USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1084 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 59 HIS : no HD1:sc= -2.34! C(o=-1.1!,f=-16!) USER MOD Set 1.2: A 94 TYR OH : rot 39:sc= 1.2 USER MOD Set 2.1: A 67 LYS NZ :NH3+ -143:sc= 1.05 (180deg=-0.206) USER MOD Set 2.2: A 102 ASN : amide:sc= -0.677! C(o=0.37!,f=-8.2!) USER MOD Set 3.1: A 66 TYR OH : rot 53:sc= -0.812 USER MOD Set 3.2: A 103 GLN : amide:sc= -9.36! C(o=-10!,f=-13!) USER MOD Set 4.1: A 41 CYS SG : rot -107:sc= -1.27! USER MOD Set 4.2: A 46 HIS :FLIP no HE2:sc= -0.386 F(o=-5.6!,f=-1.7) USER MOD Set 5.1: A 13 HIS : no HD1:sc= -0.112 K(o=-0.88,f=-3.6!) USER MOD Set 5.2: A 125 SER OG : rot 79:sc= -0.764 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.09) USER MOD Single : A 5 HIS :FLIP no HE2:sc= 0.204 F(o=-0.82,f=0.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.35) USER MOD Single : A 27 SER OG : rot 60:sc= 0.802 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.7!) USER MOD Single : A 33 MET CE :methyl 138:sc= -0.772 (180deg=-4.33!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -67:sc= 0.166 USER MOD Single : A 52 TYR OH : rot -140:sc= -0.293 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc=-0.00519 (180deg=-0.137) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 0.143 (180deg=0.00841) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= 0.994 F(o=-0.21,f=0.99) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.3 K(o=-0.3,f=-4.1!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.2) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 123 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0569) USER MOD Single : A 126 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.116 -13.098 -5.795 1.00 65.41 N ATOM 2 CA GLY A 1 -23.075 -12.393 -6.537 1.00 12.45 C ATOM 3 C GLY A 1 -21.900 -12.076 -5.657 1.00 24.13 C ATOM 4 O GLY A 1 -21.774 -10.949 -5.168 1.00 43.43 O ATOM 0 H1 GLY A 1 -24.915 -13.304 -6.428 1.00 65.41 H new ATOM 0 H2 GLY A 1 -23.732 -13.989 -5.421 1.00 65.41 H new ATOM 0 H3 GLY A 1 -24.443 -12.504 -5.007 1.00 65.41 H new ATOM 0 HA2 GLY A 1 -22.748 -13.004 -7.379 1.00 12.45 H new ATOM 0 HA3 GLY A 1 -23.482 -11.470 -6.951 1.00 12.45 H new ATOM 10 N HIS A 2 -21.036 -13.070 -5.430 1.00 13.14 N ATOM 11 CA HIS A 2 -19.862 -12.898 -4.575 1.00 11.44 C ATOM 12 C HIS A 2 -18.925 -11.874 -5.227 1.00 1.43 C ATOM 13 O HIS A 2 -18.716 -11.919 -6.441 1.00 3.31 O ATOM 14 CB HIS A 2 -19.170 -14.253 -4.335 1.00 55.12 C ATOM 15 CG HIS A 2 -18.078 -14.231 -3.297 1.00 74.40 C ATOM 16 ND1 HIS A 2 -16.813 -14.722 -3.520 1.00 31.42 N ATOM 17 CD2 HIS A 2 -18.093 -13.819 -2.002 1.00 40.43 C ATOM 18 CE1 HIS A 2 -16.103 -14.618 -2.414 1.00 53.33 C ATOM 19 NE2 HIS A 2 -16.855 -14.071 -1.481 1.00 44.04 N ATOM 0 H HIS A 2 -21.130 -14.004 -5.829 1.00 13.14 H new ATOM 0 HA HIS A 2 -20.157 -12.520 -3.596 1.00 11.44 H new ATOM 0 HB2 HIS A 2 -19.923 -14.981 -4.034 1.00 55.12 H new ATOM 0 HB3 HIS A 2 -18.749 -14.602 -5.278 1.00 55.12 H new ATOM 0 HD2 HIS A 2 -18.928 -13.375 -1.481 1.00 40.43 H new ATOM 0 HE1 HIS A 2 -15.076 -14.929 -2.293 1.00 53.33 H new ATOM 0 HE2 HIS A 2 -16.561 -13.869 -0.525 1.00 44.04 H new ATOM 28 N HIS A 3 -18.362 -10.975 -4.407 1.00 4.44 N ATOM 29 CA HIS A 3 -17.633 -9.780 -4.871 1.00 11.20 C ATOM 30 C HIS A 3 -18.639 -8.770 -5.345 1.00 51.41 C ATOM 31 O HIS A 3 -19.015 -8.748 -6.513 1.00 55.53 O ATOM 32 CB HIS A 3 -16.537 -10.034 -5.950 1.00 43.43 C ATOM 33 CG HIS A 3 -15.342 -10.801 -5.475 1.00 31.23 C ATOM 34 ND1 HIS A 3 -14.136 -10.209 -5.164 1.00 73.32 N ATOM 35 CD2 HIS A 3 -15.166 -12.119 -5.269 1.00 35.23 C ATOM 36 CE1 HIS A 3 -13.282 -11.131 -4.784 1.00 53.43 C ATOM 37 NE2 HIS A 3 -13.883 -12.296 -4.840 1.00 62.24 N ATOM 0 H HIS A 3 -18.399 -11.056 -3.391 1.00 4.44 H new ATOM 0 HA HIS A 3 -17.065 -9.409 -4.017 1.00 11.20 H new ATOM 0 HB2 HIS A 3 -16.988 -10.574 -6.783 1.00 43.43 H new ATOM 0 HB3 HIS A 3 -16.201 -9.072 -6.338 1.00 43.43 H new ATOM 0 HD2 HIS A 3 -15.904 -12.894 -5.416 1.00 35.23 H new ATOM 0 HE1 HIS A 3 -12.260 -10.960 -4.478 1.00 53.43 H new ATOM 0 HE2 HIS A 3 -13.458 -13.192 -4.601 1.00 62.24 H new ATOM 46 N HIS A 4 -19.135 -7.980 -4.415 1.00 3.13 N ATOM 47 CA HIS A 4 -20.178 -7.029 -4.722 1.00 50.42 C ATOM 48 C HIS A 4 -19.642 -5.840 -5.495 1.00 22.21 C ATOM 49 O HIS A 4 -18.910 -5.007 -4.959 1.00 3.22 O ATOM 50 CB HIS A 4 -20.989 -6.588 -3.460 1.00 0.30 C ATOM 51 CG HIS A 4 -20.235 -5.802 -2.409 1.00 25.54 C ATOM 52 ND1 HIS A 4 -19.506 -6.384 -1.410 1.00 2.02 N ATOM 53 CD2 HIS A 4 -20.116 -4.463 -2.216 1.00 75.11 C ATOM 54 CE1 HIS A 4 -18.972 -5.455 -0.655 1.00 61.23 C ATOM 55 NE2 HIS A 4 -19.324 -4.284 -1.120 1.00 40.12 N ATOM 0 H HIS A 4 -18.831 -7.979 -3.441 1.00 3.13 H new ATOM 0 HA HIS A 4 -20.885 -7.547 -5.370 1.00 50.42 H new ATOM 0 HB2 HIS A 4 -21.836 -5.987 -3.792 1.00 0.30 H new ATOM 0 HB3 HIS A 4 -21.398 -7.482 -2.989 1.00 0.30 H new ATOM 0 HD2 HIS A 4 -20.564 -3.686 -2.817 1.00 75.11 H new ATOM 0 HE1 HIS A 4 -18.346 -5.628 0.208 1.00 61.23 H new ATOM 0 HE2 HIS A 4 -19.051 -3.383 -0.727 1.00 40.12 H new ATOM 64 N HIS A 5 -19.983 -5.773 -6.748 1.00 72.10 N ATOM 65 CA HIS A 5 -19.569 -4.664 -7.565 1.00 61.34 C ATOM 66 C HIS A 5 -20.603 -3.573 -7.556 1.00 52.31 C ATOM 67 O HIS A 5 -21.521 -3.546 -8.375 1.00 41.14 O ATOM 68 CB HIS A 5 -19.158 -5.063 -8.993 1.00 2.42 C ATOM 69 CG HIS A 5 -17.835 -5.772 -9.085 1.00 65.22 C ATOM 70 ND1 HIS A 5 -17.401 -6.928 -8.535 1.00 74.02 N flip ATOM 71 CD2 HIS A 5 -16.781 -5.299 -9.838 1.00 4.22 C flip ATOM 72 CE1 HIS A 5 -16.117 -7.121 -8.961 1.00 62.20 C flip ATOM 73 NE2 HIS A 5 -15.765 -6.127 -9.740 1.00 64.11 N flip ATOM 0 H HIS A 5 -20.547 -6.473 -7.230 1.00 72.10 H new ATOM 0 HA HIS A 5 -18.659 -4.273 -7.110 1.00 61.34 H new ATOM 0 HB2 HIS A 5 -19.931 -5.706 -9.414 1.00 2.42 H new ATOM 0 HB3 HIS A 5 -19.119 -4.166 -9.611 1.00 2.42 H new ATOM 0 HD1 HIS A 5 -17.933 -7.542 -7.917 1.00 74.02 H new ATOM 0 HD2 HIS A 5 -16.789 -4.388 -10.419 1.00 4.22 H new ATOM 0 HE1 HIS A 5 -15.491 -7.960 -8.697 1.00 62.20 H new ATOM 82 N HIS A 6 -20.482 -2.733 -6.562 1.00 73.50 N ATOM 83 CA HIS A 6 -21.307 -1.557 -6.355 1.00 62.31 C ATOM 84 C HIS A 6 -20.414 -0.518 -5.790 1.00 31.22 C ATOM 85 O HIS A 6 -19.674 -0.803 -4.835 1.00 15.32 O ATOM 86 CB HIS A 6 -22.494 -1.805 -5.410 1.00 32.21 C ATOM 87 CG HIS A 6 -23.553 -2.701 -5.967 1.00 74.41 C ATOM 88 ND1 HIS A 6 -23.899 -3.900 -5.400 1.00 23.14 N ATOM 89 CD2 HIS A 6 -24.375 -2.541 -7.027 1.00 33.22 C ATOM 90 CE1 HIS A 6 -24.880 -4.440 -6.084 1.00 14.21 C ATOM 91 NE2 HIS A 6 -25.189 -3.638 -7.075 1.00 63.42 N ATOM 0 H HIS A 6 -19.774 -2.850 -5.837 1.00 73.50 H new ATOM 0 HA HIS A 6 -21.751 -1.256 -7.304 1.00 62.31 H new ATOM 0 HB2 HIS A 6 -22.119 -2.239 -4.483 1.00 32.21 H new ATOM 0 HB3 HIS A 6 -22.945 -0.846 -5.154 1.00 32.21 H new ATOM 0 HD2 HIS A 6 -24.387 -1.703 -7.709 1.00 33.22 H new ATOM 0 HE1 HIS A 6 -25.354 -5.386 -5.867 1.00 14.21 H new ATOM 0 HE2 HIS A 6 -25.918 -3.806 -7.768 1.00 63.42 H new ATOM 100 N HIS A 7 -20.489 0.670 -6.341 1.00 73.32 N ATOM 101 CA HIS A 7 -19.524 1.727 -6.089 1.00 45.31 C ATOM 102 C HIS A 7 -18.237 1.384 -6.782 1.00 53.10 C ATOM 103 O HIS A 7 -17.448 0.565 -6.302 1.00 32.12 O ATOM 104 CB HIS A 7 -19.287 2.070 -4.596 1.00 2.34 C ATOM 105 CG HIS A 7 -20.435 2.732 -3.919 1.00 33.45 C ATOM 106 ND1 HIS A 7 -20.639 4.080 -3.984 1.00 35.32 N ATOM 107 CD2 HIS A 7 -21.431 2.239 -3.152 1.00 11.13 C ATOM 108 CE1 HIS A 7 -21.703 4.403 -3.292 1.00 21.34 C ATOM 109 NE2 HIS A 7 -22.206 3.304 -2.773 1.00 14.44 N ATOM 0 H HIS A 7 -21.231 0.939 -6.987 1.00 73.32 H new ATOM 0 HA HIS A 7 -19.955 2.641 -6.497 1.00 45.31 H new ATOM 0 HB2 HIS A 7 -19.048 1.152 -4.060 1.00 2.34 H new ATOM 0 HB3 HIS A 7 -18.415 2.720 -4.521 1.00 2.34 H new ATOM 0 HD1 HIS A 7 -20.051 4.738 -4.495 1.00 35.32 H new ATOM 0 HD2 HIS A 7 -21.587 1.204 -2.888 1.00 11.13 H new ATOM 0 HE1 HIS A 7 -22.099 5.400 -3.169 1.00 21.34 H new ATOM 118 N LEU A 8 -18.033 1.996 -7.918 1.00 64.53 N ATOM 119 CA LEU A 8 -16.870 1.730 -8.740 1.00 61.31 C ATOM 120 C LEU A 8 -15.798 2.758 -8.407 1.00 12.33 C ATOM 121 O LEU A 8 -14.821 2.960 -9.138 1.00 10.13 O ATOM 122 CB LEU A 8 -17.266 1.767 -10.231 1.00 50.45 C ATOM 123 CG LEU A 8 -16.179 1.380 -11.251 1.00 45.33 C ATOM 124 CD1 LEU A 8 -15.659 -0.028 -10.987 1.00 22.44 C ATOM 125 CD2 LEU A 8 -16.723 1.483 -12.662 1.00 12.43 C ATOM 0 H LEU A 8 -18.667 2.695 -8.305 1.00 64.53 H new ATOM 0 HA LEU A 8 -16.470 0.736 -8.537 1.00 61.31 H new ATOM 0 HB2 LEU A 8 -18.117 1.100 -10.373 1.00 50.45 H new ATOM 0 HB3 LEU A 8 -17.608 2.775 -10.466 1.00 50.45 H new ATOM 0 HG LEU A 8 -15.347 2.075 -11.141 1.00 45.33 H new ATOM 0 HD11 LEU A 8 -14.893 -0.276 -11.721 1.00 22.44 H new ATOM 0 HD12 LEU A 8 -15.231 -0.076 -9.986 1.00 22.44 H new ATOM 0 HD13 LEU A 8 -16.481 -0.740 -11.065 1.00 22.44 H new ATOM 0 HD21 LEU A 8 -15.945 1.207 -13.373 1.00 12.43 H new ATOM 0 HD22 LEU A 8 -17.573 0.810 -12.774 1.00 12.43 H new ATOM 0 HD23 LEU A 8 -17.044 2.507 -12.855 1.00 12.43 H new ATOM 137 N GLU A 9 -15.991 3.396 -7.289 1.00 61.32 N ATOM 138 CA GLU A 9 -15.063 4.329 -6.776 1.00 2.11 C ATOM 139 C GLU A 9 -13.912 3.573 -6.134 1.00 51.15 C ATOM 140 O GLU A 9 -14.001 3.128 -4.980 1.00 20.04 O ATOM 141 CB GLU A 9 -15.706 5.295 -5.751 1.00 34.42 C ATOM 142 CG GLU A 9 -16.878 6.154 -6.268 1.00 13.24 C ATOM 143 CD GLU A 9 -18.157 5.376 -6.515 1.00 32.43 C ATOM 144 OE1 GLU A 9 -18.363 4.868 -7.625 1.00 11.21 O ATOM 145 OE2 GLU A 9 -18.969 5.262 -5.593 1.00 31.01 O ATOM 0 H GLU A 9 -16.818 3.271 -6.706 1.00 61.32 H new ATOM 0 HA GLU A 9 -14.702 4.941 -7.603 1.00 2.11 H new ATOM 0 HB2 GLU A 9 -16.059 4.709 -4.902 1.00 34.42 H new ATOM 0 HB3 GLU A 9 -14.930 5.963 -5.377 1.00 34.42 H new ATOM 0 HG2 GLU A 9 -17.081 6.945 -5.546 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -16.576 6.640 -7.196 1.00 13.24 H new ATOM 152 N LEU A 10 -12.891 3.332 -6.920 1.00 62.11 N ATOM 153 CA LEU A 10 -11.682 2.697 -6.466 1.00 14.24 C ATOM 154 C LEU A 10 -10.506 3.526 -6.913 1.00 74.25 C ATOM 155 O LEU A 10 -10.262 3.686 -8.113 1.00 10.23 O ATOM 156 CB LEU A 10 -11.521 1.223 -6.953 1.00 14.50 C ATOM 157 CG LEU A 10 -12.505 0.142 -6.407 1.00 74.13 C ATOM 158 CD1 LEU A 10 -13.909 0.295 -6.952 1.00 43.11 C ATOM 159 CD2 LEU A 10 -11.978 -1.255 -6.677 1.00 40.42 C ATOM 0 H LEU A 10 -12.879 3.577 -7.910 1.00 62.11 H new ATOM 0 HA LEU A 10 -11.733 2.642 -5.379 1.00 14.24 H new ATOM 0 HB2 LEU A 10 -11.601 1.223 -8.040 1.00 14.50 H new ATOM 0 HB3 LEU A 10 -10.508 0.902 -6.708 1.00 14.50 H new ATOM 0 HG LEU A 10 -12.566 0.296 -5.330 1.00 74.13 H new ATOM 0 HD11 LEU A 10 -14.547 -0.485 -6.537 1.00 43.11 H new ATOM 0 HD12 LEU A 10 -14.303 1.273 -6.674 1.00 43.11 H new ATOM 0 HD13 LEU A 10 -13.889 0.207 -8.038 1.00 43.11 H new ATOM 0 HD21 LEU A 10 -12.681 -1.991 -6.287 1.00 40.42 H new ATOM 0 HD22 LEU A 10 -11.861 -1.398 -7.751 1.00 40.42 H new ATOM 0 HD23 LEU A 10 -11.013 -1.381 -6.187 1.00 40.42 H new ATOM 171 N GLU A 11 -9.801 4.053 -5.962 1.00 51.43 N ATOM 172 CA GLU A 11 -8.671 4.928 -6.197 1.00 32.05 C ATOM 173 C GLU A 11 -7.567 4.520 -5.268 1.00 41.21 C ATOM 174 O GLU A 11 -7.827 4.180 -4.128 1.00 21.24 O ATOM 175 CB GLU A 11 -9.038 6.386 -5.898 1.00 0.23 C ATOM 176 CG GLU A 11 -10.128 6.981 -6.766 1.00 74.13 C ATOM 177 CD GLU A 11 -10.396 8.424 -6.411 1.00 30.35 C ATOM 178 OE1 GLU A 11 -9.539 9.285 -6.697 1.00 4.23 O ATOM 179 OE2 GLU A 11 -11.468 8.734 -5.847 1.00 43.21 O ATOM 0 H GLU A 11 -9.991 3.889 -4.973 1.00 51.43 H new ATOM 0 HA GLU A 11 -8.368 4.848 -7.241 1.00 32.05 H new ATOM 0 HB2 GLU A 11 -9.350 6.456 -4.856 1.00 0.23 H new ATOM 0 HB3 GLU A 11 -8.141 6.996 -6.004 1.00 0.23 H new ATOM 0 HG2 GLU A 11 -9.838 6.912 -7.814 1.00 74.13 H new ATOM 0 HG3 GLU A 11 -11.044 6.401 -6.650 1.00 74.13 H new ATOM 186 N VAL A 12 -6.356 4.530 -5.723 1.00 72.42 N ATOM 187 CA VAL A 12 -5.262 4.168 -4.860 1.00 52.43 C ATOM 188 C VAL A 12 -4.160 5.156 -5.096 1.00 23.34 C ATOM 189 O VAL A 12 -3.758 5.374 -6.233 1.00 24.32 O ATOM 190 CB VAL A 12 -4.726 2.731 -5.128 1.00 63.11 C ATOM 191 CG1 VAL A 12 -3.797 2.268 -4.017 1.00 73.01 C ATOM 192 CG2 VAL A 12 -5.843 1.742 -5.318 1.00 43.54 C ATOM 0 H VAL A 12 -6.094 4.781 -6.676 1.00 72.42 H new ATOM 0 HA VAL A 12 -5.617 4.182 -3.829 1.00 52.43 H new ATOM 0 HB VAL A 12 -4.157 2.778 -6.056 1.00 63.11 H new ATOM 0 HG11 VAL A 12 -3.441 1.261 -4.236 1.00 73.01 H new ATOM 0 HG12 VAL A 12 -2.947 2.946 -3.948 1.00 73.01 H new ATOM 0 HG13 VAL A 12 -4.336 2.264 -3.070 1.00 73.01 H new ATOM 0 HG21 VAL A 12 -5.425 0.752 -5.502 1.00 43.54 H new ATOM 0 HG22 VAL A 12 -6.461 1.714 -4.420 1.00 43.54 H new ATOM 0 HG23 VAL A 12 -6.454 2.042 -6.169 1.00 43.54 H new ATOM 202 N HIS A 13 -3.694 5.770 -4.052 1.00 51.53 N