEU A 89 22.222 -14.100 13.588 1.00 0.69 H new ATOM 0 HD21 LEU A 89 20.009 -16.102 12.871 1.00 0.72 H new ATOM 0 HD22 LEU A 89 21.185 -16.339 14.185 1.00 0.72 H new ATOM 0 HD23 LEU A 89 19.441 -16.427 14.526 1.00 0.72 H new ATOM 1479 N LEU A 90 23.386 -14.324 14.701 1.00 0.31 N ATOM 1480 CA LEU A 90 24.386 -14.532 13.625 1.00 0.48 C ATOM 1481 C LEU A 90 25.471 -15.444 14.187 1.00 0.43 C ATOM 1482 O LEU A 90 26.084 -16.219 13.493 1.00 0.44 O ATOM 1483 CB LEU A 90 24.933 -13.151 13.183 1.00 0.66 C ATOM 1484 CG LEU A 90 26.448 -13.184 12.917 1.00 0.21 C ATOM 1485 CD1 LEU A 90 27.215 -13.348 14.234 1.00 0.59 C ATOM 1486 CD2 LEU A 90 26.788 -14.331 11.967 1.00 0.28 C ATOM 0 H LEU A 90 23.344 -13.374 15.069 1.00 0.31 H new ATOM 0 HA LEU A 90 23.959 -15.006 12.741 1.00 0.48 H new ATOM 0 HB2 LEU A 90 24.414 -12.829 12.280 1.00 0.66 H new ATOM 0 HB3 LEU A 90 24.717 -12.413 13.955 1.00 0.66 H new ATOM 0 HG LEU A 90 26.743 -12.242 12.455 1.00 0.21 H new ATOM 0 HD11 LEU A 90 28.286 -13.370 14.031 1.00 0.59 H new ATOM 0 HD12 LEU A 90 26.988 -12.511 14.894 1.00 0.59 H new ATOM 0 HD13 LEU A 90 26.918 -14.280 14.715 1.00 0.59 H new ATOM 0 HD21 LEU A 90 27.863 -14.346 11.785 1.00 0.28 H new ATOM 0 HD22 LEU A 90 26.482 -15.277 12.414 1.00 0.28 H new ATOM 0 HD23 LEU A 90 26.262 -14.190 11.023 1.00 0.28 H new ATOM 1498 N GLY A 91 25.714 -15.335 15.453 1.00 0.42 N ATOM 1499 CA GLY A 91 26.767 -16.164 16.094 1.00 0.40 C ATOM 1500 C GLY A 91 26.490 -17.668 15.932 1.00 0.26 C ATOM 1501 O GLY A 91 27.391 -18.469 16.078 1.00 0.25 O ATOM 0 H GLY A 91 25.224 -14.700 16.083 1.00 0.42 H new ATOM 0 HA2 GLY A 91 27.735 -15.924 15.655 1.00 0.40 H new ATOM 0 HA3 GLY A 91 26.828 -15.918 17.154 1.00 0.40 H new ATOM 1505 N LYS A 92 25.278 -18.091 15.649 1.00 0.22 N ATOM 1506 CA LYS A 92 25.056 -19.560 15.516 1.00 0.30 C ATOM 1507 C LYS A 92 25.499 -20.042 14.128 1.00 0.36 C ATOM 1508 O LYS A 92 25.985 -21.145 13.976 1.00 0.52 O ATOM 1509 CB LYS A 92 23.576 -19.885 15.729 1.00 0.28 C ATOM 1510 CG LYS A 92 23.314 -20.154 17.213 1.00 0.32 C ATOM 1511 CD LYS A 92 24.289 -21.215 17.727 1.00 1.27 C ATOM 1512 CE LYS A 92 24.480 -22.289 16.656 1.00 0.84 C ATOM 1513 NZ LYS A 92 24.952 -23.546 17.299 1.00 1.62 N ATOM 0 H LYS A 92 24.459 -17.500 15.509 1.00 0.22 H new ATOM 0 HA LYS A 92 25.649 -20.073 16.273 1.00 0.30 H new ATOM 0 HB2 LYS A 92 22.959 -19.055 15.386 1.00 0.28 H new ATOM 0 HB3 LYS A 92 23.296 -20.756 15.137 1.00 0.28 H new ATOM 0 HG2 LYS A 92 23.429 -19.233 17.785 1.00 0.32 H new ATOM 0 HG3 LYS A 92 22.287 -20.491 17.355 1.00 0.32 H new ATOM 0 HD2 LYS A 92 25.247 -20.756 17.973 1.00 1.27 H new ATOM 0 HD3 LYS A 92 23.906 -21.664 18.644 1.00 1.27 H new ATOM 0 HE2 LYS A 92 23.542 -22.466 16.130 1.00 0.84 H new ATOM 0 HE3 LYS A 92 25.203 -21.953 15.913 1.00 0.84 H new ATOM 0 HZ1 LYS A 92 25.083 -24.279 16.573 1.00 1.62 H new ATOM 0 HZ2 LYS A 92 25.857 -23.371 17.781 1.00 1.62 H new ATOM 0 HZ3 LYS A 92 24.247 -23.867 17.992 1.00 1.62 H new ATOM 1527 N VAL A 93 25.328 -19.238 13.114 1.00 0.32 N ATOM 1528 CA VAL A 93 25.726 -19.663 11.747 1.00 0.50 C ATOM 1529 C VAL A 93 27.226 -19.921 11.664 1.00 0.59 C ATOM 1530 O VAL A 93 27.712 -20.618 10.796 1.00 0.59 O ATOM 1531 CB VAL A 93 25.407 -18.552 10.776 1.00 0.55 C ATOM 1532 CG1 VAL A 93 23.903 -18.310 10.732 1.00 0.41 C ATOM 1533 CG2 VAL A 93 26.118 -17.273 11.200 1.00 0.73 C ATOM 0 H VAL A 93 24.928 -18.302 13.177 1.00 0.32 H new ATOM 0 HA VAL A 93 25.184 -20.578 11.508 1.00 0.50 H new ATOM 0 HB VAL A 93 25.750 -18.844 9.783 1.00 0.55 H new ATOM 0 HG11 VAL A 93 23.684 -17.507 10.029 1.00 0.41 H new ATOM 0 HG12 VAL A 93 23.397 -19.221 10.412 1.00 0.41 H new ATOM 0 HG13 VAL A 93 23.550 -18.029 11.724 1.00 0.41 H new ATOM 0 HG21 VAL A 93 25.883 -16.475 10.495 1.00 0.73 H new ATOM 0 HG22 VAL A 93 25.785 -16.985 12.197 1.00 0.73 H new ATOM 0 HG23 VAL A 93 27.195 -17.442 11.212 1.00 0.73 H new ATOM 1543 N GLU A 94 27.956 -19.328 12.538 1.00 0.65 N ATOM 1544 CA GLU A 94 29.440 -19.479 12.515 1.00 0.73 C ATOM 1545 C GLU A 94 29.833 -20.963 12.519 1.00 0.69 C ATOM 1546 O GLU A 94 30.959 -21.308 12.215 1.00 0.71 O ATOM 1547 CB GLU A 94 30.031 -18.798 13.752 1.00 0.85 C ATOM 1548 CG GLU A 94 30.356 -17.338 13.429 1.00 1.49 C ATOM 1549 CD GLU A 94 31.366 -17.277 12.281 1.00 1.86 C ATOM 1550 OE1 GLU A 94 32.530 -17.545 12.529 1.00 1.74 O ATOM 1551 OE2 GLU A 94 30.958 -16.963 11.176 1.00 3.64 O ATOM 0 H GLU A 94 27.596 -18.733 13.284 1.00 0.65 H new ATOM 0 HA GLU A 94 29.828 -19.017 11.607 1.00 0.73 H new ATOM 0 HB2 GLU A 94 29.324 -18.849 14.580 1.00 0.85 H new ATOM 0 HB3 GLU A 94 30.933 -19.320 14.071 1.00 0.85 H new ATOM 0 HG2 GLU A 94 29.446 -16.805 13.154 1.00 1.49 H new ATOM 0 HG3 GLU A 94 30.762 -16.842 14.311 1.00 1.49 H new ATOM 1558 N GLN A 95 28.925 -21.846 12.839 1.00 0.64 N ATOM 1559 CA GLN A 95 29.275 -23.295 12.833 1.00 0.60 C ATOM 1560 C GLN A 95 30.041 -23.618 11.545 1.00 0.53 C ATOM 1561 O GLN A 95 31.247 -23.762 11.551 1.00 0.68 O ATOM 1562 CB GLN A 95 27.993 -24.131 12.895 1.00 0.57 C ATOM 1563 CG GLN A 95 28.352 -25.613 13.037 1.00 1.77 C ATOM 1564 CD GLN A 95 28.150 -26.319 11.695 1.00 2.75 C ATOM 1565 OE1 GLN A 95 29.123 -27.029 11.194 1.00 3.76 O flip ATOM 1566 NE2 GLN A 95 27.099 -26.220 11.095 1.00 4.01 N flip ATOM 0 H GLN A 95 27.964 -21.629 13.102 1.00 0.64 H new ATOM 0 HA GLN A 95 29.896 -23.529 13.697 1.00 0.60 H new ATOM 0 HB2 GLN A 95 27.380 -23.813 13.738 1.00 0.57 H new ATOM 0 HB3 GLN A 95 27.401 -23.975 11.993 1.00 0.57 H new ATOM 0 HG2 GLN A 95 29.387 -25.718 13.363 1.00 1.77 H new ATOM 0 HG3 GLN A 95 27.729 -26.077 13.801 1.00 1.77 H new ATOM 0 HE21 GLN A 95 26.338 -25.665 11.487 1.00 4.01 H new ATOM 0 HE22 GLN A 95 26.977 -26.692 10.199 1.00 4.01 H new ATOM 1575 N LYS A 96 29.348 -23.723 10.438 1.00 0.35 N ATOM 1576 CA LYS A 96 30.030 -24.025 9.144 1.00 0.39 C ATOM 1577 C LYS A 96 28.981 -24.408 8.095 1.00 0.43 C ATOM 1578 O LYS A 96 28.462 -25.507 8.095 1.00 0.62 O ATOM 1579 CB LYS A 96 31.015 -25.182 9.335 1.00 0.45 C ATOM 1580 CG LYS A 96 31.473 -25.696 7.969 1.00 0.25 C ATOM 1581 CD LYS A 96 32.559 -26.756 8.161 1.00 0.36 C ATOM 1582 CE LYS A 96 33.873 -26.076 8.555 1.00 0.67 C ATOM 1583 NZ LYS A 96 34.896 -27.116 8.864 1.00 0.80 N ATOM 0 H LYS A 96 28.336 -23.612 10.376 1.00 0.35 H new ATOM 0 HA LYS A 96 30.576 -23.144 8.808 1.00 0.39 H new ATOM 0 HB2 LYS A 96 31.875 -24.849 9.917 1.00 0.45 H new ATOM 0 HB3 LYS A 96 30.542 -25.987 9.898 1.00 0.45 H new ATOM 0 HG2 LYS A 96 30.628 -26.120 7.426 1.00 0.25 H new ATOM 0 HG3 LYS A 96 31.857 -24.871 7.368 1.00 0.25 H new ATOM 0 HD2 LYS A 96 32.258 -27.464 8.933 1.00 0.36 H new ATOM 0 HD3 LYS A 96 32.693 -27.325 7.241 1.00 0.36 H new ATOM 0 HE2 LYS A 96 34.222 -25.437 7.744 1.00 0.67 H new ATOM 0 HE3 LYS A 96 33.717 -25.434 9.422 1.00 0.67 H new ATOM 0 HZ1 LYS A 96 35.789 -26.656 9.132 1.00 0.80 H new ATOM 0 HZ2 LYS A 96 34.562 -27.708 9.651 1.00 0.80 H new ATOM 0 HZ3 LYS A 96 35.051 -27.711 8.025 1.00 0.80 H new ATOM 1597 N GLY A 97 28.663 -23.506 7.203 1.00 0.37 N ATOM 1598 CA GLY A 97 27.642 -23.812 6.156 1.00 0.39 C ATOM 1599 C GLY A 97 26.308 -23.164 6.539 1.00 0.32 C ATOM 1600 O GLY A 97 25.260 -23.542 6.057 1.00 0.35 O ATOM 0 H GLY A 97 29.066 -22.570 7.154 1.00 0.37 H new ATOM 0 HA2 GLY A 97 27.975 -23.438 5.188 1.00 0.39 H new ATOM 0 HA3 GLY A 97 27.519 -24.891 6.057 1.00 0.39 H new ATOM 1604 N LEU A 98 26.345 -22.193 7.411 1.00 0.35 N ATOM 1605 CA LEU A 98 25.087 -21.517 7.843 1.00 0.29 C ATOM 1606 C LEU A 98 25.063 -20.077 7.333 1.00 0.33 C ATOM 1607 O LEU A 98 26.093 -19.460 7.141 1.00 0.41 O ATOM 1608 CB LEU A 98 25.034 -21.445 9.364 1.00 0.28 C ATOM 1609 CG LEU A 98 24.571 -22.769 9.945 1.00 0.26 C ATOM 1610 CD1 LEU A 98 25.187 -23.924 9.150 1.00 0.19 C ATOM 1611 CD2 LEU A 98 25.008 -22.870 11.408 1.00 0.36 C ATOM 0 H LEU A 98 27.197 -21.837 7.845 1.00 0.35 H new ATOM 0 HA LEU A 98 24.247 -22.086 7.445 1.00 0.29 H new ATOM 0 HB2 LEU A 98 26.020 -21.194 9.756 1.00 0.28 H new ATOM 0 HB3 LEU A 98 24.356 -20.649 9.673 1.00 0.28 H new ATOM 0 HG LEU A 98 23.484 -22.826 