ATOM 203 CA HIS A 13 -2.645 6.754 -4.177 1.00 14.42 C ATOM 204 C HIS A 13 -1.781 6.722 -2.970 1.00 52.35 C ATOM 205 O HIS A 13 -2.217 6.277 -1.911 1.00 52.45 O ATOM 206 CB HIS A 13 -3.198 8.187 -4.395 1.00 53.33 C ATOM 207 CG HIS A 13 -3.983 8.765 -3.253 1.00 24.11 C ATOM 208 ND1 HIS A 13 -3.592 9.893 -2.573 1.00 31.23 N ATOM 209 CD2 HIS A 13 -5.140 8.377 -2.688 1.00 51.01 C ATOM 210 CE1 HIS A 13 -4.469 10.168 -1.640 1.00 14.44 C ATOM 211 NE2 HIS A 13 -5.419 9.266 -1.684 1.00 20.21 N ATOM 0 H HIS A 13 -4.020 5.612 -3.098 1.00 51.53 H new ATOM 0 HA HIS A 13 -2.061 6.497 -5.061 1.00 14.42 H new ATOM 0 HB2 HIS A 13 -2.360 8.851 -4.608 1.00 53.33 H new ATOM 0 HB3 HIS A 13 -3.833 8.180 -5.281 1.00 53.33 H new ATOM 0 HD2 HIS A 13 -5.738 7.524 -2.973 1.00 51.01 H new ATOM 0 HE1 HIS A 13 -4.418 10.998 -0.951 1.00 14.44 H new ATOM 0 HE2 HIS A 13 -6.233 9.232 -1.071 1.00 20.21 H new ATOM 220 N ILE A 14 -0.574 7.166 -3.111 1.00 44.13 N ATOM 221 CA ILE A 14 0.324 7.249 -1.995 1.00 21.43 C ATOM 222 C ILE A 14 0.451 8.715 -1.586 1.00 72.12 C ATOM 223 O ILE A 14 1.186 9.476 -2.223 1.00 43.45 O ATOM 224 CB ILE A 14 1.722 6.659 -2.337 1.00 71.53 C ATOM 225 CG1 ILE A 14 1.568 5.208 -2.802 1.00 52.22 C ATOM 226 CG2 ILE A 14 2.655 6.728 -1.126 1.00 25.03 C ATOM 227 CD1 ILE A 14 2.870 4.523 -3.157 1.00 0.03 C ATOM 0 H ILE A 14 -0.180 7.481 -3.997 1.00 44.13 H new ATOM 0 HA ILE A 14 -0.078 6.659 -1.171 1.00 21.43 H new ATOM 0 HB ILE A 14 2.163 7.251 -3.138 1.00 71.53 H new ATOM 0 HG12 ILE A 14 1.074 4.638 -2.015 1.00 52.22 H new ATOM 0 HG13 ILE A 14 0.911 5.186 -3.672 1.00 52.22 H new ATOM 0 HG21 ILE A 14 3.626 6.309 -1.391 1.00 25.03 H new ATOM 0 HG22 ILE A 14 2.779 7.767 -0.821 1.00 25.03 H new ATOM 0 HG23 ILE A 14 2.226 6.157 -0.303 1.00 25.03 H new ATOM 0 HD11 ILE A 14 2.668 3.500 -3.476 1.00 0.03 H new ATOM 0 HD12 ILE A 14 3.358 5.066 -3.967 1.00 0.03 H new ATOM 0 HD13 ILE A 14 3.523 4.509 -2.285 1.00 0.03 H new ATOM 239 N PRO A 15 -0.321 9.159 -0.565 1.00 61.10 N ATOM 240 CA PRO A 15 -0.309 10.556 -0.124 1.00 14.42 C ATOM 241 C PRO A 15 1.055 11.024 0.382 1.00 12.20 C ATOM 242 O PRO A 15 1.397 12.195 0.233 1.00 41.43 O ATOM 243 CB PRO A 15 -1.350 10.601 1.006 1.00 54.32 C ATOM 244 CG PRO A 15 -1.518 9.184 1.433 1.00 44.42 C ATOM 245 CD PRO A 15 -1.290 8.356 0.213 1.00 34.04 C ATOM 0 HA PRO A 15 -0.534 11.226 -0.954 1.00 14.42 H new ATOM 0 HB2 PRO A 15 -1.008 11.224 1.832 1.00 54.32 H new ATOM 0 HB3 PRO A 15 -2.293 11.022 0.657 1.00 54.32 H new ATOM 0 HG2 PRO A 15 -0.807 8.926 2.218 1.00 44.42 H new ATOM 0 HG3 PRO A 15 -2.515 9.015 1.839 1.00 44.42 H new ATOM 0 HD2 PRO A 15 -0.890 7.373 0.462 1.00 34.04 H new ATOM 0 HD3 PRO A 15 -2.214 8.193 -0.341 1.00 34.04 H new ATOM 253 N SER A 16 1.843 10.116 0.952 1.00 11.11 N ATOM 254 CA SER A 16 3.142 10.492 1.465 1.00 13.42 C ATOM 255 C SER A 16 4.004 9.280 1.809 1.00 55.35 C ATOM 256 O SER A 16 3.486 8.186 2.137 1.00 42.52 O ATOM 257 CB SER A 16 2.977 11.384 2.714 1.00 51.51 C ATOM 258 OG SER A 16 2.221 10.719 3.732 1.00 1.32 O ATOM 0 H SER A 16 1.603 9.131 1.066 1.00 11.11 H new ATOM 0 HA SER A 16 3.653 11.044 0.676 1.00 13.42 H new ATOM 0 HB2 SER A 16 3.959 11.652 3.104 1.00 51.51 H new ATOM 0 HB3 SER A 16 2.479 12.313 2.437 1.00 51.51 H new ATOM 0 HG SER A 16 2.134 11.307 4.511 1.00 1.32 H new ATOM 264 N VAL A 17 5.301 9.463 1.703 1.00 1.24 N ATOM 265 CA VAL A 17 6.259 8.504 2.173 1.00 2.35 C ATOM 266 C VAL A 17 6.899 9.152 3.369 1.00 61.21 C ATOM 267 O VAL A 17 7.031 10.380 3.406 1.00 33.12 O ATOM 268 CB VAL A 17 7.393 8.201 1.148 1.00 11.21 C ATOM 269 CG1 VAL A 17 8.235 7.014 1.589 1.00 34.43 C ATOM 270 CG2 VAL A 17 6.867 7.973 -0.229 1.00 72.34 C ATOM 0 H VAL A 17 5.719 10.293 1.282 1.00 1.24 H new ATOM 0 HA VAL A 17 5.752 7.560 2.371 1.00 2.35 H new ATOM 0 HB VAL A 17 8.025 9.088 1.118 1.00 11.21 H new ATOM 0 HG11 VAL A 17 9.017 6.829 0.852 1.00 34.43 H new ATOM 0 HG12 VAL A 17 8.691 7.230 2.555 1.00 34.43 H new ATOM 0 HG13 VAL A 17 7.602 6.131 1.676 1.00 34.43 H new ATOM 0 HG21 VAL A 17 7.696 7.766 -0.906 1.00 72.34 H new ATOM 0 HG22 VAL A 17 6.184 7.124 -0.222 1.00 72.34 H new ATOM 0 HG23 VAL A 17 6.336 8.863 -0.568 1.00 72.34 H new ATOM 280 N GLY A 18 7.272 8.393 4.329 1.00 43.42 N ATOM 281 CA GLY A 18 7.878 8.967 5.461 1.00 35.40 C ATOM 282 C GLY A 18 8.737 7.996 6.150 1.00 2.34 C ATOM 283 O GLY A 18 8.460 6.794 6.111 1.00 4.31 O ATOM 0 H GLY A 18 7.168 7.379 4.352 1.00 43.42 H new ATOM 0 HA2 GLY A 18 8.469 9.832 5.161 1.00 35.40 H new ATOM 0 HA3 GLY A 18 7.110 9.327 6.145 1.00 35.40 H new ATOM 287 N PRO A 19 9.811 8.448 6.758 1.00 20.24 N ATOM 288 CA PRO A 19 10.651 7.586 7.526 1.00 42.32 C ATOM 289 C PRO A 19 9.949 7.188 8.802 1.00 63.25 C ATOM 290 O PRO A 19 9.700 8.022 9.678 1.00 1.43 O ATOM 291 CB PRO A 19 11.872 8.426 7.830 1.00 22.12 C ATOM 292 CG PRO A 19 11.395 9.835 7.763 1.00 43.43 C ATOM 293 CD PRO A 19 10.294 9.846 6.747 1.00 40.01 C ATOM 0 HA PRO A 19 10.905 6.664 7.003 1.00 42.32 H new ATOM 0 HB2 PRO A 19 12.277 8.192 8.815 1.00 22.12 H new ATOM 0 HB3 PRO A 19 12.667 8.243 7.107 1.00 22.12 H new ATOM 0 HG2 PRO A 19 11.034 10.172 8.735 1.00 43.43 H new ATOM 0 HG3 PRO A 19 12.202 10.508 7.472 1.00 43.43 H new ATOM 0 HD2 PRO A 19 9.504 10.547 7.017 1.00 40.01 H new ATOM 0 HD3 PRO A 19 10.658 10.139 5.762 1.00 40.01 H new ATOM 301 N GLU A 20 9.584 5.953 8.889 1.00 11.34 N ATOM 302 CA GLU A 20 8.876 5.471 10.029 1.00 71.22 C ATOM 303 C GLU A 20 9.869 5.056 11.072 1.00 71.14 C ATOM 304 O GLU A 20 10.948 4.545 10.738 1.00 3.33 O ATOM 305 CB GLU A 20 8.004 4.275 9.632 1.00 22.20 C ATOM 306 CG GLU A 20 7.149 3.707 10.758 1.00 32.11 C ATOM 307 CD GLU A 20 6.170 4.716 11.311 1.00 72.32 C ATOM 308 OE1 GLU A 20 5.053 4.825 10.774 1.00 13.22 O ATOM 309 OE2 GLU A 20 6.502 5.412 12.302 1.00 0.11 O ATOM 0 H GLU A 20 9.767 5.249 8.174 1.00 11.34 H new ATOM 0 HA GLU A 20 8.232 6.256 10.425 1.00 71.22 H new ATOM 0 HB2 GLU A 20 7.350 4.576 8.814 1.00 22.20 H new ATOM 0 HB3 GLU A 20 8.649 3.484 9.250 1.00 22.20 H new ATOM 0 HG2 GLU A 20 6.602 2.839 10.391 1.00 32.11 H new ATOM 0 HG3 GLU A 20 7.798 3.358 11.561 1.00 32.11 H new ATOM 316 N ALA A 21 9.568 5.318 12.314 1.00 64.42 N ATOM 317 CA ALA A 21 10.395 4.804 13.356 1.00 4.42 C ATOM 318 C ALA A 21 10.029 3.360 13.525 1.00 52.10 C ATOM 319 O ALA A 21 9.036 3.017 14.173 1.00 52.03 O ATOM 320 CB ALA A 21 10.186 5.554 14.655 1.00 30.25 C ATOM 0 H ALA A 21 8.770 5.875 12.620 1.00 64.42 H new ATOM 0 HA ALA A 21 11.446 4.922 13.094 1.00 4.42 H new ATOM 0 HB1 ALA A 21 10.833 5.134 15.426 1.00 30.25 H new ATOM 0 HB2 ALA A 21 10.429 6.607 14.511 1.00 30.25 H new ATOM 0 HB3 ALA A 21 9.145 5.462 14.965 1.00 30.25 H new ATOM 326 N GLU A 22 10.784 2.537 12.903 1.00 21.41 N ATOM 327 CA GLU A 22 10.557 1.143 12.917 1.00 35.35 C ATOM 328 C GLU A 22 11.846 0.458 13.214 1.00 1.23 C ATOM 329 O GLU A 22 12.908 1.096 13.217 1.00 12.42 O ATOM 330 CB GLU A 22 10.015 0.688 11.552 1.00 44.10 C ATOM 331 CG GLU A 22 10.970 0.949 10.403 1.00 72.04 C ATOM 332 CD GLU A 22 10.425 0.519 9.071 1.00 61.44 C ATOM 333 OE1 GLU A 22 10.071 -0.675 8.925 1.00 74.14 O ATOM 334 OE2 GLU A 22 10.318 1.365 8.164 1.00 14.32 O ATOM 0 H GLU A 22 11.597 2.820 12.356 1.00 21.41 H new ATOM 0 HA GLU A 22 9.821 0.890 13.680 1.00 35.35 H new ATOM 0 HB2 GLU A 22 9.794 -0.379 11.595 1.00 44.10 H new ATOM 0 HB3 GLU A 22 9.074 1.201 11.355 1.00 44.10 H new ATOM 0 HG2 GLU A 22 11.202 2.013 10.367 1.00 72.04 H new ATOM 0 HG3 GLU A 22 11.907 0.425 10.591 1.00 72.04 H new ATOM 341 N GLY A 23 11.781 -0.795 13.454 1.00 73.03 N ATOM 342 CA GLY A 23 12.973 -1.530 13.648 1.00 44.44 C ATOM 343 C GLY A 23 12.746 -3.008 13.592 1.00 43.21 C ATOM 344 O GLY A 23 12.642 -3.649 14.639 1.00 55.32 O ATOM 0 H GLY A 23 10.918 -1.335 13.521 1.00 73.03 H new ATOM 0 HA2 GLY A 23 13.699 -1.247 12.886 1.00 44.44 H new ATOM 0 HA3 GLY A 23 13.406 -1.268 14.613 1.00 44.44 H new ATOM 348 N PRO A 24 12.645 -3.606 12.391 1.00 13.22 N ATOM 349 CA PRO A 24 12.547 -5.059 12.265 1.00 1.32 C ATOM 350 C PRO A 24 13.952 -5.661 12.321 1.00 71.01 C ATOM 351 O PRO A 24 14.885 -5.043 12.883 1.00 31.52 O ATOM 352 CB PRO A 24 11.948 -5.224 10.864 1.00 50.31 C ATOM 353 CG PRO A 24 12.502 -4.081 10.090 1.00 63.45 C ATOM 354 CD PRO A 24 12.574 -2.923 11.042 1.00 72.10 C ATOM 0 HA PRO A 24 11.961 -5.545 13.045 1.00 1.32 H new ATOM 0 HB2 PRO A 24 12.231 -6.179 10.421 1.00 50.31 H new ATOM 0 HB3 PRO A 24 10.859 -5.195 10.891 1.00 50.31 H new ATOM 0 HG2 PRO A 24 13.489 -4.321 9.695 1.00 63.45 H new ATOM 0 HG3 PRO A 24 11.866 -3.844 9.237 1.00 63.45 H new ATOM 0 HD2 PRO A 24 13.449 -2.300 10.857 1.00 72.10 H new ATOM 0 HD3 PRO A 24 11.700 -2.277 10.961 1.00 72.10 H new ATOM 362 N ARG A 25 14.129 -6.838 11.775 1.00 63.15 N ATOM 363 CA ARG A 25 15.456 -7.394 11.684 1.00 33.44 C ATOM 364 C ARG A 25 16.126 -6.762 10.494 1.00 13.15 C ATOM 365 O ARG A 25 15.453 -6.058 9.721 1.00 72.40 O ATOM 366 CB ARG A 25 15.422 -8.907 11.524 1.00 20.32 C ATOM 367 CG ARG A 25 14.721 -9.623 12.652 1.00 54.20 C ATOM 368 CD ARG A 25 14.840 -11.124 12.507 1.00 14.24 C ATOM 369 NE ARG A 25 16.240 -11.566 12.571 1.00 63.55 N ATOM 370 CZ ARG A 25 16.714 -12.461 13.446 1.00 51.43 C ATOM 371 NH1 ARG A 25 15.922 -12.953 14.404 1.00 54.40 N ATOM 372 NH2 ARG A 25 17.985 -12.839 13.384 1.00 60.04 N ATOM 0 H ARG A 25 13.385 -7.422 11.393 1.00 63.15 H new ATOM 0 HA ARG A 25 16.005 -7.186 12.603 1.00 33.44 H new ATOM 0 HB2 ARG A 25 14.925 -9.153 10.586 1.00 20.32 H new ATOM 0 HB3 ARG A 25 16.444 -9.278 11.450 1.00 20.32 H new ATOM 0 HG2 ARG A 25 15.149 -9.312 13.605 1.00 54.20 H new ATOM 0 HG3 ARG A 25 13.669 -9.339 12.668 1.00 54.20 H new ATOM 0 HD2 ARG A 25 14.268 -11.612 13.296 1.00 14.24 H new ATOM 0 HD3 ARG A 25 14.403 -11.434 11.558 1.00 14.24 H new ATOM 0 HE ARG A 25 16.896 -11.163 11.902 1.00 63.55 H new ATOM 0 HH11 ARG A 25 14.951 -12.647 14.471 1.00 54.40 H new ATOM 0 HH12 ARG A 25 16.288 -13.635 15.068 1.00 54.40 H new ATOM 0 HH21 ARG A 25 18.599 -12.447 12.670 1.00 60.04 H new ATOM 0 HH22 ARG A 25 18.347 -13.521 14.050 1.00 60.04 H new ATOM 386 N GLN A 26 17.413 -6.977 10.329 1.00 71.50 N ATOM 387 CA GLN A 26 18.117 -6.414 9.197 1.00 65.14 C ATOM 388 C GLN A 26 17.515 -6.863 7.889 1.00 3.11 C ATOM 389 O GLN A 26 17.627 -8.023 7.490 1.00 3.44 O ATOM 390 CB GLN A 26 19.609 -6.675 9.255 1.00 12.13 C ATOM 391 CG GLN A 26 20.316 -5.925 10.364 1.00 72.22 C ATOM 392 CD GLN A 26 20.136 -4.419 10.240 1.00 74.41 C ATOM 393 OE1 GLN A 26 20.926 -3.734 9.579 1.00 72.00 O ATOM 394 NE2 GLN A 26 19.120 -3.887 10.882 1.00 61.51 N ATOM 0 H GLN A 26 17.990 -7.534 10.959 1.00 71.50 H new ATOM 0 HA GLN A 26 17.993 -5.333 9.256 1.00 65.14 H new ATOM 0 HB2 GLN A 26 19.777 -7.744 9.387 1.00 12.13 H new ATOM 0 HB3 GLN A 26 20.055 -6.398 8.300 1.00 12.13 H new ATOM 0 HG2 GLN A 26 19.932 -6.258 11.328 1.00 72.22 H new ATOM 0 HG3 GLN A 26 21.379 -6.166 10.344 1.00 72.22 H new ATOM 0 HE21 GLN A 26 18.488 -4.481 11.418 1.00 61.51 H new ATOM 0 HE22 GLN A 26 18.964 -2.880 10.844 1.00 61.51 H new ATOM 403 N SER A 27 16.833 -5.943 7.274 1.00 1.14 N ATOM 404 CA SER A 27 16.137 -6.151 6.060 1.00 43.21 C ATOM 405 C SER A 27 16.958 -5.594 4.890 1.00 23.10 C ATOM 406 O SER A 27 17.814 -4.728 5.098 1.00 64.32 O ATOM 407 CB SER A 27 14.764 -5.475 6.186 1.00 71.13 C ATOM 408 OG SER A 27 14.023 -6.065 7.245 1.00 61.13 O ATOM 0 H SER A 27 16.749 -4.990 7.628 1.00 1.14 H new ATOM 0 HA SER A 27 15.988 -7.212 5.862 1.00 43.21 H new ATOM 0 HB2 SER A 27 14.891 -4.408 6.371 1.00 71.13 H new ATOM 0 HB3 SER A 27 14.215 -5.573 5.249 1.00 71.13 H new ATOM 0 HG SER A 27 14.512 -5.955 8.087 1.00 61.13 H new ATOM 414 N PRO A 28 16.712 -6.077 3.644 1.00 10.54 N ATOM 415 CA PRO A 28 17.490 -5.669 2.452 1.00 13.30 C ATOM 416 C PRO A 28 17.416 -4.169 2.143 1.00 45.32 C ATOM 417 O PRO A 28 18.286 -3.625 1.453 1.00 45.23 O ATOM 418 CB PRO A 28 16.838 -6.458 1.307 1.00 44.21 C ATOM 419 CG PRO A 28 16.122 -7.585 1.964 1.00 34.02 C ATOM 420 CD PRO A 28 15.675 -7.076 3.297 1.00 32.42 C ATOM 0 HA PRO A 28 18.551 -5.870 2.603 1.00 13.30 H new ATOM 0 HB2 PRO A 28 16.149 -5.832 0.740 1.00 44.21 H new ATOM 0 HB3 PRO A 28 17.587 -6.824 0.605 1.00 44.21 H new ATOM 0 HG2 PRO A 28 15.270 -7.907 1.365 1.00 34.02 H new ATOM 0 HG3 PRO A 28 16.777 -8.449 2.077 1.00 34.02 H new ATOM 0 HD2 PRO A 28 14.684 -6.626 3.244 1.00 32.42 H new ATOM 0 HD3 PRO A 28 15.623 -7.875 4.036 1.00 32.42 H new ATOM 428 N GLU A 29 16.389 -3.509 2.649 1.00 73.42 N ATOM 429 CA GLU A 29 16.188 -2.093 2.376 1.00 21.24 C ATOM 430 C GLU A 29 17.027 -1.205 3.274 1.00 64.42 C ATOM 431 O GLU A 29 17.735 -0.321 2.783 1.00 53.32 O ATOM 432 CB GLU A 29 14.717 -1.711 2.482 1.00 12.14 C ATOM 433 CG GLU A 29 13.834 -2.450 1.505 1.00 43.23 C ATOM 434 CD GLU A 29 14.315 -2.300 0.085 1.00 11.41 C ATOM 435 OE1 GLU A 29 14.190 -1.208 -0.485 1.00 12.54 O ATOM 436 OE2 GLU A 29 14.865 -3.275 -0.460 1.00 23.23 O ATOM 0 H GLU A 29 15.681 -3.929 3.251 1.00 73.42 H new ATOM 0 HA GLU A 29 16.519 -1.929 1.351 1.00 21.24 H new ATOM 0 HB2 GLU A 29 14.370 -1.909 3.496 1.00 12.14 H new ATOM 0 HB3 GLU A 29 14.615 -0.639 2.314 1.00 12.14 H new ATOM 0 HG2 GLU A 29 13.807 -3.507 1.769 1.00 43.23 H new ATOM 0 HG3 GLU A 29 12.813 -2.075 1.584 1.00 43.23 H new ATOM 443 N LYS A 30 16.908 -1.415 4.604 1.00 64.14 N ATOM 444 CA LYS A 30 17.661 -0.653 5.642 1.00 33.42 C ATOM 445 C LYS A 30 17.075 0.735 5.855 1.00 1.15 C ATOM 446 O LYS A 30 16.944 1.194 6.992 1.00 74.45 O ATOM 447 CB LYS A 30 19.172 -0.601 5.368 1.00 54.21 C ATOM 448 CG LYS A 30 19.827 -1.984 5.352 1.00 22.44 C ATOM 449 CD LYS A 30 21.315 -1.940 5.007 1.00 53.44 C ATOM 450 CE LYS A 30 21.560 -1.408 3.596 1.00 32.30 C ATOM 451 NZ LYS A 30 22.986 -1.513 3.209 1.00 33.42 N ATOM 0 H LYS A 30 16.285 -2.121 4.996 1.00 64.14 H new ATOM 0 HA LYS A 30 17.542 -1.205 6.574 1.00 33.42 H new ATOM 0 HB2 LYS A 30 19.345 -0.113 4.409 1.00 54.21 H new ATOM 0 HB3 LYS A 30 19.652 0.013 6.130 1.00 54.21 H new ATOM 0 HG2 LYS A 30 19.701 -2.450 6.329 1.00 22.44 H new ATOM 0 HG3 LYS A 30 19.311 -2.615 4.628 1.00 22.44 H new ATOM 0 HD2 LYS A 30 21.836 -1.309 5.728 1.00 53.44 H new ATOM 0 HD3 LYS A 30 21.737 -2.941 5.095 1.00 53.44 H new ATOM 0 HE2 LYS A 30 20.949 -1.965 2.886 1.00 32.30 H new ATOM 0 HE3 LYS A 30 21.244 -0.366 3.540 1.00 32.30 H new ATOM 0 HZ1 LYS A 30 23.112 -1.142 2.246 1.00 33.42 H new ATOM 0 HZ2 LYS A 30 23.567 -0.961 3.872 1.00 33.42 H new ATOM 0 HZ3 LYS A 30 23.281 -2.510 3.238 1.00 33.42 H new ATOM 465 N SER A 31 16.699 1.383 4.776 1.00 23.12 N ATOM 466 CA SER A 31 16.017 2.636 4.845 1.00 43.14 C ATOM 467 C SER A 31 14.666 2.431 5.521 1.00 4.13 C ATOM 468 O SER A 31 13.749 1.787 4.959 1.00 62.42 O ATOM 469 CB SER A 31 15.818 3.198 3.448 1.00 55.55 C ATOM 470 OG SER A 31 17.068 3.350 2.783 1.00 24.34 O ATOM 0 H SER A 31 16.863 1.047 3.827 1.00 23.12 H new ATOM 0 HA SER A 31 16.612 3.343 5.423 1.00 43.14 H new ATOM 0 HB2 SER A 31 15.173 2.534 2.872 1.00 55.55 H new ATOM 0 HB3 SER A 31 15.312 4.162 3.507 1.00 55.55 H new ATOM 0 HG SER A 31 16.919 3.711 1.884 1.00 24.34 H new ATOM 476 N HIS A 32 14.563 2.898 6.733 1.00 3.33 N ATOM 477 CA HIS A 32 13.334 2.800 7.497 1.00 32.25 C ATOM 478 C HIS A 32 12.315 3.856 7.020 1.00 62.42 C ATOM 479 O HIS A 32 12.203 4.947 7.572 1.00 65.30 O ATOM 480 CB HIS A 32 13.582 2.852 9.035 1.00 23.22 C ATOM 481 CG HIS A 32 14.241 4.094 9.577 1.00 65.54 C ATOM 482 ND1 HIS A 32 13.544 5.085 10.217 1.00 13.23 N ATOM 483 CD2 HIS A 32 15.532 4.470 9.614 1.00 2.02 C ATOM 484 CE1 HIS A 32 14.371 6.016 10.620 1.00 64.34 C ATOM 485 NE2 HIS A 32 15.588 5.670 10.268 1.00 64.01 N ATOM 0 H HIS A 32 15.326 3.360 7.228 1.00 3.33 H new ATOM 0 HA HIS A 32 12.901 1.818 7.308 1.00 32.25 H new ATOM 0 HB2 HIS A 32 12.623 2.730 9.538 1.00 23.22 H new ATOM 0 HB3 HIS A 32 14.197 1.995 9.309 1.00 23.22 H new ATOM 0 HD1 HIS A 32 12.534 5.096 10.358 1.00 13.23 H new ATOM 0 HD2 HIS A 32 16.369 3.925 9.203 1.00 2.02 H new ATOM 0 HE1 HIS A 32 14.099 6.916 11.152 1.00 64.34 H new ATOM 494 N MET A 33 11.657 3.545 5.931 1.00 21.22 N ATOM 495 CA MET A 33 10.704 4.427 5.289 1.00 51.42 C ATOM 496 C MET A 33 9.537 3.683 4.801 1.00 20.45 C ATOM 497 O MET A 33 9.677 2.663 4.114 1.00 23.32 O ATOM 498 CB MET A 33 11.320 5.173 4.118 1.00 53.42 C ATOM 499 CG MET A 33 12.155 6.367 4.489 1.00 21.53 C ATOM 500 SD MET A 33 13.045 7.035 3.114 1.00 14.43 S ATOM 501 CE MET A 33 11.654 7.566 2.167 1.00 75.04 C ATOM 0 H MET A 33 11.769 2.651 5.452 1.00 21.22 H new ATOM 0 HA MET A 33 10.396 5.146 6.048 1.00 51.42 H new ATOM 0 HB2 MET A 33 11.939 4.478 3.550 1.00 53.42 H new ATOM 0 HB3 MET A 33 10.519 5.501 3.455 1.00 53.42 H new ATOM 0 HG2 MET A 33 11.510 7.139 4.908 1.00 21.53 H new ATOM 0 HG3 MET A 33 12.861 6.083 5.269 1.00 21.53 H new ATOM 0 HE1 MET A 33 11.858 8.548 1.740 1.00 75.04 H new ATOM 0 HE2 MET A 33 11.467 6.853 1.364 1.00 75.04 H new ATOM 0 HE3 MET A 33 10.777 7.626 2.811 1.00 75.04 H new ATOM 511 N VAL A 34 8.401 4.190 5.103 1.00 71.34 N ATOM 512 CA VAL A 34 7.204 3.580 4.674 1.00 33.41 C ATOM 513 C VAL A 34 6.438 4.524 3.792 1.00 21.35 C ATOM 514 O VAL A 34 6.406 5.741 4.029 1.00 1.24 O ATOM 515 CB VAL A 34 6.302 3.105 5.856 1.00 71.22 C ATOM 516 CG1 VAL A 34 7.034 2.122 6.744 1.00 22.23 C ATOM 517 CG2 VAL A 34 5.787 4.282 6.677 1.00 25.24 C ATOM 0 H VAL A 34 8.276 5.039 5.654 1.00 71.34 H new ATOM 0 HA VAL A 34 7.486 2.688 4.115 1.00 33.41 H new ATOM 0 HB VAL A 34 5.442 2.598 5.419 1.00 71.22 H new ATOM 0 HG11 VAL A 34 6.380 1.810 7.558 1.00 22.23 H new ATOM 0 HG12 VAL A 34 7.326 1.250 6.158 1.00 22.23 H new ATOM 0 HG13 VAL A 34 7.924 2.597 7.156 1.00 22.23 H new ATOM 0 HG21 VAL A 34 5.163 3.913 7.491 1.00 25.24 H new ATOM 0 HG22 VAL A 34 6.631 4.835 7.089 1.00 25.24 H new ATOM 0 HG23 VAL A 34 5.198 4.941 6.039 1.00 25.24 H new ATOM 527 N PHE A 35 5.876 3.996 2.769 1.00 34.12 N ATOM 528 CA PHE A 35 5.018 4.751 1.940 1.00 42.24 C ATOM 529 C PHE A 35 3.610 4.321 2.209 1.00 51.13 C ATOM 530 O PHE A 35 3.316 3.125 2.256 1.00 75.30 O ATOM 531 CB PHE A 35 5.422 4.717 0.441 1.00 24.35 C ATOM 532 CG PHE A 35 5.649 3.362 -0.155 1.00 50.11 C ATOM 533 CD1 PHE A 35 4.606 2.620 -0.629 1.00 65.13 C ATOM 534 CD2 PHE A 35 6.922 2.849 -0.237 1.00 43.20 C ATOM 535 CE1 PHE A 35 4.811 1.376 -1.177 1.00 22.40 C ATOM 536 CE2 PHE A 35 7.148 1.603 -0.781 1.00 62.03 C ATOM 537 CZ PHE A 35 6.089 0.862 -1.254 1.00 30.23 C ATOM 0 H PHE A 35 5.999 3.025 2.483 1.00 34.12 H new ATOM 0 HA PHE A 35 5.109 5.808 2.189 1.00 42.24 H new ATOM 0 HB2 PHE A 35 4.643 5.218 -0.134 1.00 24.35 H new ATOM 0 HB3 PHE A 35 6.334 5.301 0.319 1.00 24.35 H new ATOM 0 HD1 PHE A 35 3.603 3.017 -0.573 1.00 65.13 H new ATOM 0 HD2 PHE A 35 7.755 3.430 0.130 1.00 43.20 H new ATOM 0 HE1 PHE A 35 3.974 0.802 -1.546 1.00 22.40 H new ATOM 0 HE2 PHE A 35 8.152 1.210 -0.836 1.00 62.03 H new ATOM 0 HZ PHE A 35 6.257 -0.115 -1.682 1.00 30.23 H new ATOM 547 N ARG A 36 2.766 5.270 2.467 1.00 4.22 N ATOM 548 CA ARG A 36 1.408 4.976 2.817 1.00 21.40 C ATOM 549 C ARG A 36 0.582 4.818 1.579 1.00 61.44 C ATOM 550 O ARG A 36 0.269 5.799 0.911 1.00 74.33 O ATOM 551 CB ARG A 36 0.783 6.060 3.719 1.00 21.04 C ATOM 552 CG ARG A 36 1.387 6.227 5.122 1.00 44.20 C ATOM 553 CD ARG A 36 2.771 6.851 5.105 1.00 73.21 C ATOM 554 NE ARG A 36 3.313 6.996 6.453 1.00 64.25 N ATOM 555 CZ ARG A 36 4.115 7.983 6.861 1.00 10.24 C ATOM 556 NH1 ARG A 36 4.414 8.992 6.039 1.00 20.13 N ATOM 557 NH2 ARG A 36 4.585 7.974 8.101 1.00 3.11 N ATOM 0 H ARG A 36 2.994 6.264 2.442 1.00 4.22 H new ATOM 0 HA ARG A 36 1.419 4.044 3.382 1.00 21.40 H new ATOM 0 HB2 ARG A 36 0.857 7.016 3.201 1.00 21.04 H new ATOM 0 HB3 ARG A 36 -0.278 5.839 3.830 1.00 21.04 H new ATOM 0 HG2 ARG A 36 0.723 6.846 5.725 1.00 44.20 H new ATOM 0 HG3 ARG A 36 1.441 5.252 5.606 1.00 44.20 H new ATOM 0 HD2 ARG A 36 3.442 6.234 4.507 1.00 73.21 H new ATOM 0 HD3 ARG A 36 2.724 7.828 4.624 1.00 73.21 H new ATOM 0 HE ARG A 36 3.058 6.286 7.139 1.00 64.25 H new ATOM 0 HH11 ARG A 36 4.029 9.011 5.094 1.00 20.13 H new ATOM 0 HH12 ARG A 36 5.027 9.743 6.356 1.00 20.13 H new ATOM 0 HH21 ARG A 36 4.334 7.217 8.736 1.00 3.11 H new ATOM 0 HH22 ARG A 36 5.198 8.724 8.420 1.00 3.11 H new ATOM 571 N VAL A 37 0.255 3.604 1.259 1.00 74.25 N ATOM 572 CA VAL A 37 -0.560 3.337 0.120 1.00 74.15 C ATOM 573 C VAL A 37 -2.019 3.410 0.543 1.00 21.24 C ATOM 574 O VAL A 37 -2.482 2.651 1.396 1.00 31.25 O ATOM 575 CB VAL A 37 -0.194 1.972 -0.585 1.00 61.44 C ATOM 576 CG1 VAL A 37 1.255 1.986 -1.012 1.00 72.10 C ATOM 577 CG2 VAL A 37 -0.445 0.749 0.289 1.00 43.05 C ATOM 0 H VAL A 37 0.545 2.776 1.779 1.00 74.25 H new ATOM 0 HA VAL A 37 -0.372 4.095 -0.640 1.00 74.15 H new ATOM 0 HB VAL A 37 -0.853 1.889 -1.449 1.00 61.44 H new ATOM 0 HG11 VAL A 37 1.500 1.041 -1.497 1.00 72.10 H new ATOM 0 HG12 VAL A 37 1.421 2.807 -1.710 1.00 72.10 H new ATOM 0 HG13 VAL A 37 1.891 2.120 -0.137 1.00 72.10 H new ATOM 0 HG21 VAL A 37 -0.171 -0.152 -0.259 1.00 43.05 H new ATOM 0 HG22 VAL A 37 0.157 0.819 1.195 1.00 43.05 H new ATOM 0 HG23 VAL A 37 -1.500 0.704 0.557 1.00 43.05 H new ATOM 587 N GLU A 38 -2.718 4.369 0.021 1.00 4.35 N ATOM 588 CA GLU A 38 -4.076 4.554 0.392 1.00 35.10 C ATOM 589 C GLU A 38 -4.981 3.950 -0.637 1.00 61.21 C ATOM 590 O GLU A 38 -5.067 4.431 -1.773 1.00 72.01 O ATOM 591 CB GLU A 38 -4.401 6.011 0.594 1.00 21.43 C ATOM 592 CG GLU A 38 -5.799 6.244 1.104 1.00 15.15 C ATOM 593 CD GLU A 38 -6.108 7.685 1.205 1.00 52.21 C ATOM 594 OE1 GLU A 38 -5.683 8.316 2.176 1.00 55.21 O ATOM 595 OE2 GLU A 38 -6.754 8.216 0.274 1.00 4.01 O ATOM 0 H GLU A 38 -2.364 5.035 -0.665 1.00 4.35 H new ATOM 0 HA GLU A 38 -4.235 4.047 1.344 1.00 35.10 H new ATOM 0 HB2 GLU A 38 -3.688 6.441 1.298 1.00 21.43 H new ATOM 0 HB3 GLU A 38 -4.274 6.539 -0.351 1.00 21.43 H new ATOM 0 HG2 GLU A 38 -6.515 5.764 0.437 1.00 15.15 H new ATOM 0 HG3 GLU A 38 -5.912 5.778 2.083 1.00 15.15 H new ATOM 602 N VAL A 39 -5.631 2.913 -0.235 1.00 33.31 N ATOM 603 CA VAL A 39 -6.525 2.169 -1.064 1.00 20.32 C ATOM 604 C VAL A 39 -7.972 2.574 -0.787 1.00 24.02 C ATOM 605 O VAL A 39 -8.460 2.444 0.343 1.00 65.23 O ATOM 606 CB VAL A 39 -6.340 0.655 -0.794 1.00 53.02 C ATOM 607 CG1 VAL A 39 -7.375 -0.180 -1.517 1.00 13.33 C ATOM 608 CG2 VAL A 39 -4.937 0.204 -1.182 1.00 41.33 C ATOM 0 H VAL A 39 -5.554 2.544 0.713 1.00 33.31 H new ATOM 0 HA VAL A 39 -6.300 2.383 -2.109 1.00 20.32 H new ATOM 0 HB VAL A 39 -6.479 0.502 0.276 1.00 53.02 H new ATOM 0 HG11 VAL A 39 -7.208 -1.235 -1.300 1.00 13.33 H new ATOM 0 HG12 VAL A 39 -8.372 0.106 -1.182 1.00 13.33 H new ATOM 0 HG13 VAL A 39 -7.291 -0.013 -2.591 1.00 13.33 H new ATOM 0 HG21 VAL A 39 -4.830 -0.862 -0.984 1.00 41.33 H new ATOM 0 HG22 VAL A 39 -4.774 0.394 -2.243 1.00 41.33 H new ATOM 0 HG23 VAL A 39 -4.202 0.757 -0.597 1.00 41.33 H new ATOM 618 N LEU A 40 -8.623 3.114 -1.793 1.00 2.01 N ATOM 619 CA LEU A 40 -10.034 3.412 -1.736 1.00 42.14 C ATOM 620 C LEU A 40 -10.699 2.253 -2.432 1.00 54.43 C ATOM 621 O LEU A 40 -10.497 2.045 -3.632 1.00 55.33 O ATOM 622 CB LEU A 40 -10.365 4.723 -2.510 1.00 74.32 C ATOM 623 CG LEU A 40 -11.774 5.383 -2.321 1.00 70.22 C ATOM 624 CD1 LEU A 40 -11.982 6.495 -3.319 1.00 40.33 C ATOM 625 CD2 LEU A 40 -12.918 4.410 -2.401 1.00 63.31 C ATOM 0 H LEU A 40 -8.183 3.360 -2.680 1.00 2.01 H new ATOM 0 HA LEU A 40 -10.368 3.550 -0.708 1.00 42.14 H new ATOM 0 HB2 LEU A 40 -9.615 5.465 -2.236 1.00 74.32 H new ATOM 0 HB3 LEU A 40 -10.238 4.518 -3.573 1.00 74.32 H new ATOM 0 HG LEU A 40 -11.775 5.784 -1.308 1.00 70.22 H new ATOM 0 HD11 LEU A 40 -12.966 6.939 -3.169 1.00 40.33 H new ATOM 0 HD12 LEU A 40 -11.215 7.257 -3.180 1.00 40.33 H new ATOM 0 HD13 LEU A 40 -11.915 6.094 -4.330 1.00 40.33 H new ATOM 0 HD21 LEU A 40 -13.859 4.942 -2.261 1.00 63.31 H new ATOM 0 HD22 LEU A 40 -12.917 3.927 -3.378 1.00 63.31 H new ATOM 0 HD23 LEU A 40 -12.809 3.655 -1.622 1.00 63.31 H new ATOM 637 N CYS A 41 -11.454 1.512 -1.716 1.00 50.22 N ATOM 638 CA CYS A 41 -12.114 0.382 -2.287 1.00 52.41 C ATOM 639 C CYS A 41 -13.607 0.413 -1.999 1.00 64.22 C ATOM 640 O CYS A 41 -14.023 0.466 -0.834 1.00 11.42 O ATOM 641 CB CYS A 41 -11.476 -0.898 -1.767 1.00 3.44 C ATOM 642 SG CYS A 41 -11.507 -1.048 0.033 1.00 64.04 S ATOM 0 H CYS A 41 -11.638 1.661 -0.724 1.00 50.22 H new ATOM 0 HA CYS A 41 -11.997 0.416 -3.370 1.00 52.41 H new ATOM 0 HB2 CYS A 41 -11.992 -1.753 -2.203 1.00 3.44 H new ATOM 0 HB3 CYS A 41 -10.442 -0.942 -2.108 1.00 3.44 H new ATOM 0 HG CYS A 41 -10.309 -0.869 0.504 1.00 64.04 H new ATOM 648 N SER A 42 -14.406 0.450 -3.069 1.00 3.41 N ATOM 649 CA SER A 42 -15.871 0.386 -2.993 1.00 43.41 C ATOM 650 C SER A 42 -16.455 1.533 -2.131 1.00 1.31 C ATOM 651 O SER A 42 -17.529 1.397 -1.523 1.00 71.41 O ATOM 652 CB SER A 42 -16.284 -0.983 -2.439 1.00 51.40 C ATOM 653 OG SER A 42 -15.740 -2.047 -3.231 1.00 33.00 O ATOM 0 H SER A 42 -14.052 0.526 -4.023 1.00 3.41 H new ATOM 0 HA SER A 42 -16.278 0.512 -3.996 1.00 43.41 H new ATOM 0 HB2 SER A 42 -15.941 -1.080 -1.409 1.00 51.40 H new ATOM 0 HB3 SER A 42 -17.371 -1.058 -2.421 1.00 51.40 H new ATOM 0 HG SER A 42 -16.017 -2.909 -2.855 1.00 33.00 H new ATOM 659 N GLY A 43 -15.767 2.659 -2.110 1.00 25.13 N ATOM 660 CA GLY A 43 -16.239 3.799 -1.353 1.00 72.52 C ATOM 661 C GLY A 43 -15.544 3.959 -0.011 1.00 61.55 C ATOM 662 O GLY A 43 -15.745 4.950 0.674 1.00 51.51 O ATOM 0 H GLY A 43 -14.887 2.807 -2.604 1.00 25.13 H new ATOM 0 HA2 GLY A 43 -16.090 4.704 -1.942 1.00 72.52 H new ATOM 0 HA3 GLY A 43 -17.312 3.698 -1.189 1.00 72.52 H new ATOM 666 N ARG A 44 -14.737 2.987 0.377 1.00 42.02 N ATOM 667 