9.886 1.00 0.26 H new ATOM 0 HD11 LEU A 98 24.853 -24.873 9.569 1.00 0.19 H new ATOM 0 HD12 LEU A 98 24.873 -23.857 8.108 1.00 0.19 H new ATOM 0 HD13 LEU A 98 26.274 -23.865 9.206 1.00 0.19 H new ATOM 0 HD21 LEU A 98 24.674 -23.821 11.823 1.00 0.36 H new ATOM 0 HD22 LEU A 98 26.095 -22.809 11.468 1.00 0.36 H new ATOM 0 HD23 LEU A 98 24.567 -22.052 11.977 1.00 0.36 H new ATOM 1623 N THR A 99 23.899 -19.516 7.148 1.00 0.30 N ATOM 1624 CA THR A 99 23.841 -18.092 6.698 1.00 0.33 C ATOM 1625 C THR A 99 22.881 -17.314 7.588 1.00 0.32 C ATOM 1626 O THR A 99 21.875 -17.833 8.029 1.00 0.66 O ATOM 1627 CB THR A 99 23.339 -17.998 5.253 1.00 0.43 C ATOM 1628 OG1 THR A 99 23.297 -19.295 4.677 1.00 0.95 O ATOM 1629 CG2 THR A 99 24.285 -17.100 4.452 1.00 0.77 C ATOM 0 H THR A 99 22.997 -19.972 7.286 1.00 0.30 H new ATOM 0 HA THR A 99 24.846 -17.676 6.761 1.00 0.33 H new ATOM 0 HB THR A 99 22.335 -17.573 5.238 1.00 0.43 H new ATOM 0 HG1 THR A 99 22.974 -19.233 3.754 1.00 0.95 H new ATOM 0 HG21 THR A 99 23.934 -17.028 3.423 1.00 0.77 H new ATOM 0 HG22 THR A 99 24.307 -16.106 4.898 1.00 0.77 H new ATOM 0 HG23 THR A 99 25.288 -17.526 4.465 1.00 0.77 H new ATOM 1637 N LEU A 100 23.138 -16.055 7.801 1.00 0.77 N ATOM 1638 CA LEU A 100 22.200 -15.251 8.585 1.00 0.75 C ATOM 1639 C LEU A 100 21.564 -14.310 7.586 1.00 0.70 C ATOM 1640 O LEU A 100 22.224 -13.619 6.836 1.00 0.85 O ATOM 1641 CB LEU A 100 22.886 -14.461 9.724 1.00 1.02 C ATOM 1642 CG LEU A 100 24.343 -14.091 9.408 1.00 1.05 C ATOM 1643 CD1 LEU A 100 25.205 -15.336 9.251 1.00 2.83 C ATOM 1644 CD2 LEU A 100 24.407 -13.245 8.140 1.00 1.55 C ATOM 0 H LEU A 100 23.962 -15.559 7.460 1.00 0.77 H new ATOM 0 HA LEU A 100 21.473 -15.889 9.088 1.00 0.75 H new ATOM 0 HB2 LEU A 100 22.320 -13.550 9.918 1.00 1.02 H new ATOM 0 HB3 LEU A 100 22.858 -15.055 10.638 1.00 1.02 H new ATOM 0 HG LEU A 100 24.734 -13.512 10.245 1.00 1.05 H new ATOM 0 HD11 LEU A 100 26.231 -15.043 9.028 1.00 2.83 H new ATOM 0 HD12 LEU A 100 25.185 -15.911 10.177 1.00 2.83 H new ATOM 0 HD13 LEU A 100 24.817 -15.947 8.436 1.00 2.83 H new ATOM 0 HD21 LEU A 100 25.445 -12.989 7.926 1.00 1.55 H new ATOM 0 HD22 LEU A 100 23.993 -13.810 7.305 1.00 1.55 H new ATOM 0 HD23 LEU A 100 23.830 -12.332 8.282 1.00 1.55 H new ATOM 1656 N VAL A 101 20.289 -14.328 7.545 1.00 0.55 N ATOM 1657 CA VAL A 101 19.556 -13.488 6.570 1.00 0.54 C ATOM 1658 C VAL A 101 18.256 -12.946 7.186 1.00 0.41 C ATOM 1659 O VAL A 101 17.463 -13.703 7.701 1.00 0.46 O ATOM 1660 CB VAL A 101 19.213 -14.375 5.371 1.00 0.59 C ATOM 1661 CG1 VAL A 101 18.278 -15.494 5.833 1.00 0.84 C ATOM 1662 CG2 VAL A 101 18.522 -13.542 4.291 1.00 0.51 C ATOM 0 H VAL A 101 19.699 -14.896 8.153 1.00 0.55 H new ATOM 0 HA VAL A 101 20.171 -12.638 6.275 1.00 0.54 H new ATOM 0 HB VAL A 101 20.127 -14.803 4.958 1.00 0.59 H new ATOM 0 HG11 VAL A 101 18.027 -16.132 4.985 1.00 0.84 H new ATOM 0 HG12 VAL A 101 18.773 -16.088 6.601 1.00 0.84 H new ATOM 0 HG13 VAL A 101 17.366 -15.060 6.243 1.00 0.84 H new ATOM 0 HG21 VAL A 101 18.280 -14.178 3.440 1.00 0.51 H new ATOM 0 HG22 VAL A 101 17.605 -13.112 4.694 1.00 0.51 H new ATOM 0 HG23 VAL A 101 19.187 -12.741 3.968 1.00 0.51 H new ATOM 1672 N PRO A 102 18.041 -11.664 7.061 1.00 0.47 N ATOM 1673 CA PRO A 102 16.804 -11.034 7.557 1.00 0.44 C ATOM 1674 C PRO A 102 15.672 -11.525 6.638 1.00 0.69 C ATOM 1675 O PRO A 102 15.440 -10.976 5.579 1.00 1.56 O ATOM 1676 CB PRO A 102 17.077 -9.534 7.401 1.00 0.49 C ATOM 1677 CG PRO A 102 18.198 -9.415 6.345 1.00 0.63 C ATOM 1678 CD PRO A 102 18.974 -10.740 6.395 1.00 0.71 C ATOM 0 HA PRO A 102 16.525 -11.265 8.585 1.00 0.44 H new ATOM 0 HB2 PRO A 102 16.180 -9.005 7.079 1.00 0.49 H new ATOM 0 HB3 PRO A 102 17.385 -9.092 8.349 1.00 0.49 H new ATOM 0 HG2 PRO A 102 17.781 -9.245 5.352 1.00 0.63 H new ATOM 0 HG3 PRO A 102 18.853 -8.572 6.565 1.00 0.63 H new ATOM 0 HD2 PRO A 102 19.238 -11.088 5.396 1.00 0.71 H new ATOM 0 HD3 PRO A 102 19.905 -10.639 6.953 1.00 0.71 H new ATOM 1686 N LEU A 103 15.029 -12.610 6.995 1.00 0.20 N ATOM 