CA ARG A 44 -14.039 3.060 1.656 1.00 11.44 C ATOM 668 C ARG A 44 -12.538 3.238 1.466 1.00 4.25 C ATOM 669 O ARG A 44 -11.899 2.452 0.776 1.00 53.21 O ATOM 670 CB ARG A 44 -14.320 1.819 2.548 1.00 4.30 C ATOM 671 CG ARG A 44 -15.743 1.706 3.131 1.00 13.32 C ATOM 672 CD ARG A 44 -16.831 1.531 2.071 1.00 64.44 C ATOM 673 NE ARG A 44 -18.167 1.466 2.676 1.00 13.44 N ATOM 674 CZ ARG A 44 -19.316 1.237 2.013 1.00 53.21 C ATOM 675 NH1 ARG A 44 -19.321 1.087 0.681 1.00 2.14 N ATOM 676 NH2 ARG A 44 -20.461 1.184 2.682 1.00 4.45 N ATOM 0 H ARG A 44 -14.548 2.145 -0.166 1.00 42.02 H new ATOM 0 HA ARG A 44 -14.430 3.938 2.169 1.00 11.44 H new ATOM 0 HB2 ARG A 44 -14.118 0.923 1.961 1.00 4.30 H new ATOM 0 HB3 ARG A 44 -13.610 1.824 3.375 1.00 4.30 H new ATOM 0 HG2 ARG A 44 -15.778 0.860 3.818 1.00 13.32 H new ATOM 0 HG3 ARG A 44 -15.958 2.600 3.715 1.00 13.32 H new ATOM 0 HD2 ARG A 44 -16.790 2.361 1.366 1.00 64.44 H new ATOM 0 HD3 ARG A 44 -16.643 0.620 1.503 1.00 64.44 H new ATOM 0 HE ARG A 44 -18.230 1.606 3.684 1.00 13.44 H new ATOM 0 HH11 ARG A 44 -18.447 1.146 0.158 1.00 2.14 H new ATOM 0 HH12 ARG A 44 -20.198 0.914 0.191 1.00 2.14 H new ATOM 0 HH21 ARG A 44 -20.467 1.316 3.693 1.00 4.45 H new ATOM 0 HH22 ARG A 44 -21.335 1.011 2.185 1.00 4.45 H new ATOM 690 N ARG A 45 -11.992 4.267 2.086 1.00 55.00 N ATOM 691 CA ARG A 45 -10.553 4.559 2.043 1.00 72.24 C ATOM 692 C ARG A 45 -9.824 3.752 3.106 1.00 62.13 C ATOM 693 O ARG A 45 -10.453 3.206 3.997 1.00 23.43 O ATOM 694 CB ARG A 45 -10.311 6.036 2.380 1.00 34.21 C ATOM 695 CG ARG A 45 -10.837 7.062 1.395 1.00 12.00 C ATOM 696 CD ARG A 45 -9.957 7.140 0.176 1.00 65.21 C ATOM 697 NE ARG A 45 -10.468 8.089 -0.819 1.00 41.41 N ATOM 698 CZ ARG A 45 -9.744 8.598 -1.821 1.00 35.53 C ATOM 699 NH1 ARG A 45 -8.435 8.480 -1.821 1.00 30.12 N ATOM 700 NH2 ARG A 45 -10.331 9.295 -2.775 1.00 75.25 N ATOM 0 H ARG A 45 -12.529 4.934 2.640 1.00 55.00 H new ATOM 0 HA ARG A 45 -10.192 4.313 1.044 1.00 72.24 H new ATOM 0 HB2 ARG A 45 -10.759 6.239 3.353 1.00 34.21 H new ATOM 0 HB3 ARG A 45 -9.237 6.188 2.486 1.00 34.21 H new ATOM 0 HG2 ARG A 45 -11.853 6.800 1.099 1.00 12.00 H new ATOM 0 HG3 ARG A 45 -10.887 8.039 1.875 1.00 12.00 H new ATOM 0 HD2 ARG A 45 -8.951 7.436 0.475 1.00 65.21 H new ATOM 0 HD3 ARG A 45 -9.877 6.151 -0.276 1.00 65.21 H new ATOM 0 HE ARG A 45 -11.442 8.380 -0.741 1.00 41.41 H new ATOM 0 HH11 ARG A 45 -7.966 7.998 -1.054 1.00 30.12 H new ATOM 0 HH12 ARG A 45 -7.888 8.870 -2.588 1.00 30.12 H new ATOM 0 HH21 ARG A 45 -11.339 9.447 -2.749 1.00 75.25 H new ATOM 0 HH22 ARG A 45 -9.776 9.682 -3.538 1.00 75.25 H new ATOM 714 N HIS A 46 -8.511 3.664 2.968 1.00 11.00 N ATOM 715 CA HIS A 46 -7.603 3.152 4.005 1.00 20.42 C ATOM 716 C HIS A 46 -6.158 3.348 3.637 1.00 45.02 C ATOM 717 O HIS A 46 -5.669 2.813 2.635 1.00 2.42 O ATOM 718 CB HIS A 46 -7.893 1.717 4.523 1.00 62.43 C ATOM 719 CG HIS A 46 -8.034 0.655 3.497 1.00 43.01 C ATOM 720 ND1 HIS A 46 -7.112 -0.084 2.853 1.00 71.45 N flip ATOM 721 CD2 HIS A 46 -9.250 0.196 3.075 1.00 1.31 C flip ATOM 722 CE1 HIS A 46 -7.783 -0.976 2.067 1.00 33.12 C flip ATOM 723 NE2 HIS A 46 -9.076 -0.780 2.221 1.00 13.15 N flip ATOM 0 H HIS A 46 -8.027 3.950 2.117 1.00 11.00 H new ATOM 0 HA HIS A 46 -7.823 3.777 4.870 1.00 20.42 H new ATOM 0 HB2 HIS A 46 -7.089 1.431 5.201 1.00 62.43 H new ATOM 0 HB3 HIS A 46 -8.810 1.746 5.111 1.00 62.43 H new ATOM 0 HD1 HIS A 46 -6.099 0.006 2.937 1.00 71.45 H new ATOM 0 HD2 HIS A 46 -10.207 0.580 3.397 1.00 1.31 H new ATOM 0 HE1 HIS A 46 -7.329 -1.718 1.426 1.00 33.12 H new ATOM 732 N THR A 47 -5.504 4.132 4.435 1.00 2.02 N ATOM 733 CA THR A 47 -4.121 4.468 4.282 1.00 13.13 C ATOM 734 C THR A 47 -3.275 3.389 4.966 1.00 73.10 C ATOM 735 O THR A 47 -3.316 3.244 6.200 1.00 41.41 O ATOM 736 CB THR A 47 -3.864 5.829 4.961 1.00 53.32 C ATOM 737 OG1 THR A 47 -4.798 6.801 4.472 1.00 71.35 O ATOM 738 CG2 THR A 47 -2.466 6.320 4.695 1.00 30.23 C ATOM 0 H THR A 47 -5.937 4.575 5.246 1.00 2.02 H new ATOM 0 HA THR A 47 -3.858 4.528 3.226 1.00 13.13 H new ATOM 0 HB THR A 47 -3.988 5.693 6.035 1.00 53.32 H new ATOM 0 HG1 THR A 47 -4.620 6.978 3.525 1.00 71.35 H new ATOM 0 HG21 THR A 47 -2.318 7.281 5.188 1.00 30.23 H new ATOM 0 HG22 THR A 47 -1.747 5.599 5.083 1.00 30.23 H new ATOM 0 HG23 THR A 47 -2.319 6.436 3.621 1.00 30.23 H new ATOM 746 N VAL A 48 -2.550 2.617 4.175 1.00 73.13 N ATOM 747 CA VAL A 48 -1.767 1.519 4.701 1.00 22.11 C ATOM 748 C VAL A 48 -0.251 1.764 4.500 1.00 12.41 C ATOM 749 O VAL A 48 0.233 1.804 3.371 1.00 12.42 O ATOM 750 CB VAL A 48 -2.173 0.185 4.014 1.00 21.42 C ATOM 751 CG1 VAL A 48 -1.459 -0.985 4.644 1.00 23.43 C ATOM 752 CG2 VAL A 48 -3.678 -0.024 4.074 1.00 24.15 C ATOM 0 H VAL A 48 -2.489 2.733 3.163 1.00 73.13 H new ATOM 0 HA VAL A 48 -1.969 1.452 5.770 1.00 22.11 H new ATOM 0 HB VAL A 48 -1.876 0.249 2.967 1.00 21.42 H new ATOM 0 HG11 VAL A 48 -1.760 -1.906 4.146 1.00 23.43 H new ATOM 0 HG12 VAL A 48 -0.382 -0.852 4.541 1.00 23.43 H new ATOM 0 HG13 VAL A 48 -1.718 -1.043 5.701 1.00 23.43 H new ATOM 0 HG21 VAL A 48 -3.934 -0.964 3.586 1.00 24.15 H new ATOM 0 HG22 VAL A 48 -4.000 -0.056 5.115 1.00 24.15 H new ATOM 0 HG23 VAL A 48 -4.180 0.798 3.564 1.00 24.15 H new ATOM 762 N PRO A 49 0.504 1.962 5.598 1.00 64.44 N ATOM 763 CA PRO A 49 1.968 2.153 5.548 1.00 42.45 C ATOM 764 C PRO A 49 2.704 0.874 5.113 1.00 72.04 C ATOM 765 O PRO A 49 2.511 -0.208 5.696 1.00 32.10 O ATOM 766 CB PRO A 49 2.340 2.498 6.997 1.00 24.31 C ATOM 767 CG PRO A 49 1.051 2.833 7.668 1.00 32.14 C ATOM 768 CD PRO A 49 0.000 2.031 6.969 1.00 53.14 C ATOM 0 HA PRO A 49 2.249 2.919 4.825 1.00 42.45 H new ATOM 0 HB2 PRO A 49 2.831 1.657 7.487 1.00 24.31 H new ATOM 0 HB3 PRO A 49 3.033 3.339 7.035 1.00 24.31 H new ATOM 0 HG2 PRO A 49 1.088 2.586 8.729 1.00 32.14 H new ATOM 0 HG3 PRO A 49 0.840 3.900 7.596 1.00 32.14 H new ATOM 0 HD2 PRO A 49 -0.112 1.040 7.409 1.00 53.14 H new ATOM 0 HD3 PRO A 49 -0.976 2.514 7.017 1.00 53.14 H new ATOM 776 N ARG A 50 3.533 0.994 4.099 1.00 55.31 N ATOM 777 CA ARG A 50 4.275 -0.132 3.562 1.00 12.31 C ATOM 778 C ARG A 50 5.750 0.229 3.384 1.00 43.50 C ATOM 779 O ARG A 50 6.073 1.191 2.671 1.00 53.53 O ATOM 780 CB ARG A 50 3.692 -0.505 2.185 1.00 62.34 C ATOM 781 CG ARG A 50 2.218 -0.897 2.198 1.00 70.12 C ATOM 782 CD ARG A 50 1.990 -2.215 2.910 1.00 23.24 C ATOM 783 NE ARG A 50 2.624 -3.328 2.192 1.00 42.31 N ATOM 784 CZ ARG A 50 2.817 -4.542 2.692 1.00 22.52 C ATOM 785 NH1 ARG A 50 2.489 -4.803 3.940 1.00 0.21 N ATOM 786 NH2 ARG A 50 3.345 -5.485 1.946 1.00 12.33 N ATOM 0 H ARG A 50 3.714 1.877 3.621 1.00 55.31 H new ATOM 0 HA ARG A 50 4.193 -0.968 4.257 1.00 12.31 H new ATOM 0 HB2 ARG A 50 3.822 0.341 1.510 1.00 62.34 H new ATOM 0 HB3 ARG A 50 4.270 -1.333 1.774 1.00 62.34 H new ATOM 0 HG2 ARG A 50 1.639 -0.115 2.688 1.00 70.12 H new ATOM 0 HG3 ARG A 50 1.853 -0.970 1.174 1.00 70.12 H new ATOM 0 HD2 ARG A 50 2.391 -2.158 3.922 1.00 23.24 H new ATOM 0 HD3 ARG A 50 0.920 -2.401 3.001 1.00 23.24 H new ATOM 0 HE ARG A 50 2.940 -3.155 1.238 1.00 42.31 H new ATOM 0 HH11 ARG A 50 2.086 -4.071 4.525 1.00 0.21 H new ATOM 0 HH12 ARG A 50 2.638 -5.737 4.322 1.00 0.21 H new ATOM 0 HH21 ARG A 50 3.607 -5.285 0.981 1.00 12.33 H new ATOM 0 HH22 ARG A 50 3.493 -6.418 2.332 1.00 12.33 H new ATOM 800 N ARG A 51 6.646 -0.506 4.037 1.00 42.42 N ATOM 801 CA ARG A 51 8.076 -0.316 3.784 1.00 72.55 C ATOM 802 C ARG A 51 8.359 -1.026 2.461 1.00 40.15 C ATOM 803 O ARG A 51 7.563 -1.896 2.036 1.00 74.53 O ATOM 804 CB ARG A 51 8.952 -0.922 4.908 1.00 35.51 C ATOM 805 CG ARG A 51 10.421 -0.448 4.917 1.00 44.12 C ATOM 806 CD ARG A 51 11.255 -1.215 5.937 1.00 40.42 C ATOM 807 NE ARG A 51 12.585 -0.623 6.169 1.00 31.10 N ATOM 808 CZ ARG A 51 13.519 -1.180 6.956 1.00 34.42 C ATOM 809 NH1 ARG A 51 13.396 -2.438 7.348 1.00 61.53 N ATOM 810 NH2 ARG A 51 14.594 -0.489 7.316 1.00 61.31 N ATOM 0 H ARG A 51 6.419 -1.221 4.728 1.00 42.42 H new ATOM 0 HA ARG A 51 8.319 0.746 3.749 1.00 72.55 H new ATOM 0 HB2 ARG A 51 8.502 -0.679 5.870 1.00 35.51 H new ATOM 0 HB3 ARG A 51 8.937 -2.008 4.814 1.00 35.51 H new ATOM 0 HG2 ARG A 51 10.851 -0.578 3.924 1.00 44.12 H new ATOM 0 HG3 ARG A 51 10.458 0.617 5.144 1.00 44.12 H new ATOM 0 HD2 ARG A 51 10.713 -1.255 6.882 1.00 40.42 H new ATOM 0 HD3 ARG A 51 11.377 -2.243 5.596 1.00 40.42 H new ATOM 0 HE ARG A 51 12.808 0.258 5.706 1.00 31.10 H new ATOM 0 HH11 ARG A 51 12.589 -2.988 7.052 1.00 61.53 H new ATOM 0 HH12 ARG A 51 14.108 -2.858 7.946 1.00 61.53 H new ATOM 0 HH21 ARG A 51 14.714 0.471 6.994 1.00 61.31 H new ATOM 0 HH22 ARG A 51 15.300 -0.919 7.914 1.00 61.31 H new ATOM 824 N TYR A 52 9.459 -0.707 1.813 1.00 41.24 N ATOM 825 CA TYR A 52 9.710 -1.245 0.482 1.00 61.22 C ATOM 826 C TYR A 52 9.979 -2.774 0.545 1.00 73.10 C ATOM 827 O TYR A 52 9.686 -3.517 -0.406 1.00 51.12 O ATOM 828 CB TYR A 52 10.875 -0.505 -0.171 1.00 54.12 C ATOM 829 CG TYR A 52 10.774 -0.428 -1.676 1.00 3.15 C ATOM 830 CD1 TYR A 52 10.978 -1.538 -2.480 1.00 35.33 C ATOM 831 CD2 TYR A 52 10.455 0.774 -2.288 1.00 54.44 C ATOM 832 CE1 TYR A 52 10.864 -1.449 -3.851 1.00 34.54 C ATOM 833 CE2 TYR A 52 10.344 0.870 -3.652 1.00 52.31 C ATOM 834 CZ TYR A 52 10.548 -0.243 -4.431 1.00 54.01 C ATOM 835 OH TYR A 52 10.430 -0.152 -5.792 1.00 5.22 O ATOM 0 H TYR A 52 10.186 -0.089 2.173 1.00 41.24 H new ATOM 0 HA TYR A 52 8.821 -1.093 -0.130 1.00 61.22 H new ATOM 0 HB2 TYR A 52 10.925 0.506 0.234 1.00 54.12 H new ATOM 0 HB3 TYR A 52 11.807 -1.003 0.097 1.00 54.12 H new ATOM 0 HD1 TYR A 52 11.230 -2.485 -2.027 1.00 35.33 H new ATOM 0 HD2 TYR A 52 10.291 1.651 -1.680 1.00 54.44 H new ATOM 0 HE1 TYR A 52 11.022 -2.322 -4.466 1.00 34.54 H new ATOM 0 HE2 TYR A 52 10.097 1.816 -4.111 1.00 52.31 H new ATOM 0 HH TYR A 52 10.826 0.690 -6.099 1.00 5.22 H new ATOM 845 N SER A 53 10.499 -3.232 1.678 1.00 43.32 N ATOM 846 CA SER A 53 10.795 -4.643 1.879 1.00 62.04 C ATOM 847 C SER A 53 9.481 -5.435 1.930 1.00 15.21 C ATOM 848 O SER A 53 9.332 -6.474 1.263 1.00 73.20 O ATOM 849 CB SER A 53 11.606 -4.832 3.183 1.00 64.34 C ATOM 850 OG SER A 53 12.038 -6.177 3.355 1.00 64.22 O ATOM 0 H SER A 53 10.725 -2.640 2.477 1.00 43.32 H new ATOM 0 HA SER A 53 11.396 -5.015 1.050 1.00 62.04 H new ATOM 0 HB2 SER A 53 12.473 -4.172 3.169 1.00 64.34 H new ATOM 0 HB3 SER A 53 10.995 -4.536 4.036 1.00 64.34 H new ATOM 0 HG SER A 53 12.406 -6.290 4.256 1.00 64.22 H new ATOM 856 N GLU A 54 8.521 -4.914 2.689 1.00 11.23 N ATOM 857 CA GLU A 54 7.220 -5.534 2.820 1.00 72.32 C ATOM 858 C GLU A 54 6.503 -5.605 1.489 1.00 50.35 C ATOM 859 O GLU A 54 5.803 -6.579 1.208 1.00 13.13 O ATOM 860 CB GLU A 54 6.345 -4.855 3.886 1.00 53.33 C ATOM 861 CG GLU A 54 6.767 -5.107 5.336 1.00 51.25 C ATOM 862 CD GLU A 54 8.073 -4.513 5.723 1.00 55.42 C ATOM 863 OE1 GLU A 54 9.119 -5.131 5.459 1.00 22.33 O ATOM 864 OE2 GLU A 54 8.070 -3.452 6.331 1.00 42.32 O ATOM 0 H GLU A 54 8.629 -4.053 3.226 1.00 11.23 H new ATOM 0 HA GLU A 54 7.398 -6.553 3.162 1.00 72.32 H new ATOM 0 HB2 GLU A 54 6.349 -3.780 3.705 1.00 53.33 H new ATOM 0 HB3 GLU A 54 5.317 -5.195 3.760 1.00 53.33 H new ATOM 0 HG2 GLU A 54 5.995 -4.712 5.997 1.00 51.25 H new ATOM 0 HG3 GLU A 54 6.810 -6.183 5.504 1.00 51.25 H new ATOM 871 N PHE A 55 6.668 -4.572 0.673 1.00 51.12 N ATOM 872 CA PHE A 55 6.145 -4.552 -0.659 1.00 12.23 C ATOM 873 C PHE A 55 6.661 -5.764 -1.464 1.00 30.53 C ATOM 874 O PHE A 55 5.888 -6.435 -2.160 1.00 31.24 O ATOM 875 CB PHE A 55 6.574 -3.248 -1.327 1.00 23.21 C ATOM 876 CG PHE A 55 6.156 -3.139 -2.740 1.00 5.00 C ATOM 877 CD1 PHE A 55 4.939 -2.596 -3.068 1.00 1.43 C ATOM 878 CD2 PHE A 55 6.986 -3.598 -3.750 1.00 61.33 C ATOM 879 CE1 PHE A 55 4.557 -2.511 -4.378 1.00 45.41 C ATOM 880 CE2 PHE A 55 6.608 -3.518 -5.054 1.00 54.11 C ATOM 881 CZ PHE A 55 5.395 -2.975 -5.376 1.00 13.40 C ATOM 0 H PHE A 55 7.174 -3.725 0.932 1.00 51.12 H new ATOM 0 HA PHE A 55 5.057 -4.613 -0.628 1.00 12.23 H new ATOM 0 HB2 PHE A 55 6.157 -2.410 -0.768 1.00 23.21 H new ATOM 0 HB3 PHE A 55 7.659 -3.161 -1.271 1.00 23.21 H new ATOM 0 HD1 PHE A 55 4.282 -2.235 -2.290 1.00 1.43 H new ATOM 0 HD2 PHE A 55 7.946 -4.025 -3.499 1.00 61.33 H new ATOM 0 HE1 PHE A 55 3.600 -2.081 -4.634 1.00 45.41 H new ATOM 0 HE2 PHE A 55 7.263 -3.882 -5.832 1.00 54.11 H new ATOM 0 HZ PHE A 55 5.091 -2.908 -6.410 1.00 13.40 H new ATOM 891 N HIS A 56 7.956 -6.049 -1.355 1.00 11.33 N ATOM 892 CA HIS A 56 8.533 -7.187 -2.069 1.00 54.52 C ATOM 893 C HIS A 56 8.004 -8.523 -1.556 1.00 25.41 C ATOM 894 O HIS A 56 7.749 -9.440 -2.347 1.00 43.44 O ATOM 895 CB HIS A 56 10.074 -7.178 -2.080 1.00 1.21 C ATOM 896 CG HIS A 56 10.705 -6.136 -2.972 1.00 55.52 C ATOM 897 ND1 HIS A 56 11.832 -5.432 -2.629 1.00 62.24 N ATOM 898 CD2 HIS A 56 10.400 -5.746 -4.235 1.00 3.13 C ATOM 899 