1687 CA LEU A 103 13.981 -13.202 6.095 1.00 0.17 C ATOM 1688 C LEU A 103 12.720 -12.347 5.988 1.00 0.25 C ATOM 1689 O LEU A 103 12.073 -12.353 4.968 1.00 0.36 O ATOM 1690 CB LEU A 103 13.579 -14.606 6.577 1.00 0.40 C ATOM 1691 CG LEU A 103 14.682 -15.225 7.432 1.00 0.78 C ATOM 1692 CD1 LEU A 103 14.367 -14.982 8.906 1.00 0.93 C ATOM 1693 CD2 LEU A 103 14.746 -16.731 7.171 1.00 1.27 C ATOM 0 H LEU A 103 15.182 -13.113 7.869 1.00 0.20 H new ATOM 0 HA LEU A 103 14.438 -13.250 5.107 1.00 0.17 H new ATOM 0 HB2 LEU A 103 12.656 -14.546 7.154 1.00 0.40 H new ATOM 0 HB3 LEU A 103 13.377 -15.246 5.718 1.00 0.40 H new ATOM 0 HG LEU A 103 15.640 -14.771 7.178 1.00 0.78 H new ATOM 0 HD11 LEU A 103 15.151 -15.422 9.523 1.00 0.93 H new ATOM 0 HD12 LEU A 103 14.315 -13.910 9.095 1.00 0.93 H new ATOM 0 HD13 LEU A 103 13.410 -15.441 9.154 1.00 0.93 H new ATOM 0 HD21 LEU A 103 15.534 -17.173 7.781 1.00 1.27 H new ATOM 0 HD22 LEU A 103 13.789 -17.186 7.428 1.00 1.27 H new ATOM 0 HD23 LEU A 103 14.961 -16.909 6.117 1.00 1.27 H new ATOM 1705 N LYS A 104 12.316 -11.639 6.992 1.00 0.22 N ATOM 1706 CA LYS A 104 11.059 -10.859 6.817 1.00 0.31 C ATOM 1707 C LYS A 104 11.239 -9.423 7.293 1.00 0.33 C ATOM 1708 O LYS A 104 11.603 -9.166 8.422 1.00 0.34 O ATOM 1709 CB LYS A 104 9.932 -11.527 7.608 1.00 0.45 C ATOM 1710 CG LYS A 104 9.107 -12.405 6.664 1.00 0.52 C ATOM 1711 CD LYS A 104 7.813 -11.683 6.285 1.00 0.86 C ATOM 1712 CE LYS A 104 6.677 -12.158 7.194 1.00 1.24 C ATOM 1713 NZ LYS A 104 6.179 -13.480 6.720 1.00 1.35 N ATOM 0 H LYS A 104 12.777 -11.562 7.899 1.00 0.22 H new ATOM 0 HA LYS A 104 10.806 -10.839 5.757 1.00 0.31 H new ATOM 0 HB2 LYS A 104 10.346 -12.130 8.416 1.00 0.45 H new ATOM 0 HB3 LYS A 104 9.297 -10.770 8.069 1.00 0.45 H new ATOM 0 HG2 LYS A 104 9.683 -12.633 5.767 1.00 0.52 H new ATOM 0 HG3 LYS A 104 8.877 -13.356 7.145 1.00 0.52 H new ATOM 0 HD2 LYS A 104 7.944 -10.605 6.382 1.00 0.86 H new ATOM 0 HD3 LYS A 104 7.566 -11.882 5.242 1.00 0.86 H new ATOM 0 HE2 LYS A 104 7.029 -12.238 8.222 1.00 1.24 H new ATOM 0 HE3 LYS A 104 5.866 -11.430 7.191 1.00 1.24 H new ATOM 0 HZ1 LYS A 104 5.836 -14.033 7.531 1.00 1.35 H new ATOM 0 HZ2 LYS A 104 5.401 -13.336 6.045 1.00 1.35 H new ATOM 0 HZ3 LYS A 104 6.952 -13.995 6.252 1.00 1.35 H new ATOM 1727 N ILE A 105 10.967 -8.484 6.431 1.00 0.33 N ATOM 1728 CA ILE A 105 11.100 -7.054 6.823 1.00 0.36 C ATOM 1729 C ILE A 105 9.733 -6.362 6.698 1.00 0.35 C ATOM 1730 O ILE A 105 9.200 -6.209 5.619 1.00 0.31 O ATOM 1731 CB ILE A 105 12.116 -6.360 5.906 1.00 0.30 C ATOM 1732 CG1 ILE A 105 13.519 -6.456 6.514 1.00 0.37 C ATOM 1733 CG2 ILE A 105 11.746 -4.888 5.752 1.00 0.31 C ATOM 1734 CD1 ILE A 105 14.532 -5.785 5.576 1.00 0.48 C ATOM 0 H ILE A 105 10.658 -8.645 5.472 1.00 0.33 H new ATOM 0 HA ILE A 105 11.446 -6.990 7.855 1.00 0.36 H new ATOM 0 HB ILE A 105 12.104 -6.850 4.933 1.00 0.30 H new ATOM 0 HG12 ILE A 105 13.537 -5.973 7.491 1.00 0.37 H new ATOM 0 HG13 ILE A 105 13.788 -7.501 6.670 1.00 0.37 H new ATOM 0 HG21 ILE A 105 12.469 -4.397 5.100 1.00 0.31 H new ATOM 0 HG22 ILE A 105 10.750 -4.807 5.316 1.00 0.31 H new ATOM 0 HG23 ILE A 105 11.754 -4.407 6.730 1.00 0.31 H new ATOM 0 HD11 ILE A 105 15.530 -5.854 6.009 1.00 0.48 H new ATOM 0 HD12 ILE A 105 14.521 -6.288 4.609 1.00 0.48 H new ATOM 0 HD13 ILE A 105 14.266 -4.736 5.443 1.00 0.48 H new ATOM 1746 N TYR A 106 9.176 -5.931 7.799 1.00 0.38 N ATOM 1747 CA TYR A 106 7.859 -5.227 7.770 1.00 0.37 C ATOM 1748 C TYR A 106 8.150 -3.744 7.957 1.00 0.32 C ATOM 1749 O TYR A 106 9.118 -3.387 8.589 1.00 0.32 O ATOM 1750 CB TYR A 106 6.984 -5.734 8.916 1.00 0.47 C ATOM 1751 CG TYR A 106 6.012 -6.762 8.396 1.00 0.45 C ATOM 1752 CD1 TYR A 106 6.462 -7.804 7.577 1.00 0.41 C ATOM 1753 CD2 TYR A 106 4.659 -6.674 8.738 1.00 0.68 C ATOM 1754 CE1 TYR A 106 5.556 -8.757 7.098 1.00 0.58 C ATOM 1755 CE2 TYR A 106 3.753 -7.626 8.259 1.00 0.82 C ATOM 1756 CZ TYR A 106 4.202 -8.669 7.440 1.00 0.76 C ATOM 1757 OH TYR A 106 3.309 -9.610 6.967 1.00 0.98 O ATOM 0 H TYR A 106 9.582 -6.038 8.728 1.00 0.38 H new ATOM 0 HA TYR A 106 7.333 -5.407 6.832 1.00 0.37 H new ATOM 0 HB2 TYR A 106 7.607 -6.171 9.697 1.00 0.47 H new ATOM 0 HB3 TYR A 106 6.442 -4.903 9.368 1.00 0.47 H new ATOM 0 HD1 TYR A 106 7.507 -7.873 7.315 1.00 0.41 H new ATOM 0 HD2 TYR A 106 4.313 -5.871 9.372 1.00 0.68 H new ATOM 0 HE1 TYR A 106 5.902 -9.560 6.464 1.00 0.58 H new ATOM 0 HE2 TYR A 106 2.708 -7.557 8.521 1.00 0.82 H new ATOM 0 HH TYR A 106 2.410 -9.404 7.299 1.00 0.98 H new ATOM 1767 N PHE A 107 7.382 -2.868 7.376 1.00 0.27 N ATOM 1768 CA PHE A 107 7.732 -1.428 7.509 1.00 0.20 C ATOM 1769 C PHE A 107 6.523 -0.542 7.866 1.00 0.16 C ATOM 1770 O PHE A 107 5.394 -0.843 7.531 1.00 0.19 O ATOM 1771 CB PHE A 107 8.311 -0.978 6.167 1.00 0.18 C ATOM 1772 CG PHE A 107 9.805 -0.812 6.303 1.00 0.17 C ATOM 1773 CD1 PHE A 107 10.649 -1.926 6.215 1.00 0.15 C ATOM 1774 CD2 PHE A 107 10.346 0.461 6.517 1.00 0.21 C ATOM 1775 CE1 PHE A 107 12.034 -1.766 6.339 1.00 0.16 C ATOM 1776 CE2 PHE A 107 11.732 0.620 6.639 1.00 0.20 C ATOM 1777 CZ PHE A 107 12.575 -0.493 6.551 1.00 0.17 C ATOM 0 H PHE A 107 6.548 -3.078 6.828 1.00 0.27 H new ATOM 0 HA PHE A 107 8.445 -1.318 8.326 1.00 0.20 H new ATOM 0 HB2 PHE A 107 8.083 -1.712 5.394 1.00 0.18 H new ATOM 0 HB3 PHE A 107 7.855 -0.038 5.857 1.00 0.18 H new ATOM 0 HD1 PHE A 107 10.231 -2.908 6.051 1.00 0.15 H new ATOM 0 HD2 PHE A 107 9.695 1.320 6.588 1.00 0.21 H new ATOM 0 HE1 PHE A 107 12.685 -2.625 6.271 1.00 0.16 H new ATOM 0 HE2 PHE A 107 12.150 1.602 6.801 1.00 0.20 H new ATOM 0 HZ PHE A 107 13.644 -0.370 6.647 1.00 0.17 H new ATOM 1787 N ASN A 108 6.775 0.572 8.525 1.00 0.11 N ATOM 1788 CA ASN A 108 5.674 1.519 8.889 1.00 0.12 C ATOM 1789 C ASN A 108 6.237 2.943 8.934 1.00 0.06 C ATOM 1790 O ASN A 108 7.365 3.157 9.323 1.00 0.04 O ATOM 1791 CB ASN A 108 5.090 1.149 10.254 1.00 0.18 C ATOM 1792 CG ASN A 108 4.468 -0.246 10.177 1.00 0.64 C ATOM 1793 OD1 ASN A 108 3.372 -0.408 9.676 1.00 1.01 O ATOM 1794 ND2 ASN A 108 5.123 -1.268 10.654 1.00 1.16 N ATOM 0 H ASN A 108 7.705 0.863 8.826 1.00 0.11 H new ATOM 0 HA ASN A 108 4.881 1.458 8.143 1.00 0.12 H new ATOM 0 HB2 ASN A 108 5.871 1.170 11.014 1.00 0.18 H new ATOM 0 HB3 ASN A 108 4.337 1.879 10.550 1.00 0.18 H new ATOM 0 HD21 ASN A 108 4.716 -2.202 10.607 1.00 1.16 H new ATOM 0 HD22 ASN A 108 6.042 -1.133 11.074 1.00 1.16 H new ATOM 1801 N GLU A 109 5.456 3.916 8.530 1.00 0.13 N ATOM 1802 CA GLU A 109 5.946 5.333 8.510 1.00 0.14 C ATOM 1803 C GLU A 109 6.304 5.825 9.915 1.00 0.07 C ATOM 1804 O GLU A 109 6.801 6.921 10.083 1.00 0.08 O ATOM 1805 CB GLU A 109 4.852 6.230 7.927 1.00 0.22 C ATOM 1806 CG GLU A 109 5.491 7.330 7.077 1.00 0.62 C ATOM 1807 CD GLU A 109 4.598 7.621 5.869 1.00 1.90 C ATOM 1808 OE1 GLU A 109 3.438 7.936 6.079 1.00 2.47 O ATOM 1809 OE2 GLU A 109 5.088 7.521 4.756 1.00 2.55 O ATOM 0 H GLU A 109 4.495 3.790 8.211 1.00 0.13 H new ATOM 0 HA GLU A 109 6.846 5.375 7.897 1.00 0.14 H new ATOM 0 HB2 GLU A 109 4.167 5.638 7.319 1.00 0.22 H new ATOM 0 HB3 GLU A 109 4.264 6.673 8.731 1.00 0.22 H new ATOM 0 HG2 GLU A 109 5.623 8.234 7.672 1.00 0.62 H new ATOM 0 HG3 GLU A 109 6.481 7.019 6.745 1.00 0.62 H new ATOM 1816 N ARG A 110 6.085 5.035 10.923 1.00 0.04 N ATOM 1817 CA ARG A 110 6.445 5.476 12.296 1.00 0.06 C ATOM 1818 C ARG A 110 7.930 5.187 12.543 1.00 0.09 C ATOM 1819 O ARG A 110 8.378 5.131 13.671 1.00 0.14 O ATOM 1820 CB ARG A 110 5.601 4.705 13.311 1.00 0.13 C ATOM 1821 CG ARG A 110 4.119 4.951 13.028 1.00 1.63 C ATOM 1822 CD ARG A 110 3.835 6.452 13.085 1.00 2.41 C ATOM 1823 NE ARG A 110 2.383 6.675 13.328 1.00 3.92 N ATOM 1824 CZ ARG A 110 1.958 6.959 14.529 1.00 4.35 C ATOM 1825 NH1 ARG A 110 2.122 6.101 15.499 1.00 3.97 N ATOM 1826 NH2 ARG A 110 1.376 8.103 14.763 1.00 5.58 N ATOM 0 H ARG A 110 5.673 4.104 10.857 1.00 0.04 H new ATOM 0 HA ARG A 110 6.257 6.544 12.403 1.00 0.06 H new ATOM 0 HB2 ARG A 110 5.822 3.639 13.250 1.00 0.13 H new ATOM 0 HB3 ARG A 110 5.847 5.025 14.323 1.00 0.13 H new ATOM 0 HG2 ARG A 110 3.854 4.556 12.047 1.00 1.63 