CE1 HIS A 56 12.194 -4.655 -3.631 1.00 61.14 C ATOM 900 NE2 HIS A 56 11.342 -4.825 -4.622 1.00 34.42 N ATOM 0 H HIS A 56 8.618 -5.518 -0.789 1.00 11.33 H new ATOM 0 HA HIS A 56 8.206 -7.071 -3.102 1.00 54.52 H new ATOM 0 HB2 HIS A 56 10.428 -7.023 -1.061 1.00 1.21 H new ATOM 0 HB3 HIS A 56 10.425 -8.161 -2.393 1.00 1.21 H new ATOM 0 HD2 HIS A 56 9.568 -6.096 -4.828 1.00 3.13 H new ATOM 0 HE1 HIS A 56 13.046 -3.991 -3.638 1.00 61.14 H new ATOM 0 HE2 HIS A 56 11.377 -4.352 -5.525 1.00 34.42 H new ATOM 909 N ALA A 57 7.825 -8.629 -0.254 1.00 3.32 N ATOM 910 CA ALA A 57 7.306 -9.855 0.346 1.00 44.33 C ATOM 911 C ALA A 57 5.841 -10.081 -0.057 1.00 22.02 C ATOM 912 O ALA A 57 5.415 -11.214 -0.333 1.00 72.43 O ATOM 913 CB ALA A 57 7.460 -9.813 1.856 1.00 4.55 C ATOM 0 H ALA A 57 8.029 -7.885 0.413 1.00 3.32 H new ATOM 0 HA ALA A 57 7.887 -10.697 -0.030 1.00 44.33 H new ATOM 0 HB1 ALA A 57 7.068 -10.734 2.287 1.00 4.55 H new ATOM 0 HB2 ALA A 57 8.515 -9.712 2.111 1.00 4.55 H new ATOM 0 HB3 ALA A 57 6.908 -8.962 2.255 1.00 4.55 H new ATOM 919 N LEU A 58 5.087 -8.985 -0.111 1.00 4.42 N ATOM 920 CA LEU A 58 3.681 -8.991 -0.534 1.00 5.30 C ATOM 921 C LEU A 58 3.559 -9.576 -1.926 1.00 3.40 C ATOM 922 O LEU A 58 2.807 -10.530 -2.166 1.00 3.24 O ATOM 923 CB LEU A 58 3.195 -7.531 -0.578 1.00 45.10 C ATOM 924 CG LEU A 58 1.815 -7.243 -1.194 1.00 73.12 C ATOM 925 CD1 LEU A 58 0.698 -7.855 -0.389 1.00 53.32 C ATOM 926 CD2 LEU A 58 1.608 -5.747 -1.357 1.00 64.41 C ATOM 0 H LEU A 58 5.434 -8.059 0.139 1.00 4.42 H new ATOM 0 HA LEU A 58 3.090 -9.588 0.161 1.00 5.30 H new ATOM 0 HB2 LEU A 58 3.190 -7.151 0.444 1.00 45.10 H new ATOM 0 HB3 LEU A 58 3.934 -6.950 -1.130 1.00 45.10 H new ATOM 0 HG LEU A 58 1.792 -7.709 -2.179 1.00 73.12 H new ATOM 0 HD11 LEU A 58 -0.258 -7.626 -0.860 1.00 53.32 H new ATOM 0 HD12 LEU A 58 0.831 -8.936 -0.345 1.00 53.32 H new ATOM 0 HD13 LEU A 58 0.711 -7.446 0.621 1.00 53.32 H new ATOM 0 HD21 LEU A 58 0.627 -5.561 -1.794 1.00 64.41 H new ATOM 0 HD22 LEU A 58 1.669 -5.263 -0.382 1.00 64.41 H new ATOM 0 HD23 LEU A 58 2.380 -5.342 -2.012 1.00 64.41 H new ATOM 938 N HIS A 59 4.364 -9.048 -2.815 1.00 73.42 N ATOM 939 CA HIS A 59 4.318 -9.434 -4.196 1.00 54.22 C ATOM 940 C HIS A 59 4.790 -10.872 -4.415 1.00 1.33 C ATOM 941 O HIS A 59 4.234 -11.564 -5.260 1.00 72.21 O ATOM 942 CB HIS A 59 5.130 -8.447 -5.085 1.00 3.31 C ATOM 943 CG HIS A 59 5.321 -8.916 -6.512 1.00 2.32 C ATOM 944 ND1 HIS A 59 4.412 -8.701 -7.502 1.00 11.34 N ATOM 945 CD2 HIS A 59 6.311 -9.642 -7.077 1.00 3.23 C ATOM 946 CE1 HIS A 59 4.816 -9.277 -8.603 1.00 74.11 C ATOM 947 NE2 HIS A 59 5.965 -9.850 -8.379 1.00 11.44 N ATOM 0 H HIS A 59 5.066 -8.341 -2.598 1.00 73.42 H new ATOM 0 HA HIS A 59 3.271 -9.389 -4.497 1.00 54.22 H new ATOM 0 HB2 HIS A 59 4.622 -7.482 -5.096 1.00 3.31 H new ATOM 0 HB3 HIS A 59 6.109 -8.287 -4.632 1.00 3.31 H new ATOM 0 HD2 HIS A 59 7.208 -9.992 -6.588 1.00 3.23 H new ATOM 0 HE1 HIS A 59 4.285 -9.278 -9.544 1.00 74.11 H new ATOM 0 HE2 HIS A 59 6.514 -10.368 -9.065 1.00 11.44 H new ATOM 956 N LYS A 60 5.815 -11.326 -3.681 1.00 51.43 N ATOM 957 CA LYS A 60 6.312 -12.671 -3.937 1.00 20.44 C ATOM 958 C LYS A 60 5.280 -13.713 -3.590 1.00 43.24 C ATOM 959 O LYS A 60 5.213 -14.754 -4.241 1.00 3.40 O ATOM 960 CB LYS A 60 7.628 -13.021 -3.264 1.00 1.13 C ATOM 961 CG LYS A 60 7.589 -13.119 -1.753 1.00 43.43 C ATOM 962 CD LYS A 60 8.563 -14.185 -1.284 1.00 21.12 C ATOM 963 CE LYS A 60 8.065 -15.593 -1.689 1.00 0.13 C ATOM 964 NZ LYS A 60 6.863 -15.998 -0.931 1.00 40.01 N ATOM 0 H LYS A 60 6.292 -10.808 -2.943 1.00 51.43 H new ATOM 0 HA LYS A 60 6.513 -12.673 -5.008 1.00 20.44 H new ATOM 0 HB2 LYS A 60 7.976 -13.974 -3.662 1.00 1.13 H new ATOM 0 HB3 LYS A 60 8.368 -12.270 -3.542 1.00 1.13 H new ATOM 0 HG2 LYS A 60 7.847 -12.157 -1.310 1.00 43.43 H new ATOM 0 HG3 LYS A 60 6.580 -13.363 -1.421 1.00 43.43 H new ATOM 0 HD2 LYS A 60 9.547 -14.003 -1.717 1.00 21.12 H new ATOM 0 HD3 LYS A 60 8.676 -14.131 -0.201 1.00 21.12 H new ATOM 0 HE2 LYS A 60 7.841 -15.605 -2.756 1.00 0.13 H new ATOM 0 HE3 LYS A 60 8.860 -16.320 -1.522 1.00 0.13 H new ATOM 0 HZ1 LYS A 60 6.683 -17.011 -1.081 1.00 40.01 H new ATOM 0 HZ2 LYS A 60 7.015 -15.819 0.082 1.00 40.01 H new ATOM 0 HZ3 LYS A 60 6.043 -15.449 -1.260 1.00 40.01 H new ATOM 978 N ARG A 61 4.481 -13.447 -2.549 1.00 20.15 N ATOM 979 CA ARG A 61 3.399 -14.347 -2.206 1.00 11.20 C ATOM 980 C ARG A 61 2.481 -14.475 -3.379 1.00 11.50 C ATOM 981 O ARG A 61 2.320 -15.539 -3.977 1.00 74.14 O ATOM 982 CB ARG A 61 2.529 -13.809 -1.068 1.00 34.23 C ATOM 983 CG ARG A 61 3.120 -13.748 0.307 1.00 21.13 C ATOM 984 CD ARG A 61 2.032 -13.274 1.256 1.00 31.53 C ATOM 985 NE ARG A 61 2.400 -13.375 2.659 1.00 32.30 N ATOM 986 CZ ARG A 61 1.531 -13.666 3.640 1.00 11.24 C ATOM 987 NH1 ARG A 61 0.242 -13.923 3.349 1.00 14.23 N ATOM 988 NH2 ARG A 61 1.951 -13.723 4.897 1.00 21.43 N ATOM 0 H ARG A 61 4.569 -12.629 -1.946 1.00 20.15 H new ATOM 0 HA ARG A 61 3.862 -15.289 -1.911 1.00 11.20 H new ATOM 0 HB2 ARG A 61 2.212 -12.802 -1.339 1.00 34.23 H new ATOM 0 HB3 ARG A 61 1.630 -14.423 -1.017 1.00 34.23 H new ATOM 0 HG2 ARG A 61 3.490 -14.728 0.608 1.00 21.13 H new ATOM 0 HG3 ARG A 61 3.970 -13.066 0.328 1.00 21.13 H new ATOM 0 HD2 ARG A 61 1.788 -12.237 1.027 1.00 31.53 H new ATOM 0 HD3 ARG A 61 1.129 -13.860 1.082 1.00 31.53 H new ATOM 0 HE ARG A 61 3.375 -13.215 2.913 1.00 32.30 H new ATOM 0 HH11 ARG A 61 -0.077 -13.897 2.381 1.00 14.23 H new ATOM 0 HH12 ARG A 61 -0.415 -14.144 4.097 1.00 14.23 H new ATOM 0 HH21 ARG A 61 2.931 -13.546 5.116 1.00 21.43 H new ATOM 0 HH22 ARG A 61 1.293 -13.944 5.645 1.00 21.43 H new ATOM 1002 N ILE A 62 1.950 -13.355 -3.744 1.00 22.21 N ATOM 1003 CA ILE A 62 0.885 -13.304 -4.673 1.00 43.50 C ATOM 1004 C ILE A 62 1.259 -13.429 -6.126 1.00 40.10 C ATOM 1005 O ILE A 62 0.366 -13.556 -6.955 1.00 11.30 O ATOM 1006 CB ILE A 62 0.007 -12.115 -4.429 1.00 53.25 C ATOM 1007 CG1 ILE A 62 0.822 -10.817 -4.500 1.00 74.15 C ATOM 1008 CG2 ILE A 62 -0.685 -12.284 -3.082 1.00 23.14 C ATOM 1009 CD1 ILE A 62 0.005 -9.591 -4.274 1.00 75.32 C ATOM 0 H ILE A 62 2.251 -12.444 -3.399 1.00 22.21 H new ATOM 0 HA ILE A 62 0.323 -14.217 -4.476 1.00 43.50 H new ATOM 0 HB ILE A 62 -0.756 -12.048 -5.205 1.00 53.25 H new ATOM 0 HG12 ILE A 62 1.618 -10.856 -3.757 1.00 74.15 H new ATOM 0 HG13 ILE A 62 1.301 -10.750 -5.477 1.00 74.15 H new ATOM 0 HG21 ILE A 62 -1.328 -11.424 -2.893 1.00 23.14 H new ATOM 0 HG22 ILE A 62 -1.288 -13.192 -3.094 1.00 23.14 H new ATOM 0 HG23 ILE A 62 0.065 -12.357 -2.294 1.00 23.14 H new ATOM 0 HD11 ILE A 62 0.645 -8.711 -4.338 1.00 75.32 H new ATOM 0 HD12 ILE A 62 -0.775 -9.529 -5.033 1.00 75.32 H new ATOM 0 HD13 ILE A 62 -0.453 -9.636 -3.286 1.00 75.32 H new ATOM 1021 N LYS A 63 2.550 -13.404 -6.469 1.00 71.01 N ATOM 1022 CA LYS A 63 2.903 -13.668 -7.861 1.00 74.14 C ATOM 1023 C LYS A 63 2.520 -15.091 -8.192 1.00 35.41 C ATOM 1024 O LYS A 63 2.101 -15.386 -9.301 1.00 53.25 O ATOM 1025 CB LYS A 63 4.390 -13.419 -8.221 1.00 52.41 C ATOM 1026 CG LYS A 63 5.412 -14.231 -7.431 1.00 63.03 C ATOM 1027 CD LYS A 63 6.800 -14.206 -8.092 1.00 31.34 C ATOM 1028 CE LYS A 63 7.305 -12.797 -8.358 1.00 60.30 C ATOM 1029 NZ LYS A 63 8.649 -12.782 -8.980 1.00 12.41 N ATOM 0 H LYS A 63 3.329 -13.214 -5.839 1.00 71.01 H new ATOM 0 HA LYS A 63 2.347 -12.948 -8.462 1.00 74.14 H new ATOM 0 HB2 LYS A 63 4.527 -13.631 -9.281 1.00 52.41 H new ATOM 0 HB3 LYS A 63 4.606 -12.360 -8.077 1.00 52.41 H new ATOM 0 HG2 LYS A 63 5.485 -13.835 -6.418 1.00 63.03 H new ATOM 0 HG3 LYS A 63 5.069 -15.262 -7.346 1.00 63.03 H new ATOM 0 HD2 LYS A 63 7.511 -14.726 -7.451 1.00 31.34 H new ATOM 0 HD3 LYS A 63 6.758 -14.755 -9.033 1.00 31.34 H new ATOM 0 HE2 LYS A 63 6.601 -12.280 -9.010 1.00 60.30 H new ATOM 0 HE3 LYS A 63 7.337 -12.243 -7.420 1.00 60.30 H new ATOM 0 HZ1 LYS A 63 8.755 -11.923 -9.556 1.00 12.41 H new ATOM 0 HZ2 LYS A 63 9.376 -12.792 -8.236 1.00 12.41 H new ATOM 0 HZ3 LYS A 63 8.761 -13.620 -9.585 1.00 12.41 H new ATOM 1043 N LYS A 64 2.635 -15.965 -7.194 1.00 44.54 N ATOM 1044 CA LYS A 64 2.252 -17.350 -7.347 1.00 31.34 C ATOM 1045 C LYS A 64 0.721 -17.538 -7.252 1.00 54.01 C ATOM 1046 O LYS A 64 0.188 -18.543 -7.725 1.00 61.42 O ATOM 1047 CB LYS A 64 2.964 -18.207 -6.291 1.00 0.52 C ATOM 1048 CG LYS A 64 4.488 -18.272 -6.432 1.00 44.23 C ATOM 1049 CD LYS A 64 4.895 -18.999 -7.709 1.00 13.23 C ATOM 1050 CE LYS A 64 6.412 -19.118 -7.852 1.00 20.03 C ATOM 1051 NZ LYS A 64 7.083 -17.806 -8.010 1.00 34.24 N ATOM 0 H LYS A 64 2.994 -15.728 -6.269 1.00 44.54 H new ATOM 0 HA LYS A 64 2.557 -17.674 -8.342 1.00 31.34 H new ATOM 0 HB2 LYS A 64 2.722 -17.815 -5.303 1.00 0.52 H new ATOM 0 HB3 LYS A 64 2.566 -19.221 -6.338 1.00 0.52 H new ATOM 0 HG2 LYS A 64 4.898 -17.262 -6.439 1.00 44.23 H new ATOM 0 HG3 LYS A 64 4.914 -18.783 -5.568 1.00 44.23 H new ATOM 0 HD2 LYS A 64 4.453 -19.995 -7.714 1.00 13.23 H new ATOM 0 HD3 LYS A 64 4.492 -18.467 -8.571 1.00 13.23 H new ATOM 0 HE2 LYS A 64 6.816 -19.623 -6.974 1.00 20.03 H new ATOM 0 HE3 LYS A 64 6.642 -19.744 -8.714 1.00 20.03 H new ATOM 0 HZ1 LYS A 64 8.100 -17.953 -8.170 1.00 34.24 H new ATOM 0 HZ2 LYS A 64 6.674 -17.302 -8.823 1.00 34.24 H new ATOM 0 HZ3 LYS A 64 6.947 -17.240 -7.148 1.00 34.24 H new ATOM 1065 N LEU A 65 0.024 -16.576 -6.658 1.00 74.43 N ATOM 1066 CA LEU A 65 -1.432 -16.699 -6.441 1.00 21.02 C ATOM 1067 C LEU A 65 -2.310 -15.962 -7.462 1.00 3.42 C ATOM 1068 O LEU A 65 -3.167 -16.588 -8.113 1.00 71.31 O ATOM 1069 CB LEU A 65 -1.863 -16.324 -4.996 1.00 61.24 C ATOM 1070 CG LEU A 65 -1.556 -17.333 -3.854 1.00 4.12 C ATOM 1071 CD1 LEU A 65 -2.248 -18.664 -4.096 1.00 3.30 C ATOM 1072 CD2 LEU A 65 -0.066 -17.533 -3.643 1.00 32.34 C ATOM 0 H LEU A 65 0.430 -15.705 -6.317 1.00 74.43 H new ATOM 0 HA LEU A 65 -1.612 -17.763 -6.597 1.00 21.02 H new ATOM 0 HB2 LEU A 65 -1.386 -15.377 -4.741 1.00 61.24 H new ATOM 0 HB3 LEU A 65 -2.939 -16.147 -5.004 1.00 61.24 H new ATOM 0 HG LEU A 65 -1.955 -16.898 -2.938 1.00 4.12 H new ATOM 0 HD11 LEU A 65 -2.015 -19.349 -3.281 1.00 3.30 H new ATOM 0 HD12 LEU A 65 -3.326 -18.510 -4.143 1.00 3.30 H new ATOM 0 HD13 LEU A 65 -1.900 -19.089 -5.038 1.00 3.30 H new ATOM 0 HD21 LEU A 65 0.094 -18.247 -2.835 1.00 32.34 H new ATOM 0 HD22 LEU A 65 0.383 -17.916 -4.559 1.00 32.34 H new ATOM 0 HD23 LEU A 65 0.396 -16.580 -3.383 1.00 32.34 H new ATOM 1084 N TYR A 66 -2.123 -14.659 -7.620 1.00 41.24 N ATOM 1085 CA TYR A 66 -3.023 -13.902 -8.470 1.00 44.24 C ATOM 1086 C TYR A 66 -2.336 -12.978 -9.484 1.00 13.45 C ATOM 1087 O TYR A 66 -1.117 -12.829 -9.480 1.00 44.14 O ATOM 1088 CB TYR A 66 -4.159 -13.224 -7.668 1.00 71.21 C ATOM 1089 CG TYR A 66 -3.786 -12.308 -6.575 1.00 13.25 C ATOM 1090 CD1 TYR A 66 -3.144 -11.138 -6.798 1.00 23.13 C ATOM 1091 CD2 TYR A 66 -4.117 -12.653 -5.273 1.00 72.12 C ATOM 1092 CE1 TYR A 66 -2.830 -10.323 -5.762 1.00 75.20 C ATOM 1093 CE2 TYR A 66 -3.811 -11.851 -4.232 1.00 64.31 C ATOM 1094 CZ TYR A 66 -3.173 -10.684 -4.465 1.00 31.42 C ATOM 1095 OH TYR A 66 -2.814 -9.889 -3.400 1.00 33.31 O ATOM 0 H TYR A 66 -1.377 -14.118 -7.183 1.00 41.24 H new ATOM 0 HA TYR A 66 -3.502 -14.646 -9.106 1.00 44.24 H new ATOM 0 HB2 TYR A 66 -4.778 -12.668 -8.372 1.00 71.21 H new ATOM 0 HB3 TYR A 66 -4.784 -14.011 -7.245 1.00 71.21 H new ATOM 0 HD1 TYR A 66 -2.881 -10.853 -7.806 1.00 23.13 H new ATOM 0 HD2 TYR A 66 -4.631 -13.585 -5.088 1.00 72.12 H new ATOM 0 HE1 TYR A 66 -2.313 -9.393 -5.945 1.00 75.20 H new ATOM 0 HE2 TYR A 66 -4.073 -12.139 -3.225 1.00 64.31 H new ATOM 0 HH TYR A 66 -3.119 -8.971 -3.560 1.00 33.31 H new ATOM 1105 N LYS A 67 -3.139 -12.393 -10.363 1.00 4.04 N ATOM 1106 CA LYS A 67 -2.651 -11.572 -11.480 1.00 40.42 C ATOM 1107 C LYS A 67 -2.266 -10.162 -11.078 1.00 51.53 C ATOM 1108 O LYS A 67 -3.120 -9.353 -10.691 1.00 52.10 O ATOM 1109 CB LYS A 67 -3.679 -11.541 -12.607 1.00 0.30 C ATOM 1110 CG LYS A 67 -3.876 -12.885 -13.272 1.00 20.05 C ATOM 1111 CD LYS A 67 -4.939 -12.845 -14.362 1.00 21.05 C ATOM 1112 CE LYS A 67 -6.332 -12.565 -13.810 1.00 21.22 C ATOM 1113 NZ LYS A 67 -6.777 -13.611 -12.854 1.00 73.22 N ATOM 0 H LYS A 67 -4.155 -12.471 -10.327 1.00 4.04 H new ATOM 0 HA LYS A 67 -1.735 -12.049 -11.829 1.00 40.42 H new ATOM 0 HB2 LYS A 67 -4.634 -11.196 -12.210 1.00 0.30 H new ATOM 0 HB3 LYS A 67 -3.365 -10.815 -13.357 1.00 0.30 H new ATOM 0 HG2 LYS A 67 -2.931 -13.216 -13.702 1.00 20.05 H new ATOM 0 HG3 LYS A 67 -4.159 -13.621 -12.520 1.00 20.05 H new ATOM 0 HD2 LYS A 67 -4.679 -12.077 -15.090 1.00 21.05 H new ATOM 0 HD3 LYS A 67 -4.947 -13.797 -14.892 1.00 21.05 H new ATOM 0 HE2 LYS A 67 -6.336 -11.595 -13.313 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -7.042 -12.503 -14.635 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -7.796 -13.781 -12.975 1.00 73.22 H new ATOM 0 HZ2 LYS A 67 -6.255 -14.492 -13.036 1.00 73.22 H new ATOM 0 HZ3 LYS A 67 -6.592 -13.293 -11.881 1.00 73.22 H new ATOM 1127 N VAL A 68 -0.973 -9.887 -11.187 1.00 3.30 N ATOM 1128 CA VAL A 68 -0.357 -8.598 -10.882 1.00 64.51 C ATOM 1129 C VAL A 68 0.948 -8.474 -11.700 1.00 31.30 C ATOM 1130 O VAL A 68 1.552 -9.507 -12.053 1.00 23.12 O ATOM 1131 CB VAL A 68 -0.006 -8.429 -9.345 1.00 35.32 C ATOM 1132 CG1 VAL A 68 -1.231 -8.496 -8.472 1.00 3.11 C ATOM 1133 CG2 VAL A 68 1.005 -9.449 -8.871 1.00 62.33 C ATOM 0 H VAL A 68 -0.296 -10.582 -11.503 1.00 3.30 H new ATOM 0 HA VAL A 68 -1.077 -7.821 -11.140 1.00 64.51 H new ATOM 0 HB VAL A 68 0.435 -7.436 -9.253 1.00 35.32 H new ATOM 0 HG11 VAL A 68 -0.941 -8.375 -7.428 1.00 3.11 H new ATOM 0 HG12 VAL A 68 -1.921 -7.700 -8.751 1.00 3.11 H new ATOM 0 HG13 VAL A 68 -1.719 -9.462 -8.604 1.00 3.11 H new ATOM 0 HG21 VAL A 68 1.212 -9.291 -7.813 1.00 62.33 H new ATOM 0 HG22 VAL A 68 0.605 -10.453 -9.017 1.00 62.33 H new ATOM 0 HG23 VAL A 68 1.927 -9.339 -9.441 1.00 62.33 H new ATOM 1143 N PRO A 69 1.396 -7.240 -12.045 1.00 64.00 N ATOM 1144 CA PRO A 69 2.682 -7.038 -12.724 1.00 12.14 C ATOM 1145 C PRO A 69 3.816 -7.380 -11.770 1.00 13.02 C ATOM 1146 O PRO A 69 3.587 -7.511 -10.563 1.00 54.20 O ATOM 1147 CB PRO A 69 2.706 -5.532 -13.044 1.00 74.10 C ATOM 1148 CG PRO A 69 1.309 -5.059 -12.838 1.00 63.22 C ATOM 1149 CD PRO A 69 0.699 -5.973 -11.821 1.00 12.11 C ATOM 0 HA PRO A 69 2.798 -7.658 -13.613 1.00 12.14 H new ATOM 0 HB2 PRO A 69 3.400 -5.003 -12.391 1.00 74.10 H new ATOM 0 HB3 PRO A 69 3.034 -5.354 -14.068 1.00 74.10 H new ATOM 0 HG2 PRO A 69 1.296 -4.026 -12.489 1.00 63.22 H new ATOM 0 HG3 PRO A 69 0.748 -5.087 -13.772 1.00 63.22 H new ATOM 0 HD2 PRO A 69 0.851 -5.604 -10.807 1.00 12.11 H new ATOM 0 HD3 PRO A 69 -0.377 -6.075 -11.965 1.00 12.11 H new ATOM 1157 N ASP A 70 5.021 -7.517 -12.269 1.00 15.43 N ATOM 1158 CA ASP A 70 6.115 -7.871 -11.390 1.00 52.54 C ATOM 1159 C ASP A 70 6.641 -6.622 -10.666 1.00 42.00 C ATOM 1160 O ASP A 70 6.266 -5.493 -11.010 1.00 22.23 O ATOM 1161 CB ASP A 70 7.218 -8.679 -12.107 1.00 42.41 C ATOM 1162 CG ASP A 70 8.216 -9.282 -11.127 1.00 2.02 C ATOM 1163 OD1 ASP A 70 7.787 -10.070 -10.227 1.00 24.35 O ATOM 1164 OD2 ASP A 70 9.405 -8.952 -11.189 1.00 25.24 O ATOM 0 H ASP A 70 5.268 -7.393 -13.251 1.00 15.43 H new ATOM 0 HA ASP A 70 5.733 -8.549 -10.627 1.00 52.54 H new ATOM 0 HB2 ASP A 70 6.760 -9.476 -12.693 1.00 42.41 H new ATOM 0 HB3 ASP A 70 7.745 -8.030 -12.807 1.00 42.41 H new ATOM 1169 N PHE A 71 7.478 -6.817 -9.681 1.00 12.43 N ATOM 1170 CA PHE A 71 7.924 -5.744 -8.821 1.00 43.13 C ATOM 1171 C PHE A 71 8.946 -4.834 -9.505 1.00 55.14 C ATOM 1172 O PHE A 71 9.680 -5.273 -10.409 1.00 13.30 O ATOM 1173 CB PHE A 71 8.510 -6.320 -7.509 1.00 25.42 C ATOM 1174 CG PHE A 71 9.718 -7.232 -7.690 1.00 71.13 C ATOM 1175 CD1 PHE A 71 9.559 -8.586 -7.906 1.00 52.44 C ATOM 1176 CD2 PHE A 71 11.004 -6.725 -7.641 1.00 24.01 C ATOM 1177 CE1 PHE A 71 10.652 -9.412 -8.070 1.00 64.44 C ATOM 1178 CE2 PHE A 71 12.100 -7.544 -7.803 1.00 44.54 C ATOM 1179 CZ PHE A 71 11.922 -8.890 -8.018 1.00 31.02 C ATOM 0 H PHE A 71 7.874 -7.728 -9.449 1.00 12.43 H new ATOM 0 HA PHE A 71 7.053 -5.131 -8.591 1.00 43.13 H new ATOM 0 HB2 PHE A 71 8.793 -5.491 -6.860 1.00 25.42 H new ATOM 0 HB3 PHE A 71 7.728 -6.876 -6.992 1.00 25.42 H new ATOM 0 HD1 PHE A 71 8.564 -9.005 -7.947 1.00 52.44 H new ATOM 0 HD2 PHE A 71 11.152 -5.668 -7.473 1.00 24.01 H new ATOM 0 HE1 PHE A 71 10.509 -10.469 -8.239 1.00 64.44 H new ATOM 0 HE2 PHE A 71 13.096 -7.130 -7.761 1.00 44.54 H new ATOM 0 HZ PHE A 71 12.778 -9.536 -8.146 1.00 31.02 H new ATOM 1189 N PRO A 72 8.986 -3.535 -9.117 1.00 62.20 N ATOM 1190 CA PRO A 72 10.029 -2.627 -9.562 1.00 24.23 C ATOM 1191 C PRO A 72 11.373 -3.164 -9.108 1.00 74.32 C ATOM 1192 O PRO A 72 11.468 -3.786 -8.023 1.00 31.01 O ATOM 1193 CB PRO A 72 9.704 -1.311 -8.847 1.00 55.04 C ATOM 1194 CG PRO A 72 8.256 -1.409 -8.549 1.00 4.23 C ATOM 1195 CD PRO A 72 8.012 -2.856 -8.254 1.00 34.44 C ATOM 0 HA PRO A 72 10.073 -2.505 -10.644 1.00 24.23 H new ATOM 0 HB2 PRO A 72 10.292 -1.197 -7.936 1.00 55.04 H new ATOM 0 HB3 PRO A 72 9.924 -0.450 -9.478 1.00 55.04 H new ATOM 0 HG2 PRO A 72 7.986 -0.783 -7.699 1.00 4.23 H new ATOM 0 HG3 PRO A 72 7.656 -1.073 -9.395 1.00 4.23 H new ATOM 0 HD2 PRO A 72 8.175 -3.087 -7.201 1.00 34.44 H new ATOM 0 HD3 PRO A 72 6.989 -3.150 -8.490 1.00 34.44 H new ATOM 1203 N SER A 73 12.373 -2.936 -9.918 1.00 53.43 N ATOM 1204 CA SER A 73 13.698 -3.477 -9.742 1.00 11.44 C ATOM 1205 C SER A 73 14.274 -3.271 -8.337 1.00 61.52 C ATOM 1206 O SER A 73 13.932 -2.326 -7.627 1.00 45.25 O ATOM 1207 CB SER A 73 14.631 -2.884 -10.785 1.00 33.53 C ATOM 1208 OG SER A 73 15.926 -3.455 -10.709 1.00 52.43 O ATOM 0 H SER A 73 12.286 -2.349 -10.747 1.00 53.43 H new ATOM 0 HA SER A 73 13.613 -4.556 -9.872 1.00 11.44 H new ATOM 0 HB2 SER A 73 14.218 -3.049 -11.780 1.00 33.53 H new ATOM 0 HB3 SER A 73 14.699 -1.805 -10.643 1.00 33.53 H new ATOM 0 HG SER A 73 16.501 -3.054 -11.394 1.00 52.43 H new ATOM 1214 N LYS A 74 15.153 -4.184 -7.966 1.00 23.21 N ATOM 1215 CA LYS A 74 15.841 -4.165 -6.692 1.00 52.44 C ATOM 1216 C LYS A 74 16.855 -3.018 -6.643 1.00 3.14 C ATOM 1217 O LYS A 74 17.365 -2.664 -5.572 1.00 52.25 O ATOM 1218 CB LYS A 74 16.551 -5.506 -6.469 1.00 34.11 C ATOM 1219 CG LYS A 74 17.549 -5.864 -7.569 1.00 14.42 C ATOM 1220 CD LYS A 74 18.246 -7.183 -7.293 1.00 13.42 C ATOM 1221 CE LYS A 74 19.221 -7.529 -8.409 1.00 24.23 C ATOM 1222 NZ LYS A 74 19.953 -8.782 -8.140 1.00 74.41 N ATOM 0 H LYS A 74 15.413 -4.975 -8.555 1.00 23.21 H new ATOM 0 HA LYS A 74 15.108 -4.009 -5.900 1.00 52.44 H new ATOM 0 HB2 LYS A 74 17.073 -5.476 -5.513 1.00 34.11 H new ATOM 0 HB3 LYS A 74 15.803 -6.296 -6.399 1.00 34.11 H new ATOM 0 HG2 LYS A 74 17.030 -5.921 -8.526 1.00 14.42 H new ATOM 0 HG3 LYS A 74 18.293 -5.072 -7.656 1.00 14.42 H new ATOM 0 HD2 LYS A 74 18.780 -7.125 -6.344 1.00 13.42 H new ATOM 0 HD3 LYS A 74 17.505 -7.976 -7.194 1.00 13.42 H new ATOM 0 HE2 LYS A 74 18.677 -7.623 -9.349 1.00 24.23 H new ATOM 0 HE3 LYS A 74 19.933 -6.713 -8.533 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 20.605 -8.978 -8.926 1.00 74.41 H new ATOM 0 HZ2 LYS A 74 20.494 -8.685 -7.257 1.00 74.41 H new ATOM 0 HZ3 LYS A 74 19.276 -9.566 -8.048 1.00 74.41 H new ATOM 1236 N ARG A 75 17.156 -2.462 -7.803 1.00 14.32 N ATOM 1237 CA ARG A 75 18.075 -1.364 -7.910 1.00 20.22 C ATOM 1238 C ARG A 75 17.279 -0.078 -7.847 1.00 64.43 C ATOM 1239 O ARG A 75 16.497 0.224 -8.762 1.00 52.43 O ATOM 1240 CB ARG A 75 18.812 -1.430 -9.228 1.00 32.45 C ATOM 1241 CG ARG A 75 19.933 -0.419 -9.375 1.00 3.24 C ATOM 1242 CD ARG A 75 20.509 -0.454 -10.773 1.00 71.02 C ATOM 1243 NE ARG A 75 20.882 -1.814 -11.186 1.00 75.43 N ATOM 1244 CZ ARG A 75 21.657 -2.113 -12.233 1.00 50.12 C ATOM 1245 NH1 ARG A 75 22.227 -1.148 -12.945 1.00 14.14 N ATOM 1246 NH2 ARG A 75 21.848 -3.382 -12.567 1.00 22.11 N ATOM 0 H ARG A 75 16.764 -2.766 -8.694 1.00 14.32 H new ATOM 0 HA ARG A 75 18.802 -1.408 -7.099 1.00 20.22 H new ATOM 0 HB2 ARG A 75 19.225 -2.431 -9.349 1.00 32.45 H new ATOM 0 HB3 ARG A 75 18.097 -1.281 -10.037 1.00 32.45 H new ATOM 0 HG2 ARG A 75 19.558 0.581 -9.157 1.00 3.24 H new ATOM 0 HG3 ARG A 75 20.717 -0.631 -8.648 1.00 3.24 H new ATOM 0 HD2 ARG A 75 19.779 -0.050 -11.475 1.00 71.02 H new ATOM 0 HD3 ARG A 75 21.386 0.191 -10.819 1.00 71.02 H new ATOM 0 HE ARG A 75 20.522 -2.590 -10.631 1.00 75.43 H new ATOM 0 HH11 ARG A 75 22.075 -0.171 -12.694 1.00 14.14 H new ATOM 0 HH12 ARG A 75 22.817 -1.384 -13.743 1.00 14.14 H new ATOM 0 HH21 ARG A 75 21.404 -4.124 -12.026 1.00 22.11 H new ATOM 0 HH22 ARG A 75 22.438 -3.616 -13.365 1.00 22.11 H new ATOM 1260 N LEU A 76 17.458 0.655 -6.787 1.00 34.44 N ATOM 1261 CA LEU A 76 16.713 1.866 -6.568 1.00 51.34 C ATOM 1262 C LEU A 76 17.658 3.014 -6.249 1.00 10.14 C ATOM 1263 O LEU A 76 18.791 2.788 -5.796 1.00 73.12 O ATOM 1264 CB LEU A 76 15.746 1.663 -5.395 1.00 51.53 C ATOM 1265 CG LEU A 76 14.709 0.551 -5.553 1.00 60.14 C ATOM 1266 CD1 LEU A 76 13.929 0.392 -4.274 1.00 33.02 C ATOM 1267 CD2 LEU A 76 13.760 0.863 -6.706 1.00 43.01 C ATOM 0 H LEU A 76 18.125 0.432 -6.048 1.00 34.44 H new ATOM 0 HA LEU A 76 16.154 2.107 -7.472 1.00 51.34 H new ATOM 0 HB2 LEU A 76 16.333 1.458 -4.500 1.00 51.53 H new ATOM 0 HB3 LEU A 76 15.218 2.601 -5.222 1.00 51.53 H new ATOM 0 HG LEU A 76 15.229 -0.381 -5.775 1.00 60.14 H new ATOM 0 HD11 LEU A 76 13.192 -0.402 -4.394 1.00 33.02 H new ATOM 0 HD12 LEU A 76 14.610 0.136 -3.462 1.00 33.02 H new ATOM 0 HD13 LEU A 76 13.420 1.327 -4.039 1.00 33.02 H new ATOM 0 HD21 LEU A 76 13.029 0.060 -6.803 1.00 43.01 H new ATOM 0 HD22 LEU A 76 13.243 1.802 -6.508 1.00 43.01 H new ATOM 0 HD23 LEU A 76 14.329 0.950 -7.632 1.00 43.01 H new ATOM 1279 N PRO A 77 17.229 4.259 -6.506 1.00 63.25 N ATOM 1280 CA PRO A 77 17.998 5.449 -6.155 1.00 55.51 C ATOM 1281 C PRO A 77 18.114 5.617 -4.637 1.00 41.45 C ATOM 1282 O PRO A 77 17.352 5.014 -3.876 1.00 53.24 O ATOM 1283 CB PRO A 77 17.179 6.612 -6.748 1.00 15.14 C ATOM 1284 CG PRO A 77 16.254 5.978 -7.723 1.00 73.42 C ATOM 1285 CD PRO A 77 15.969 4.612 -7.186 1.00 52.13 C ATOM 0 HA PRO A 77 19.018 5.398 -6.535 1.00 55.51 H new ATOM 0 HB2 PRO A 77 16.629 7.143 -5.971 1.00 15.14 H new ATOM 0 HB3 PRO A 77 17.826 7.341 -7.236 1.00 15.14 H new ATOM 0 HG2 PRO A 77 15.336 6.557 -7.825 1.00 73.42 H new ATOM 0 HG3 PRO A 77 16.707 5.922 -8.713 1.00 73.42 H new ATOM 0 HD2 PRO A 77 15.125 4.616 -6.497 1.00 52.13 H new ATOM 0 HD3 PRO A 77 15.727 3.907 -7.981 1.00 52.13 H new ATOM 1293 N ASN A 78 19.069 6.431 -4.210 1.00 13.20 N ATOM 1294 CA ASN A 78 19.299 6.731 -2.778 1.00 31.54 C ATOM 1295 C ASN A 78 18.195 7.741 -2.299 1.00 70.42 C ATOM 1296 O ASN A 78 18.186 8.232 -1.170 1.00 32.44 O ATOM 1297 CB ASN A 78 20.737 7.307 -2.616 1.00 64.33 C ATOM 1298 CG ASN A 78 21.277 7.362 -1.177 1.00 23.13 C ATOM 1299 OD1 ASN A 78 22.581 7.277 -1.045 1.00 23.10 O flip ATOM 1300 ND2 ASN A 78 20.548 7.486 -0.208 1.00 65.34 N flip ATOM 0 H ASN A 78 19.715 6.910 -4.837 1.00 13.20 H new ATOM 0 HA ASN A 78 19.227 5.835 -2.161 1.00 31.54 H new ATOM 0 HB2 ASN A 78 21.419 6.706 -3.217 1.00 64.33 H new ATOM 0 HB3 ASN A 78 20.753 8.316 -3.029 1.00 64.33 H new ATOM 0 HD21 ASN A 78 19.538 7.550 -0.335 1.00 65.34 H new ATOM 0 HD22 ASN A 78 20.948 7.526 0.729 1.00 65.34 H new ATOM 1307 N TRP A 79 17.287 8.030 -3.227 1.00 35.33 N ATOM 1308 CA TRP A 79 16.060 8.793 -3.028 1.00 61.23 C ATOM 1309 C TRP A 79 16.219 10.300 -2.997 1.00 32.23 C ATOM 1310 O TRP A 79 15.981 10.958 -4.000 1.00 44.14 O ATOM 1311 CB TRP A 79 15.237 8.308 -1.824 1.00 1.44 C ATOM 1312 CG TRP A 79 14.856 6.860 -1.876 1.00 14.01 C ATOM 1313 CD1 TRP A 79 15.154 5.911 -0.946 1.00 71.12 C ATOM 1314 CD2 TRP A 79 14.141 6.187 -2.922 1.00 52.40 C ATOM 1315 NE1 TRP A 79 14.641 4.700 -1.329 1.00 41.13 N ATOM 1316 CE2 TRP A 79 14.024 4.841 -2.538 1.00 65.41 C ATOM 1317 CE3 TRP A 79 13.582 6.593 -4.140 1.00 22.31 C ATOM 1318 CZ2 TRP A 79 13.378 3.903 -3.315 1.00 61.32 C ATOM 1319 CZ3 TRP A 79 12.941 5.651 -4.918 1.00 72.43 C ATOM 1320 CH2 TRP A 79 12.842 4.318 -4.502 1.00 71.02 C ATOM 0 H TRP A 79 17.395 7.720 -4.193 1.00 35.33 H new ATOM 0 HA TRP A 79 15.500 8.581 -3.939 1.00 61.23 H new ATOM 0 HB2 TRP A 79 15.808 8.488 -0.913 1.00 1.44 H new ATOM 0 HB3 TRP A 79 14.329 8.907 -1.755 1.00 1.44 H new ATOM 0 HD1 TRP A 79 15.713 6.087 -0.039 1.00 71.12 H new ATOM 0 HE1 TRP A 79 14.709 3.833 -0.796 1.00 41.13 H new ATOM 0 HE3 TRP A 79 13.651 7.621 -4.463 1.00 22.31 H new ATOM 0 HZ2 TRP A 79 13.298 2.874 -2.996 1.00 61.32 H new ATOM 0 HZ3 TRP A 79 12.509 5.947 -5.863 1.00 72.43 H new ATOM 0 HH2 TRP A 79 12.332 3.604 -5.131 1.00 71.02 H new ATOM 1331 N ARG A 80 16.666 10.822 -1.857 1.00 52.34 N ATOM 1332 CA ARG A 80 16.650 12.273 -1.543 1.00 42.03 C ATOM 1333 C ARG A 80 17.132 13.197 -2.660 1.00 41.45 C ATOM 1334 O ARG A 80 16.533 14.241 -2.888 1.00 33.32 O ATOM 1335 CB ARG A 80 17.409 12.573 -0.257 1.00 33.14 C ATOM 1336 CG ARG A 80 16.834 11.928 0.987 1.00 43.20 C ATOM 1337 CD ARG A 80 17.636 12.336 2.205 1.00 11.52 C ATOM 1338 NE ARG A 80 17.150 11.709 3.434 1.00 52.03 N ATOM 1339 CZ ARG A 80 17.778 11.782 4.611 1.00 71.31 C ATOM 1340 NH1 ARG A 80 18.892 12.510 4.727 1.00 5.04 N ATOM 1341 NH2 ARG A 80 17.285 11.145 5.678 1.00 11.31 N ATOM 0 H ARG A 80 17.057 10.252 -1.107 1.00 52.34 H new ATOM 0 HA ARG A 80 15.591 12.498 -1.417 1.00 42.03 H new ATOM 0 HB2 ARG A 80 18.441 12.243 -0.376 1.00 33.14 H new ATOM 0 HB3 ARG A 80 17.434 13.653 -0.110 1.00 33.14 H new ATOM 0 HG2 ARG A 80 15.793 12.225 1.112 1.00 43.20 H new ATOM 0 HG3 ARG A 80 16.845 10.843 0.882 1.00 43.20 H new ATOM 0 