H new ATOM 0 HG3 ARG A 110 3.505 4.425 13.760 1.00 1.63 H new ATOM 0 HD2 ARG A 110 4.422 6.914 13.879 1.00 2.41 H new ATOM 0 HD3 ARG A 110 4.135 6.925 12.150 1.00 2.41 H new ATOM 0 HE ARG A 110 1.720 6.606 12.556 1.00 3.92 H new ATOM 0 HH11 ARG A 110 2.582 5.209 15.318 1.00 3.97 H new ATOM 0 HH12 ARG A 110 1.790 6.323 16.438 1.00 3.97 H new ATOM 0 HH21 ARG A 110 1.253 8.777 14.007 1.00 5.58 H new ATOM 0 HH22 ARG A 110 1.044 8.324 15.702 1.00 5.58 H new ATOM 1840 N GLY A 111 8.696 4.972 11.502 1.00 0.07 N ATOM 1841 CA GLY A 111 10.135 4.654 11.699 1.00 0.11 C ATOM 1842 C GLY A 111 10.215 3.338 12.448 1.00 0.15 C ATOM 1843 O GLY A 111 11.147 3.076 13.183 1.00 0.18 O ATOM 0 H GLY A 111 8.385 5.004 10.531 1.00 0.07 H new ATOM 0 HA2 GLY A 111 10.646 4.580 10.739 1.00 0.11 H new ATOM 0 HA3 GLY A 111 10.629 5.446 12.262 1.00 0.11 H new ATOM 1847 N TYR A 112 9.234 2.499 12.259 1.00 0.16 N ATOM 1848 CA TYR A 112 9.247 1.194 12.951 1.00 0.20 C ATOM 1849 C TYR A 112 9.066 0.075 11.929 1.00 0.24 C ATOM 1850 O TYR A 112 7.988 -0.157 11.418 1.00 0.26 O ATOM 1851 CB TYR A 112 8.107 1.139 13.973 1.00 0.19 C ATOM 1852 CG TYR A 112 8.568 1.693 15.306 1.00 0.83 C ATOM 1853 CD1 TYR A 112 9.874 1.455 15.762 1.00 0.65 C ATOM 1854 CD2 TYR A 112 7.683 2.446 16.089 1.00 2.97 C ATOM 1855 CE1 TYR A 112 10.289 1.968 16.995 1.00 0.45 C ATOM 1856 CE2 TYR A 112 8.101 2.957 17.325 1.00 3.69 C ATOM 1857 CZ TYR A 112 9.403 2.718 17.777 1.00 2.30 C ATOM 1858 OH TYR A 112 9.815 3.222 18.993 1.00 3.03 O ATOM 0 H TYR A 112 8.429 2.666 11.656 1.00 0.16 H new ATOM 0 HA TYR A 112 10.200 1.069 13.466 1.00 0.20 H new ATOM 0 HB2 TYR A 112 7.255 1.712 13.608 1.00 0.19 H new ATOM 0 HB3 TYR A 112 7.769 0.110 14.096 1.00 0.19 H new ATOM 0 HD1 TYR A 112 10.559 0.875 15.160 1.00 0.65 H new ATOM 0 HD2 TYR A 112 6.678 2.633 15.740 1.00 2.97 H new ATOM 0 HE1 TYR A 112 11.294 1.785 17.344 1.00 0.45 H new ATOM 0 HE2 TYR A 112 7.418 3.536 17.929 1.00 3.69 H new ATOM 0 HH TYR A 112 9.079 3.719 19.407 1.00 3.03 H new ATOM 1868 N ALA A 113 10.117 -0.634 11.669 1.00 0.27 N ATOM 1869 CA ALA A 113 10.057 -1.776 10.723 1.00 0.31 C ATOM 1870 C ALA A 113 10.502 -2.995 11.505 1.00 0.34 C ATOM 1871 O ALA A 113 11.452 -2.932 12.258 1.00 0.33 O ATOM 1872 CB ALA A 113 11.010 -1.547 9.547 1.00 0.31 C ATOM 0 H ALA A 113 11.036 -0.469 12.079 1.00 0.27 H new ATOM 0 HA ALA A 113 9.052 -1.896 10.318 1.00 0.31 H new ATOM 0 HB1 ALA A 113 10.954 -2.394 8.863 1.00 0.31 H new ATOM 0 HB2 ALA A 113 10.726 -0.636 9.021 1.00 0.31 H new ATOM 0 HB3 ALA A 113 12.030 -1.448 9.919 1.00 0.31 H new ATOM 1878 N LYS A 114 9.841 -4.098 11.385 1.00 0.37 N ATOM 1879 CA LYS A 114 10.311 -5.248 12.200 1.00 0.39 C ATOM 1880 C LYS A 114 11.124 -6.207 11.340 1.00 0.43 C ATOM 1881 O LYS A 114 10.756 -6.568 10.245 1.00 0.41 O ATOM 1882 CB LYS A 114 9.121 -5.974 12.848 1.00 0.42 C ATOM 1883 CG LYS A 114 8.327 -6.772 11.808 1.00 2.56 C ATOM 1884 CD LYS A 114 8.020 -8.164 12.369 1.00 3.30 C ATOM 1885 CE LYS A 114 6.544 -8.501 12.140 1.00 4.21 C ATOM 1886 NZ LYS A 114 6.430 -9.629 11.169 1.00 6.77 N ATOM 0 H LYS A 114 9.030 -4.258 10.788 1.00 0.37 H new ATOM 0 HA LYS A 114 10.952 -4.870 12.996 1.00 0.39 H new ATOM 0 HB2 LYS A 114 9.482 -6.645 13.628 1.00 0.42 H new ATOM 0 HB3 LYS A 114 8.467 -5.248 13.330 1.00 0.42 H new ATOM 0 HG2 LYS A 114 7.400 -6.253 11.563 1.00 2.56 H new ATOM 0 HG3 LYS A 114 8.898 -6.857 10.884 1.00 2.56 H new ATOM 0 HD2 LYS A 114 8.652 -8.909 11.885 1.00 3.30 H new ATOM 0 HD3 LYS A 114 8.249 -8.196 13.434 1.00 3.30 H new ATOM 0 HE2 LYS A 114 6.072 -8.772 13.084 1.00 4.21 H new ATOM 0 HE3 LYS A 114 6.016 -7.626 11.760 1.00 4.21 H new ATOM 0 HZ1 LYS A 114 5.427 -9.855 11.016 1.00 6.77 H new ATOM 0 HZ2 LYS A 114 6.865 -9.354 10.265 1.00 6.77 H new ATOM 0 HZ3 LYS A 114 6.919 -10.465 11.549 1.00 6.77 H new ATOM 1900 N VAL A 115 12.253 -6.612 11.837 1.00 0.46 N ATOM 1901 CA VAL A 115 13.112 -7.543 11.065 1.00 0.49 C ATOM 1902 C VAL A 115 13.232 -8.870 11.809 1.00 0.54 C ATOM 1903 O VAL A 115 13.423 -8.913 13.007 1.00 0.73 O ATOM 1904 CB VAL A 115 14.509 -6.939 10.894 1.00 0.49 C ATOM 1905 CG1 VAL A 115 15.556 -8.055 10.952 1.00 0.94 C ATOM 1906 CG2 VAL A 115 14.601 -6.232 9.541 1.00 0.66 C ATOM 0 H VAL A 115 12.620 -6.337 12.748 1.00 0.46 H new ATOM 0 HA VAL A 115 12.662 -7.709 10.086 1.00 0.49 H new ATOM 0 HB VAL A 115 14.692 -6.221 11.693 1.00 0.49 H new ATOM 0 HG11 VAL A 115 16.551 -7.627 10.830 1.00 0.94 H new ATOM 0 HG12 VAL A 115 15.494 -8.562 11.915 1.00 0.94 H new ATOM 0 HG13 VAL A 115 15.369 -8.771 10.152 1.00 0.94 H new ATOM 0 HG21 VAL A 115 15.596 -5.803 9.422 1.00 0.66 H new ATOM 0 HG22 VAL A 115 14.417 -6.950 8.742 1.00 0.66 H new ATOM 0 HG23 VAL A 115 13.856 -5.438 9.494 1.00 0.66 H new ATOM 1916 N LEU A 116 13.140 -9.951 11.098 1.00 0.39 N ATOM 1917 CA LEU A 116 13.274 -11.288 11.734 1.00 0.41 C ATOM 1918 C LEU A 116 14.317 -12.061 10.937 1.00 0.50 C ATOM 1919 O LEU A 116 14.106 -12.377 9.784 1.00 0.90 O ATOM 1920 CB LEU A 116 11.933 -12.028 11.683 1.00 0.57 C ATOM 1921 CG LEU A 116 11.771 -12.902 12.931 1.00 0.48 C ATOM 1922 CD1 LEU A 116 10.323 -13.387 13.024 1.00 1.04 C ATOM 1923 CD2 LEU A 116 12.708 -14.108 12.834 1.00 0.64 C ATOM 0 H LEU A 116 12.976 -9.968 10.091 1.00 0.39 H new ATOM 0 HA LEU A 116 13.572 -11.192 12.778 1.00 0.41 H new ATOM 0 HB2 LEU A 116 11.114 -11.311 11.622 1.00 0.57 H new ATOM 0 HB3 LEU A 116 11.883 -12.646 10.787 1.00 0.57 H new ATOM 0 HG LEU A 116 12.019 -12.321 13.819 1.00 0.48 H new ATOM 0 HD11 LEU A 116 10.204 -14.009 13.911 1.00 1.04 H new ATOM 0 HD12 LEU A 116 9.655 -12.528 13.091 1.00 1.04 H new ATOM 0 HD13 LEU A 116 10.077 -13.970 12.136 1.00 1.04 H new ATOM 0 HD21 LEU A 116 12.593 -14.730 13.722 1.00 0.64 H new ATOM 0 HD22 LEU A 116 12.460 -14.691 11.947 1.00 0.64 H new ATOM 0 HD23 LEU A 116 13.739 -13.763 12.764 1.00 0.64 H new ATOM 1935 N LEU A 117 15.449 -12.350 11.516 1.00 0.23 N ATOM 1936 CA LEU A 117 16.486 -13.079 10.740 1.00 0.45 C ATOM 1937 C LEU A 117 16.450 -14.551 11.065 1.00 0.14 C ATOM 1938 O LEU A 117 16.200 -14.956 12.183 1.00 0.27 O ATOM 1939 CB LEU A 117 17.876 -12.545 11.067 1.00 0.88 C ATOM 1940 CG LEU A 117 18.924 -13.367 10.319 1.00 0.93 C ATOM 1941 CD1 LEU A 117 20.074 -12.440 9.925 1.00 2.37 C ATOM 1942 CD2 LEU A 117 19.439 -14.511 11.203 1.00 2.64 C ATOM 0 H LEU A 117 15.697 -12.117 12.477 1.00 0.23 H new ATOM 0 HA LEU A 117 16.275 -12.928 9.681 1.00 0.45 H new ATOM 0 HB2 LEU A 117 17.950 -11.495 10.783 1.00 0.88 H new ATOM 0 HB3 LEU A 117 18.055 -12.598 12.141 1.00 0.88 H new ATOM 0 HG LEU A 117 18.480 -13.808 9.426 1.00 0.93 H new ATOM 0 HD11 LEU A 117 20.833 -13.010 9.389 1.00 2.37 H new ATOM 0 HD12 LEU A 117 19.696 -11.645 9.283 1.00 2.37 H new ATOM 0 HD13 LEU A 117 20.513 -12.004 10.822 1.00 2.37 H new ATOM 0 HD21 LEU A 117 20.185 -15.087 10.655 1.00 2.64 H new ATOM 0 HD22 LEU A 117 19.890 -14.099 12.106 1.00 2.64 H new ATOM 0 HD23 LEU A 117 18.608 -15.161 11.477 1.00 2.64 H new ATOM 1954 N GLY A 118 16.711 -15.357 10.089 1.00 0.32 N ATOM 1955 CA GLY A 118 16.704 -16.801 10.326 1.00 0.33 C ATOM 1956 C GLY A 118 18.018 -17.400 9.852 1.00 0.25 C ATOM 1957 O GLY A 118 18.318 -17.455 8.676 1.00 0.38 O ATOM 0 H GLY A 118 16.929 -15.071 9.135 1.00 0.32 H new ATOM 0 HA2 GLY A 118 16.561 -17.005 11.387 1.00 0.33 H new ATOM 0 HA3 GLY A 118 15.870 -17.263 9.797 1.00 0.33 H new ATOM 1961 N LEU A 119 18.781 -17.883 10.774 1.00 0.13 N ATOM 1962 CA LEU A 119 20.064 -18.530 10.440 1.00 0.06 C ATOM 1963 C LEU A 119 19.721 -19.929 10.012 1.00 0.08 C ATOM 1964 O LEU A 119 19.049 -20.639 10.716 1.00 0.11 O ATOM 1965 CB LEU A 119 20.953 -18.563 11.679 1.00 0.08 C ATOM 1966 CG LEU A 119 21.417 -20.007 11.987 1.00 0.10 C ATOM 1967 CD1 LEU A 119 22.258 -20.584 10.848 1.00 0.19 C ATOM 1968 CD2 LEU A 119 22.261 -19.988 13.254 1.00 0.12 C ATOM 0 H LEU A 119 18.564 -17.856 11.770 1.00 0.13 H new ATOM 0 HA LEU A 119 20.600 -17.995 9.656 1.00 0.06 H new ATOM 0 HB2 LEU A 119 21.822 -17.923 11.526 1.00 0.08 H new ATOM 0 HB3 LEU A 119 20.408 -18.162 12.533 1.00 0.08 H new ATOM 0 HG LEU A 119 20.532 -20.632 12.110 1.00 0.10 H new ATOM 0 HD11 LEU A 119 22.565 -21.599 11.101 1.00 0.19 H new ATOM 0 HD12 LEU A 119 21.667 -20.601 9.932 1.00 0.19 H new ATOM 0 HD13 LEU A 119 23.142 -19.964 10.698 1.00 0.19 H new ATOM 0 HD21 LEU A 119 22.595 -21.000 13.484 1.00 0.12 H new ATOM 0 HD22 LEU A 119 23.128 -19.345 13.104 1.00 0.12 H new ATOM 0 HD23 LEU A 119 21.665 -19.606 14.083 1.00 0.12 H new ATOM 1980 N ALA A 120 20.132 -20.335 8.869 1.00 0.11 N ATOM 1981 CA ALA A 120 19.760 -21.692 8.440 1.00 0.10 C ATOM 1982 C ALA A 120 20.975 -22.576 8.476 1.00 0.11 C ATOM 1983 O ALA A 120 22.028 -22.222 7.981 1.00 0.14 O ATOM 1984 CB ALA A 120 19.214 -21.642 7.025 1.00 0.11 C ATOM 0 H ALA A 120 20.703 -19.799 8.216 1.00 0.11 H new ATOM 0 HA ALA A 120 18.998 -22.091 9.110 1.00 0.10 H new ATOM 0 HB1 ALA A 120 18.938 -22.647 6.706 1.00 0.11 H new ATOM 0 HB2 ALA A 120 18.335 -20.998 6.997 1.00 0.11 H new ATOM 0 HB3 ALA A 120 19.976 -21.245 6.355 1.00 0.11 H new ATOM 1990 N ARG A 121 20.852 -23.737 9.027 1.00 0.08 N ATOM 1991 CA ARG A 121 22.028 -24.618 9.035 1.00 0.07 C ATOM 1992 C ARG A 121 21.883 -25.563 7.844 1.00 0.09 C ATOM 1993 O ARG A 121 21.037 -26.420 7.817 1.00 0.10 O ATOM 1994 CB ARG A 121 22.100 -25.384 10.359 1.00 0.10 C ATOM 1995 CG ARG A 121 20.759 -25.302 11.093 1.00 0.21 C ATOM 1996 CD ARG A 121 20.827 -26.136 12.372 1.00 0.60 C ATOM 1997 NE ARG A 121 20.462 -27.545 12.056 1.00 0.83 N ATOM 1998 CZ ARG A 121 21.394 -28.405 11.756 1.00 1.71 C ATOM 1999 NH1 ARG A 121 21.786 -28.538 10.518 1.00 3.31 N ATOM 2000 NH2 ARG A 121 21.939 -29.127 12.696 1.00 1.75 N ATOM 0 H ARG A 121 20.007 -24.107 9.463 1.00 0.08 H new ATOM 0 HA ARG A 121 22.955 -24.051 8.948 1.00 0.07 H new ATOM 0 HB2 ARG A 121 22.356 -26.427 10.170 1.00 0.10 H new ATOM 0 HB3 ARG A 121 22.891 -24.970 10.984 1.00 0.10 H new ATOM 0 HG2 ARG A 121 20.527 -24.265 11.334 1.00 0.21 H new ATOM 0 HG3 ARG A 121 19.958 -25.667 10.450 1.00 0.21 H new ATOM 0 HD2 ARG A 121 21.830 -26.094 12.795 1.00 0.60 H new ATOM 0 HD3 ARG A 121 20.147 -25.731 13.122 1.00 0.60 H new ATOM 0 HE ARG A 121 19.485 -27.836 12.074 1.00 0.83 H new ATOM 0 HH11 ARG A 121 21.363 -27.969 9.785 1.00 3.31 H new ATOM 0 HH12 ARG A 121 22.516 -29.211 10.284 1.00 3.31 H new ATOM 0 HH21 ARG A 121 21.635 -29.018 13.664 1.00 1.75 H new ATOM 0 HH22 ARG A 121 22.669 -29.801 12.463 1.00 1.75 H new ATOM 2014 N GLY A 122 22.696 -25.404 6.842 1.00 0.11 N ATOM 2015 CA GLY A 122 22.557 -26.285 5.644 1.00 0.16 C ATOM 2016 C GLY A 122 22.904 -27.728 6.011 1.00 0.07 C ATOM 2017 O GLY A 122 22.504 -28.660 5.342 1.00 0.15 O ATOM 0 H GLY A 122 23.444 -24.712 6.795 1.00 0.11 H new ATOM 0 HA2 GLY A 122 21.538 -26.234 5.261 1.00 0.16 H new ATOM 0 HA3 GLY A 122 23.214 -25.936 4.848 1.00 0.16 H new ATOM 2021 N LYS A 123 23.645 -27.924 7.062 1.00 0.08 N ATOM 2022 CA LYS A 123 24.012 -29.313 7.455 1.00 0.16 C ATOM 2023 C LYS A 123 24.662 -29.303 8.840 1.00 1.37 C ATOM 2024 O LYS A 123 24.798 -30.371 9.416 1.00 1.83 O ATOM 2025 CB LYS A 123 24.994 -29.886 6.432 1.00 1.65 C ATOM 2026 CG LYS A 123 24.741 -31.385 6.266 1.00 2.97 C ATOM 2027 CD LYS A 123 26.079 -32.122 6.190 1.00 1.95 C ATOM 2028 CE LYS A 123 26.893 -31.579 5.014 1.00 1.70 C ATOM 2029 NZ LYS A 123 27.979 -30.699 5.530 1.00 2.88 N ATOM 0 H LYS A 123 24.012 -27.188 7.665 1.00 0.08 H new ATOM 0 HA LYS A 123 23.114 -29.931 7.485 1.00 0.16 H new ATOM 0 HB2 LYS A 123 24.876 -29.378 5.475 1.00 1.65 H new ATOM 0 HB3 LYS A 123 26.019 -29.714 6.760 1.00 1.65 H new ATOM 0 HG2 LYS A 123 24.154 -31.761 7.104 1.00 2.97 H new ATOM 0 HG3 LYS A 123 24.160 -31.569 5.362 1.00 2.97 H new ATOM 0 HD2 LYS A 123 26.632 -31.991 7.120 1.00 1.95 H new ATOM 0 HD3 LYS A 123 25.911 -33.192 6.067 1.00 1.95 H new ATOM 0 HE2 LYS A 123 27.318 -32.403 4.441 1.00 1.70 H new ATOM 0 HE3 LYS A 123 26.247 -31.020 4.337 1.00 1.70 H new ATOM 0 HZ1 LYS A 123 27.655 -29.711 5.529 1.00 2.88 H new ATOM 0 HZ2 LYS A 123 28.223 -30.982 6.500 1.00 2.88 H new ATOM 0 HZ3 LYS A 123 28.818 -30.789 4.921 1.00 2.88 H new TER 2043 LYS A 123