HD2 ARG A 80 18.682 12.068 2.054 1.00 11.52 H new ATOM 0 HD3 ARG A 80 17.598 13.420 2.315 1.00 11.52 H new ATOM 0 HE ARG A 80 16.277 11.183 3.390 1.00 52.03 H new ATOM 0 HH11 ARG A 80 19.262 13.009 3.918 1.00 5.04 H new ATOM 0 HH12 ARG A 80 19.373 12.567 5.625 1.00 5.04 H new ATOM 0 HH21 ARG A 80 16.426 10.601 5.595 1.00 11.31 H new ATOM 0 HH22 ARG A 80 17.768 11.203 6.575 1.00 11.31 H new ATOM 1355 N THR A 81 18.174 12.813 -3.353 1.00 32.01 N ATOM 1356 CA THR A 81 18.740 13.641 -4.403 1.00 45.12 C ATOM 1357 C THR A 81 17.737 13.886 -5.556 1.00 11.32 C ATOM 1358 O THR A 81 17.718 14.966 -6.155 1.00 72.12 O ATOM 1359 CB THR A 81 20.041 13.017 -4.926 1.00 11.12 C ATOM 1360 OG1 THR A 81 20.926 12.818 -3.809 1.00 32.04 O ATOM 1361 CG2 THR A 81 20.723 13.917 -5.947 1.00 12.41 C ATOM 0 H THR A 81 18.656 11.925 -3.212 1.00 32.01 H new ATOM 0 HA THR A 81 18.966 14.616 -3.971 1.00 45.12 H new ATOM 0 HB THR A 81 19.804 12.073 -5.416 1.00 11.12 H new ATOM 0 HG1 THR A 81 21.764 12.418 -4.123 1.00 32.04 H new ATOM 0 HG21 THR A 81 21.641 13.442 -6.295 1.00 12.41 H new ATOM 0 HG22 THR A 81 20.055 14.079 -6.793 1.00 12.41 H new ATOM 0 HG23 THR A 81 20.962 14.875 -5.485 1.00 12.41 H new ATOM 1369 N ARG A 82 16.896 12.910 -5.834 1.00 12.22 N ATOM 1370 CA ARG A 82 15.911 13.063 -6.886 1.00 35.31 C ATOM 1371 C ARG A 82 14.544 13.347 -6.272 1.00 34.05 C ATOM 1372 O ARG A 82 13.788 14.188 -6.760 1.00 31.12 O ATOM 1373 CB ARG A 82 15.870 11.827 -7.791 1.00 34.14 C ATOM 1374 CG ARG A 82 14.960 11.985 -9.000 1.00 3.24 C ATOM 1375 CD ARG A 82 15.023 10.771 -9.905 1.00 53.12 C ATOM 1376 NE ARG A 82 14.216 10.944 -11.122 1.00 34.33 N ATOM 1377 CZ ARG A 82 14.301 10.170 -12.211 1.00 61.01 C ATOM 1378 NH1 ARG A 82 15.117 9.136 -12.233 1.00 54.34 N ATOM 1379 NH2 ARG A 82 13.562 10.427 -13.270 1.00 63.44 N ATOM 0 H ARG A 82 16.874 12.011 -5.352 1.00 12.22 H new ATOM 0 HA ARG A 82 16.194 13.909 -7.513 1.00 35.31 H new ATOM 0 HB2 ARG A 82 16.880 11.605 -8.134 1.00 34.14 H new ATOM 0 HB3 ARG A 82 15.537 10.970 -7.206 1.00 34.14 H new ATOM 0 HG2 ARG A 82 13.934 12.139 -8.667 1.00 3.24 H new ATOM 0 HG3 ARG A 82 15.249 12.874 -9.561 1.00 3.24 H new ATOM 0 HD2 ARG A 82 16.060 10.580 -10.182 1.00 53.12 H new ATOM 0 HD3 ARG A 82 14.672 9.895 -9.360 1.00 53.12 H new ATOM 0 HE ARG A 82 13.542 11.710 -11.138 1.00 34.33 H new ATOM 0 HH11 ARG A 82 15.689 8.921 -11.417 1.00 54.34 H new ATOM 0 HH12 ARG A 82 15.176 8.551 -13.066 1.00 54.34 H new ATOM 0 HH21 ARG A 82 12.920 11.220 -13.264 1.00 63.44 H new ATOM 0 HH22 ARG A 82 13.631 9.833 -14.097 1.00 63.44 H new ATOM 1393 N GLY A 83 14.247 12.659 -5.197 1.00 31.22 N ATOM 1394 CA GLY A 83 13.018 12.876 -4.501 1.00 55.12 C ATOM 1395 C GLY A 83 12.288 11.590 -4.215 1.00 1.45 C ATOM 1396 O GLY A 83 12.638 10.532 -4.739 1.00 41.40 O ATOM 0 H GLY A 83 14.847 11.942 -4.789 1.00 31.22 H new ATOM 0 HA2 GLY A 83 13.221 13.392 -3.563 1.00 55.12 H new ATOM 0 HA3 GLY A 83 12.378 13.530 -5.093 1.00 55.12 H new ATOM 1400 N LEU A 84 11.302 11.668 -3.352 1.00 30.13 N ATOM 1401 CA LEU A 84 10.445 10.536 -3.049 1.00 71.03 C ATOM 1402 C LEU A 84 9.284 10.436 -3.997 1.00 24.14 C ATOM 1403 O LEU A 84 8.582 9.419 -4.021 1.00 55.13 O ATOM 1404 CB LEU A 84 10.011 10.414 -1.574 1.00 51.32 C ATOM 1405 CG LEU A 84 11.091 9.971 -0.575 1.00 70.42 C ATOM 1406 CD1 LEU A 84 11.810 8.731 -1.078 1.00 23.25 C ATOM 1407 CD2 LEU A 84 12.067 11.079 -0.214 1.00 61.31 C ATOM 0 H LEU A 84 11.068 12.517 -2.838 1.00 30.13 H new ATOM 0 HA LEU A 84 11.082 9.666 -3.209 1.00 71.03 H new ATOM 0 HB2 LEU A 84 9.624 11.381 -1.251 1.00 51.32 H new ATOM 0 HB3 LEU A 84 9.185 9.705 -1.519 1.00 51.32 H new ATOM 0 HG LEU A 84 10.577 9.720 0.353 1.00 70.42 H new ATOM 0 HD11 LEU A 84 12.571 8.434 -0.356 1.00 23.25 H new ATOM 0 HD12 LEU A 84 11.092 7.920 -1.204 1.00 23.25 H new ATOM 0 HD13 LEU A 84 12.283 8.948 -2.035 1.00 23.25 H new ATOM 0 HD21 LEU A 84 12.803 10.699 0.495 1.00 61.31 H new ATOM 0 HD22 LEU A 84 12.575 11.424 -1.115 1.00 61.31 H new ATOM 0 HD23 LEU A 84 11.524 11.910 0.237 1.00 61.31 H new ATOM 1419 N GLU A 85 9.076 11.502 -4.756 1.00 40.10 N ATOM 1420 CA GLU A 85 7.992 11.612 -5.723 1.00 1.54 C ATOM 1421 C GLU A 85 7.973 10.407 -6.666 1.00 21.22 C ATOM 1422 O GLU A 85 6.915 9.833 -6.924 1.00 14.43 O ATOM 1423 CB GLU A 85 8.185 12.894 -6.527 1.00 52.24 C ATOM 1424 CG GLU A 85 7.128 13.166 -7.574 1.00 70.02 C ATOM 1425 CD GLU A 85 7.398 14.446 -8.318 1.00 1.30 C ATOM 1426 OE1 GLU A 85 7.153 15.534 -7.749 1.00 72.30 O ATOM 1427 OE2 GLU A 85 7.851 14.392 -9.473 1.00 1.22 O ATOM 0 H GLU A 85 9.668 12.332 -4.717 1.00 40.10 H new ATOM 0 HA GLU A 85 7.041 11.637 -5.191 1.00 1.54 H new ATOM 0 HB2 GLU A 85 8.213 13.736 -5.836 1.00 52.24 H new ATOM 0 HB3 GLU A 85 9.157 12.852 -7.018 1.00 52.24 H new ATOM 0 HG2 GLU A 85 7.092 12.336 -8.279 1.00 70.02 H new ATOM 0 HG3 GLU A 85 6.149 13.222 -7.097 1.00 70.02 H new ATOM 1434 N GLN A 86 9.140 10.010 -7.136 1.00 40.44 N ATOM 1435 CA GLN A 86 9.269 8.878 -8.039 1.00 50.44 C ATOM 1436 C GLN A 86 8.859 7.583 -7.345 1.00 23.10 C ATOM 1437 O GLN A 86 8.153 6.758 -7.924 1.00 22.12 O ATOM 1438 CB GLN A 86 10.705 8.747 -8.605 1.00 34.24 C ATOM 1439 CG GLN A 86 11.191 9.926 -9.467 1.00 1.14 C ATOM 1440 CD GLN A 86 11.338 11.233 -8.701 1.00 13.21 C ATOM 1441 OE1 GLN A 86 11.618 11.242 -7.510 1.00 70.24 O ATOM 1442 NE2 GLN A 86 11.144 12.329 -9.369 1.00 3.22 N ATOM 0 H GLN A 86 10.025 10.461 -6.904 1.00 40.44 H new ATOM 0 HA GLN A 86 8.597 9.061 -8.878 1.00 50.44 H new ATOM 0 HB2 GLN A 86 11.395 8.622 -7.771 1.00 34.24 H new ATOM 0 HB3 GLN A 86 10.759 7.837 -9.203 1.00 34.24 H new ATOM 0 HG2 GLN A 86 12.152 9.667 -9.911 1.00 1.14 H new ATOM 0 HG3 GLN A 86 10.491 10.075 -10.289 1.00 1.14 H new ATOM 0 HE21 GLN A 86 10.912 12.287 -10.361 1.00 3.22 H new ATOM 0 HE22 GLN A 86 11.224 13.232 -8.902 1.00 3.22 H new ATOM 1451 N ARG A 87 9.278 7.435 -6.091 1.00 11.33 N ATOM 1452 CA ARG A 87 8.955 6.248 -5.304 1.00 32.11 C ATOM 1453 C ARG A 87 7.451 6.168 -5.075 1.00 3.44 C ATOM 1454 O ARG A 87 6.816 5.187 -5.415 1.00 71.11 O ATOM 1455 CB ARG A 87 9.702 6.282 -3.959 1.00 75.23 C ATOM 1456 CG ARG A 87 9.408 5.106 -3.030 1.00 30.13 C ATOM 1457 CD ARG A 87 10.246 5.187 -1.761 1.00 25.13 C ATOM 1458 NE ARG A 87 9.927 4.115 -0.806 1.00 15.53 N ATOM 1459 CZ ARG A 87 10.691 3.753 0.246 1.00 11.32 C ATOM 1460 NH1 ARG A 87 11.913 4.277 0.409 1.00 43.12 N ATOM 1461 NH2 ARG A 87 10.237 2.851 1.116 1.00 62.20 N ATOM 0 H ARG A 87 9.844 8.125 -5.597 1.00 11.33 H new ATOM 0 HA ARG A 87 9.273 5.362 -5.854 1.00 32.11 H new ATOM 0 HB2 ARG A 87 10.774 6.311 -4.156 1.00 75.23 H new ATOM 0 HB3 ARG A 87 9.447 7.207 -3.442 1.00 75.23 H new ATOM 0 HG2 ARG A 87 8.349 5.099 -2.771 1.00 30.13 H new ATOM 0 HG3 ARG A 87 9.615 4.169 -3.547 1.00 30.13 H new ATOM 0 HD2 ARG A 87 11.303 5.133 -2.023 1.00 25.13 H new ATOM 0 HD3 ARG A 87 10.085 6.154 -1.284 1.00 25.13 H new ATOM 0 HE ARG A 87 9.057 3.603 -0.951 1.00 15.53 H new ATOM 0 HH11 ARG A 87 12.271 4.954 -0.264 1.00 43.12 H new ATOM 0 HH12 ARG A 87 12.485 3.999 1.206 1.00 43.12 H new ATOM 0 HH21 ARG A 87 9.314 2.436 0.986 1.00 62.20 H new ATOM 0 HH22 ARG A 87 10.812 2.576 1.912 1.00 62.20 H new ATOM 1475 N ARG A 88 6.889 7.215 -4.526 1.00 51.32 N ATOM 1476 CA ARG A 88 5.470 7.260 -4.285 1.00 72.13 C ATOM 1477 C ARG A 88 4.618 7.120 -5.562 1.00 21.01 C ATOM 1478 O ARG A 88 3.610 6.459 -5.545 1.00 1.21 O ATOM 1479 CB ARG A 88 5.043 8.410 -3.312 1.00 64.21 C ATOM 1480 CG ARG A 88 5.367 9.863 -3.706 1.00 13.54 C ATOM 1481 CD ARG A 88 4.500 10.364 -4.843 1.00 2.41 C ATOM 1482 NE ARG A 88 3.082 10.248 -4.510 1.00 1.01 N ATOM 1483 CZ ARG A 88 2.113 10.028 -5.393 1.00 71.51 C ATOM 1484 NH1 ARG A 88 2.368 10.069 -6.692 1.00 71.21 N ATOM 1485 NH2 ARG A 88 0.891 9.814 -4.974 1.00 42.43 N ATOM 0 H ARG A 88 7.396 8.051 -4.236 1.00 51.32 H new ATOM 0 HA ARG A 88 5.233 6.352 -3.730 1.00 72.13 H new ATOM 0 HB2 ARG A 88 3.965 8.338 -3.167 1.00 64.21 H new ATOM 0 HB3 ARG A 88 5.509 8.217 -2.346 1.00 64.21 H new ATOM 0 HG2 ARG A 88 5.232 10.510 -2.839 1.00 13.54 H new ATOM 0 HG3 ARG A 88 6.416 9.932 -3.995 1.00 13.54 H new ATOM 0 HD2 ARG A 88 4.743 11.404 -5.059 1.00 2.41 H new ATOM 0 HD3 ARG A 88 4.713 9.793 -5.747 1.00 2.41 H new ATOM 0 HE ARG A 88 2.817 10.343 -3.530 1.00 1.01 H new ATOM 0 HH11 ARG A 88 3.313 10.270 -7.020 1.00 71.21 H new ATOM 0 HH12 ARG A 88 1.620 9.899 -7.364 1.00 71.21 H new ATOM 0 HH21 ARG A 88 0.687 9.817 -3.975 1.00 42.43 H new ATOM 0 HH22 ARG A 88 0.143 9.645 -5.647 1.00 42.43 H new ATOM 1499 N GLN A 89 5.046 7.722 -6.667 1.00 13.21 N ATOM 1500 CA GLN A 89 4.289 7.626 -7.922 1.00 71.01 C ATOM 1501 C GLN A 89 4.414 6.241 -8.575 1.00 53.53 C ATOM 1502 O GLN A 89 3.408 5.664 -9.021 1.00 73.45 O ATOM 1503 CB GLN A 89 4.708 8.715 -8.912 1.00 13.41 C ATOM 1504 CG GLN A 89 3.955 8.667 -10.235 1.00 65.34 C ATOM 1505 CD GLN A 89 4.370 9.765 -11.172 1.00 53.41 C ATOM 1506 OE1 GLN A 89 5.294 9.598 -11.968 1.00 25.22 O ATOM 1507 NE2 GLN A 89 3.699 10.882 -11.095 1.00 51.31 N ATOM 0 H GLN A 89 5.901 8.276 -6.726 1.00 13.21 H new ATOM 0 HA GLN A 89 3.242 7.776 -7.660 1.00 71.01 H new ATOM 0 HB2 GLN A 89 4.552 9.691 -8.452 1.00 13.41 H new ATOM 0 HB3 GLN A 89 5.776 8.622 -9.109 1.00 13.41 H new ATOM 0 HG2 GLN A 89 4.126 7.702 -10.712 1.00 65.34 H new ATOM 0 HG3 GLN A 89 2.885 8.742 -10.043 1.00 65.34 H new ATOM 0 HE21 GLN A 89 2.940 10.976 -10.420 1.00 51.31 H new ATOM 0 HE22 GLN A 89 3.933 11.661 -11.710 1.00 51.31 H new ATOM 1516 N GLY A 90 5.632 5.718 -8.626 1.00 51.32 N ATOM 1517 CA GLY A 90 5.873 4.425 -9.255 1.00 33.54 C ATOM 1518 C GLY A 90 5.181 3.298 -8.527 1.00 2.23 C ATOM 1519 O GLY A 90 4.505 2.461 -9.140 1.00 43.43 O ATOM 0 H GLY A 90 6.464 6.166 -8.242 1.00 51.32 H new ATOM 0 HA2 GLY A 90 5.526 4.455 -10.288 1.00 33.54 H new ATOM 0 HA3 GLY A 90 6.945 4.232 -9.285 1.00 33.54 H new ATOM 1523 N LEU A 91 5.318 3.284 -7.220 1.00 0.12 N ATOM 1524 CA LEU A 91 4.693 2.261 -6.403 1.00 45.35 C ATOM 1525 C LEU A 91 3.178 2.425 -6.386 1.00 21.33 C ATOM 1526 O LEU A 91 2.444 1.439 -6.261 1.00 4.32 O ATOM 1527 CB LEU A 91 5.300 2.203 -4.978 1.00 42.11 C ATOM 1528 CG LEU A 91 6.734 1.598 -4.832 1.00 42.42 C ATOM 1529 CD1 LEU A 91 6.752 0.155 -5.254 1.00 51.34 C ATOM 1530 CD2 LEU A 91 7.783 2.370 -5.615 1.00 1.41 C ATOM 0 H LEU A 91 5.859 3.972 -6.696 1.00 0.12 H new ATOM 0 HA LEU A 91 4.907 1.295 -6.861 1.00 45.35 H new ATOM 0 HB2 LEU A 91 5.320 3.217 -4.579 1.00 42.11 H new ATOM 0 HB3 LEU A 91 4.625 1.625 -4.347 1.00 42.11 H new ATOM 0 HG LEU A 91 6.990 1.675 -3.775 1.00 42.42 H new ATOM 0 HD11 LEU A 91 7.760 -0.244 -5.144 1.00 51.34 H new ATOM 0 HD12 LEU A 91 6.066 -0.416 -4.628 1.00 51.34 H new ATOM 0 HD13 LEU A 91 6.443 0.077 -6.296 1.00 51.34 H new ATOM 0 HD21 LEU A 91 8.758 1.903 -5.475 1.00 1.41 H new ATOM 0 HD22 LEU A 91 7.525 2.362 -6.674 1.00 1.41 H new ATOM 0 HD23 LEU A 91 7.819 3.399 -5.258 1.00 1.41 H new ATOM 1542 N GLU A 92 2.718 3.669 -6.543 1.00 21.22 N ATOM 1543 CA GLU A 92 1.296 3.969 -6.660 1.00 55.32 C ATOM 1544 C GLU A 92 0.734 3.263 -7.879 1.00 12.53 C ATOM 1545 O GLU A 92 -0.299 2.599 -7.809 1.00 53.40 O ATOM 1546 CB GLU A 92 1.087 5.475 -6.817 1.00 21.42 C ATOM 1547 CG GLU A 92 -0.351 5.885 -7.014 1.00 33.21 C ATOM 1548 CD GLU A 92 -0.505 7.365 -7.255 1.00 32.20 C ATOM 1549 OE1 GLU A 92 -0.666 8.133 -6.287 1.00 52.30 O ATOM 1550 OE2 GLU A 92 -0.473 7.787 -8.437 1.00 11.43 O ATOM 0 H GLU A 92 3.321 4.490 -6.592 1.00 21.22 H new ATOM 0 HA GLU A 92 0.786 3.627 -5.760 1.00 55.32 H new ATOM 0 HB2 GLU A 92 1.478 5.978 -5.933 1.00 21.42 H new ATOM 0 HB3 GLU A 92 1.672 5.824 -7.668 1.00 21.42 H new ATOM 0 HG2 GLU A 92 -0.768 5.338 -7.859 1.00 33.21 H new ATOM 0 HG3 GLU A 92 -0.929 5.602 -6.134 1.00 33.21 H new ATOM 1557 N ALA A 93 1.455 3.393 -8.992 1.00 71.40 N ATOM 1558 CA ALA A 93 1.060 2.804 -10.257 1.00 53.35 C ATOM 1559 C ALA A 93 0.901 1.307 -10.125 1.00 41.32 C ATOM 1560 O ALA A 93 -0.042 0.720 -10.675 1.00 42.14 O ATOM 1561 CB ALA A 93 2.064 3.144 -11.347 1.00 54.13 C ATOM 0 H ALA A 93 2.332 3.913 -9.035 1.00 71.40 H new ATOM 0 HA ALA A 93 0.095 3.225 -10.540 1.00 53.35 H new ATOM 0 HB1 ALA A 93 1.748 2.692 -12.287 1.00 54.13 H new ATOM 0 HB2 ALA A 93 2.120 4.226 -11.466 1.00 54.13 H new ATOM 0 HB3 ALA A 93 3.045 2.758 -11.071 1.00 54.13 H new ATOM 1567 N TYR A 94 1.806 0.690 -9.387 1.00 25.32 N ATOM 1568 CA TYR A 94 1.732 -0.728 -9.144 1.00 30.22 C ATOM 1569 C TYR A 94 0.532 -1.087 -8.252 1.00 13.23 C ATOM 1570 O TYR A 94 -0.326 -1.864 -8.666 1.00 51.41 O ATOM 1571 CB TYR A 94 3.043 -1.277 -8.545 1.00 1.50 C ATOM 1572 CG TYR A 94 2.973 -2.758 -8.190 1.00 13.43 C ATOM 1573 CD1 TYR A 94 3.300 -3.748 -9.107 1.00 70.50 C ATOM 1574 CD2 TYR A 94 2.559 -3.155 -6.934 1.00 31.20 C ATOM 1575 CE1 TYR A 94 3.211 -5.085 -8.763 1.00 21.12 C ATOM 1576 CE2 TYR A 94 2.465 -4.477 -6.591 1.00 34.44 C ATOM 1577 CZ TYR A 94 2.786 -5.437 -7.496 1.00 15.30 C ATOM 1578 OH TYR A 94 2.667 -6.765 -7.139 1.00 1.13 O ATOM 0 H TYR A 94 2.600 1.155 -8.947 1.00 25.32 H new ATOM 0 HA TYR A 94 1.586 -1.206 -10.112 1.00 30.22 H new ATOM 0 HB2 TYR A 94 3.853 -1.120 -9.257 1.00 1.50 H new ATOM 0 HB3 TYR A 94 3.291 -0.708 -7.649 1.00 1.50 H new ATOM 0 HD1 TYR A 94 3.627 -3.472 -10.098 1.00 70.50 H new ATOM 0 HD2 TYR A 94 2.303 -2.403 -6.203 1.00 31.20 H new ATOM 0 HE1 TYR A 94 3.472 -5.849 -9.480 1.00 21.12 H new ATOM 0 HE2 TYR A 94 2.136 -4.756 -5.601 1.00 34.44 H new ATOM 0 HH TYR A 94 3.408 -7.276 -7.527 1.00 1.13 H new ATOM 1588 N ILE A 95 0.467 -0.502 -7.040 1.00 32.43 N ATOM 1589 CA ILE A 95 -0.586 -0.855 -6.068 1.00 3.32 C ATOM 1590 C ILE A 95 -2.000 -0.555 -6.655 1.00 41.23 C ATOM 1591 O ILE A 95 -2.935 -1.342 -6.486 1.00 62.11 O ATOM 1592 CB ILE A 95 -0.411 -0.125 -4.678 1.00 11.53 C ATOM 1593 CG1 ILE A 95 1.009 -0.353 -4.057 1.00 51.41 C ATOM 1594 CG2 ILE A 95 -1.469 -0.631 -3.683 1.00 53.05 C ATOM 1595 CD1 ILE A 95 1.315 -1.780 -3.561 1.00 62.54 C ATOM 0 H ILE A 95 1.122 0.208 -6.714 1.00 32.43 H new ATOM 0 HA ILE A 95 -0.488 -1.925 -5.883 1.00 3.32 H new ATOM 0 HB ILE A 95 -0.534 0.942 -4.864 1.00 11.53 H new ATOM 0 HG12 ILE A 95 1.756 -0.082 -4.803 1.00 51.41 H new ATOM 0 HG13 ILE A 95 1.131 0.334 -3.220 1.00 51.41 H new ATOM 0 HG21 ILE A 95 -1.342 -0.123 -2.727 1.00 53.05 H new ATOM 0 HG22 ILE A 95 -2.465 -0.424 -4.074 1.00 53.05 H new ATOM 0 HG23 ILE A 95 -1.351 -1.705 -3.542 1.00 53.05 H new ATOM 0 HD11 ILE A 95 2.325 -1.815 -3.153 1.00 62.54 H new ATOM 0 HD12 ILE A 95 0.601 -2.057 -2.786 1.00 62.54 H new ATOM 0 HD13 ILE A 95 1.236 -2.479 -4.393 1.00 62.54 H new ATOM 1607 N GLN A 96 -2.136 0.561 -7.377 1.00 54.33 N ATOM 1608 CA GLN A 96 -3.421 0.904 -7.989 1.00 32.42 C ATOM 1609 C GLN A 96 -3.746 -0.067 -9.121 1.00 21.51 C ATOM 1610 O GLN A 96 -4.891 -0.526 -9.265 1.00 70.34 O ATOM 1611 CB GLN A 96 -3.426 2.326 -8.559 1.00 43.13 C ATOM 1612 CG GLN A 96 -4.799 2.733 -9.080 1.00 43.21 C ATOM 1613 CD GLN A 96 -4.814 4.040 -9.831 1.00 44.32 C ATOM 1614 OE1 GLN A 96 -4.015 4.950 -9.578 1.00 33.52 O ATOM 1615 NE2 GLN A 96 -5.728 4.140 -10.763 1.00 74.03 N ATOM 0 H GLN A 96 -1.387 1.231 -7.550 1.00 54.33 H new ATOM 0 HA GLN A 96 -4.171 0.839 -7.201 1.00 32.42 H new ATOM 0 HB2 GLN A 96 -3.110 3.027 -7.786 1.00 43.13 H new ATOM 0 HB3 GLN A 96 -2.698 2.394 -9.367 1.00 43.13 H new ATOM 0 HG2 GLN A 96 -5.174 1.947 -9.735 1.00 43.21 H new ATOM 0 HG3 GLN A 96 -5.488 2.803 -8.238 1.00 43.21 H new ATOM 0 HE21 GLN A 96 -6.366 3.363 -10.937 1.00 74.03 H new ATOM 0 HE22 GLN A 96 -5.802 4.994 -11.315 1.00 74.03 H new ATOM 1624 N GLY A 97 -2.731 -0.378 -9.916 1.00 21.34 N ATOM 1625 CA GLY A 97 -2.905 -1.253 -11.048 1.00 52.24 C ATOM 1626 C GLY A 97 -3.326 -2.635 -10.640 1.00 10.53 C ATOM 1627 O GLY A 97 -4.258 -3.198 -11.209 1.00 21.24 O ATOM 0 H GLY A 97 -1.780 -0.032 -9.790 1.00 21.34 H new ATOM 0 HA2 GLY A 97 -3.653 -0.831 -11.719 1.00 52.24 H new ATOM 0 HA3 GLY A 97 -1.971 -1.310 -11.607 1.00 52.24 H new ATOM 1631 N ILE A 98 -2.672 -3.165 -9.626 1.00 44.31 N ATOM 1632 CA ILE A 98 -2.962 -4.503 -9.144 1.00 24.40 C ATOM 1633 C ILE A 98 -4.351 -4.588 -8.540 1.00 3.44 C ATOM 1634 O ILE A 98 -5.020 -5.637 -8.625 1.00 1.53 O ATOM 1635 CB ILE A 98 -1.905 -5.000 -8.142 1.00 4.14 C ATOM 1636 CG1 ILE A 98 -1.854 -4.127 -6.894 1.00 72.23 C ATOM 1637 CG2 ILE A 98 -0.581 -5.081 -8.810 1.00 4.53 C ATOM 1638 CD1 ILE A 98 -0.770 -4.474 -5.895 1.00 23.14 C ATOM 0 H ILE A 98 -1.930 -2.686 -9.115 1.00 44.31 H new ATOM 0 HA ILE A 98 -2.927 -5.161 -10.013 1.00 24.40 H new ATOM 0 HB ILE A 98 -2.187 -5.998 -7.807 1.00 4.14 H new ATOM 0 HG12 ILE A 98 -1.720 -3.090 -7.203 1.00 72.23 H new ATOM 0 HG13 ILE A 98 -2.819 -4.187 -6.391 1.00 72.23 H new ATOM 0 HG21 ILE A 98 0.165 -5.433 -8.098 1.00 4.53 H new ATOM 0 HG22 ILE A 98 -0.638 -5.775 -9.648 1.00 4.53 H new ATOM 0 HG23 ILE A 98 -0.297 -4.094 -9.175 1.00 4.53 H new ATOM 0 HD11 ILE A 98 -0.825 -3.791 -5.047 1.00 23.14 H new ATOM 0 HD12 ILE A 98 -0.910 -5.497 -5.547 1.00 23.14 H new ATOM 0 HD13 ILE A 98 0.206 -4.384 -6.371 1.00 23.14 H new ATOM 1650 N LEU A 99 -4.794 -3.487 -7.948 1.00 52.23 N ATOM 1651 CA LEU A 99 -6.120 -3.407 -7.411 1.00 55.13 C ATOM 1652 C LEU A 99 -7.163 -3.484 -8.515 1.00 54.41 C ATOM 1653 O LEU A 99 -8.203 -4.130 -8.364 1.00 2.30 O ATOM 1654 CB LEU A 99 -6.295 -2.166 -6.460 1.00 4.33 C ATOM 1655 CG LEU A 99 -7.745 -1.732 -6.101 1.00 72.51 C ATOM 1656 CD1 LEU A 99 -7.770 -0.989 -4.803 1.00 43.52 C ATOM 1657 CD2 LEU A 99 -8.294 -0.818 -7.171 1.00 72.30 C ATOM 0 H LEU A 99 -4.240 -2.638 -7.834 1.00 52.23 H new ATOM 0 HA LEU A 99 -6.284 -4.278 -6.777 1.00 55.13 H new ATOM 0 HB2 LEU A 99 -5.768 -2.379 -5.530 1.00 4.33 H new ATOM 0 HB3 LEU A 99 -5.795 -1.315 -6.922 1.00 4.33 H new ATOM 0 HG LEU A 99 -8.351 -2.635 -6.023 1.00 72.51 H new ATOM 0 HD11 LEU A 99 -8.794 -0.695 -4.572 1.00 43.52 H new ATOM 0 HD12 LEU A 99 -7.388 -1.631 -4.009 1.00 43.52 H new ATOM 0 HD13 LEU A 99 -7.146 -0.099 -4.881 1.00 43.52 H new ATOM 0 HD21 LEU A 99 -9.309 -0.520 -6.909 1.00 72.30 H new ATOM 0 HD22 LEU A 99 -7.665 0.069 -7.250 1.00 72.30 H new ATOM 0 HD23 LEU A 99 -8.304 -1.342 -8.127 1.00 72.30 H new ATOM 1669 N TYR A 100 -6.861 -2.882 -9.634 1.00 54.50 N ATOM 1670 CA TYR A 100 -7.793 -2.843 -10.732 1.00 14.12 C ATOM 1671 C TYR A 100 -7.779 -4.194 -11.504 1.00 1.43 C ATOM 1672 O TYR A 100 -8.745 -4.544 -12.202 1.00 10.13 O ATOM 1673 CB TYR A 100 -7.438 -1.656 -11.660 1.00 13.45 C ATOM 1674 CG TYR A 100 -8.500 -1.331 -12.679 1.00 25.31 C ATOM 1675 CD1 TYR A 100 -9.588 -0.553 -12.321 1.00 2.32 C ATOM 1676 CD2 TYR A 100 -8.425 -1.794 -13.988 1.00 54.34 C ATOM 1677 CE1 TYR A 100 -10.571 -0.242 -13.225 1.00 44.54 C ATOM 1678 CE2 TYR A 100 -9.412 -1.487 -14.904 1.00 73.22 C ATOM 1679 CZ TYR A 100 -10.483 -0.708 -14.514 1.00 4.41 C ATOM 1680 OH TYR A 100 -11.473 -0.398 -15.416 1.00 23.40 O ATOM 0 H TYR A 100 -5.974 -2.410 -9.811 1.00 54.50 H new ATOM 0 HA TYR A 100 -8.804 -2.696 -10.351 1.00 14.12 H new ATOM 0 HB2 TYR A 100 -7.255 -0.773 -11.048 1.00 13.45 H new ATOM 0 HB3 TYR A 100 -6.507 -1.882 -12.181 1.00 13.45 H new ATOM 0 HD1 TYR A 100 -9.664 -0.184 -11.309 1.00 2.32 H new ATOM 0 HD2 TYR A 100 -7.585 -2.401 -14.292 1.00 54.34 H new ATOM 0 HE1 TYR A 100 -11.411 0.367 -12.925 1.00 44.54 H new ATOM 0 HE2 TYR A 100 -9.346 -1.854 -15.918 1.00 73.22 H new ATOM 0 HH TYR A 100 -11.263 -0.802 -16.284 1.00 23.40 H new ATOM 1690 N LEU A 101 -6.694 -4.951 -11.336 1.00 15.12 N ATOM 1691 CA LEU A 101 -6.500 -6.224 -12.045 1.00 31.40 C ATOM 1692 C LEU A 101 -7.256 -7.409 -11.466 1.00 21.42 C ATOM 1693 O LEU A 101 -8.062 -8.028 -12.162 1.00 20.33 O ATOM 1694 CB LEU A 101 -5.021 -6.613 -12.073 1.00 63.44 C ATOM 1695 CG LEU A 101 -4.090 -5.802 -12.958 1.00 44.21 C ATOM 1696 CD1 LEU A 101 -2.673 -6.287 -12.765 1.00 3.05 C ATOM 1697 CD2 LEU A 101 -4.476 -5.973 -14.411 1.00 11.20 C ATOM 0 H LEU A 101 -5.928 -4.704 -10.710 1.00 15.12 H new ATOM 0 HA LEU A 101 -6.898 -6.026 -13.040 1.00 31.40 H new ATOM 0 HB2 LEU A 101 -4.642 -6.561 -11.052 1.00 63.44 H new ATOM 0 HB3 LEU A 101 -4.955 -7.655 -12.385 1.00 63.44 H new ATOM 0 HG LEU A 101 -4.167 -4.749 -12.686 1.00 44.21 H new ATOM 0 HD11 LEU A 101 -2.001 -5.708 -13.398 1.00 3.05 H new ATOM 0 HD12 LEU A 101 -2.385 -6.163 -11.721 1.00 3.05 H new ATOM 0 HD13 LEU A 101 -2.609 -7.341 -13.036 1.00 3.05 H new ATOM 0 HD21 LEU A 101 -3.803 -5.388 -15.038 1.00 11.20 H new ATOM 0 HD22 LEU A 101 -4.404 -7.025 -14.685 1.00 11.20 H new ATOM 0 HD23 LEU A 101 -5.500 -5.629 -14.558 1.00 11.20 H new ATOM 1709 N ASN A 102 -7.018 -7.727 -10.206 1.00 44.32 N ATOM 1710 CA ASN A 102 -7.506 -9.016 -9.696 1.00 73.04 C ATOM 1711 C ASN A 102 -7.823 -8.969 -8.213 1.00 71.34 C ATOM 1712 O ASN A 102 -8.827 -9.521 -7.774 1.00 31.51 O ATOM 1713 CB ASN A 102 -6.390 -10.078 -9.957 1.00 32.14 C ATOM 1714 CG ASN A 102 -6.730 -11.571 -9.670 1.00 13.21 C ATOM 1715 OD1 ASN A 102 -6.158 -12.464 -10.316 1.00 45.51 O ATOM 1716 ND2 ASN A 102 -7.617 -11.863 -8.744 1.00 31.24 N ATOM 0 H ASN A 102 -6.514 -7.147 -9.535 1.00 44.32 H new ATOM 0 HA ASN A 102 -8.434 -9.269 -10.209 1.00 73.04 H new ATOM 0 HB2 ASN A 102 -6.088 -9.998 -11.001 1.00 32.14 H new ATOM 0 HB3 ASN A 102 -5.523 -9.809 -9.353 1.00 32.14 H new ATOM 0 HD21 ASN A 102 -7.846 -12.837 -8.546 1.00 31.24 H new ATOM 0 HD22 ASN A 102 -8.076 -11.115 -8.224 1.00 31.24 H new ATOM 1723 N GLN A 103 -6.971 -8.350 -7.442 1.00 24.21 N ATOM 1724 CA GLN A 103 -7.121 -8.405 -5.985 1.00 22.21 C ATOM 1725 C GLN A 103 -7.956 -7.310 -5.368 1.00 41.50 C ATOM 1726 O GLN A 103 -8.541 -7.525 -4.312 1.00 35.41 O ATOM 1727 CB GLN A 103 -5.760 -8.409 -5.321 1.00 41.33 C ATOM 1728 CG GLN A 103 -4.802 -7.389 -5.907 1.00 12.41 C ATOM 1729 CD GLN A 103 -3.529 -7.254 -5.121 1.00 12.41 C ATOM 1730 OE1 GLN A 103 -3.505 -7.372 -3.945 1.00 24.24 O ATOM 1731 NE2 GLN A 103 -2.459 -7.113 -5.789 1.00 32.44 N ATOM 0 H GLN A 103 -6.174 -7.807 -7.775 1.00 24.21 H new ATOM 0 HA GLN A 103 -7.666 -9.332 -5.806 1.00 22.21 H new ATOM 0 HB2 GLN A 103 -5.883 -8.212 -4.256 1.00 41.33 H new ATOM 0 HB3 GLN A 103 -5.322 -9.403 -5.413 1.00 41.33 H new ATOM 0 HG2 GLN A 103 -4.561 -7.673 -6.931 1.00 12.41 H new ATOM 0 HG3 GLN A 103 -5.297 -6.419 -5.953 1.00 12.41 H new ATOM 0 HE21 GLN A 103 -2.500 -7.013 -6.803 1.00 32.44 H new ATOM 0 HE22 GLN A 103 -1.558 -7.100 -5.312 1.00 32.44 H new ATOM 1740 N GLU A 104 -8.042 -6.179 -6.037 1.00 22.52 N ATOM 1741 CA GLU A 104 -8.529 -4.937 -5.424 1.00 41.23 C ATOM 1742 C GLU A 104 -7.914 -4.684 -4.044 1.00 64.31 C ATOM 1743 O GLU A 104 -6.819 -4.145 -3.942 1.00 55.24 O ATOM 1744 CB GLU A 104 -10.063 -4.545 -5.553 1.00 31.22 C ATOM 1745 CG GLU A 104 -11.155 -5.462 -4.960 1.00 13.10 C ATOM 1746 CD GLU A 104 -11.397 -6.732 -5.723 1.00 51.53 C ATOM 1747 OE1 GLU A 104 -11.715 -6.660 -6.936 1.00 72.51 O ATOM 1748 OE2 GLU A 104 -11.314 -7.815 -5.132 1.00 53.13 O ATOM 0 H GLU A 104 -7.780 -6.083 -7.018 1.00 22.52 H new ATOM 0 HA GLU A 104 -8.130 -4.193 -6.113 1.00 41.23 H new ATOM 0 HB2 GLU A 104 -10.184 -3.563 -5.097 1.00 31.22 H new ATOM 0 HB3 GLU A 104 -10.279 -4.432 -6.615 1.00 31.22 H new ATOM 0 HG2 GLU A 104 -10.879 -5.717 -3.937 1.00 13.10 H new ATOM 0 HG3 GLU A 104 -12.089 -4.903 -4.908 1.00 13.10 H new ATOM 1755 N VAL A 105 -8.578 -5.106 -3.021 1.00 42.34 N ATOM 1756 CA VAL A 105 -8.041 -5.049 -1.712 1.00 15.41 C ATOM 1757 C VAL A 105 -8.071 -6.470 -1.099 1.00 23.12 C ATOM 1758 O VAL A 105 -9.131 -6.982 -0.708 1.00 5.21 O ATOM 1759 CB VAL A 105 -8.747 -3.998 -0.800 1.00 72.34 C ATOM 1760 CG1 VAL A 105 -10.259 -4.200 -0.777 1.00 72.21 C ATOM 1761 CG2 VAL A 105 -8.175 -4.067 0.609 1.00 70.25 C ATOM 0 H VAL A 105 -9.516 -5.503 -3.075 1.00 42.34 H new ATOM 0 HA VAL A 105 -7.009 -4.704 -1.780 1.00 15.41 H new ATOM 0 HB VAL A 105 -8.558 -3.008 -1.214 1.00 72.34 H new ATOM 0 HG11 VAL A 105 -10.716 -3.450 -0.132 1.00 72.21 H new ATOM 0 HG12 VAL A 105 -10.655 -4.099 -1.788 1.00 72.21 H new ATOM 0 HG13 VAL A 105 -10.487 -5.195 -0.395 1.00 72.21 H new ATOM 0 HG21 VAL A 105 -8.672 -3.331 1.240 1.00 70.25 H new ATOM 0 HG22 VAL A 105 -8.336 -5.064 1.019 1.00 70.25 H new ATOM 0 HG23 VAL A 105 -7.106 -3.856 0.578 1.00 70.25 H new ATOM 1771 N PRO A 106 -6.929 -7.145 -1.077 1.00 60.12 N ATOM 1772 CA PRO A 106 -6.829 -8.508 -0.600 1.00 42.12 C ATOM 1773 C PRO A 106 -6.637 -8.615 0.907 1.00 22.31 C ATOM 1774 O PRO A 106 -6.129 -7.696 1.568 1.00 33.33 O ATOM 1775 CB PRO A 106 -5.597 -9.018 -1.312 1.00 72.55 C ATOM 1776 CG PRO A 106 -4.710 -7.838 -1.323 1.00 14.24 C ATOM 1777 CD PRO A 106 -5.615 -6.644 -1.538 1.00 33.11 C ATOM 0 HA PRO A 106 -7.743 -9.068 -0.798 1.00 42.12 H new ATOM 0 HB2 PRO A 106 -5.145 -9.858 -0.785 1.00 72.55 H new ATOM 0 HB3 PRO A 106 -5.826 -9.360 -2.321 1.00 72.55 H new ATOM 0 HG2 PRO A 106 -4.164 -7.751 -0.384 1.00 14.24 H new ATOM 0 HG3 PRO A 106 -3.968 -7.914 -2.118 1.00 14.24 H new ATOM 0 HD2 PRO A 106 -5.287 -5.778 -0.962 1.00 33.11 H new ATOM 0 HD3 PRO A 106 -5.642 -6.339 -2.584 1.00 33.11 H new ATOM 1785 N LYS A 107 -7.043 -9.748 1.431 1.00 52.43 N ATOM 1786 CA LYS A 107 -6.894 -10.088 2.832 1.00 52.23 C ATOM 1787 C LYS A 107 -5.419 -10.100 3.221 1.00 31.13 C ATOM 1788 O LYS A 107 -5.063 -9.818 4.358 1.00 43.14 O ATOM 1789 CB LYS A 107 -7.427 -11.491 3.043 1.00 43.40 C ATOM 1790 CG LYS A 107 -7.292 -12.014 4.458 1.00 31.50 C ATOM 1791 CD LYS A 107 -7.565 -13.498 4.470 1.00 64.35 C ATOM 1792 CE LYS A 107 -7.516 -14.098 5.875 1.00 63.45 C ATOM 1793 NZ LYS A 107 -6.175 -13.981 6.503 1.00 40.12 N ATOM 0 H LYS A 107 -7.498 -10.479 0.884 1.00 52.43 H new ATOM 0 HA LYS A 107 -7.432 -9.354 3.433 1.00 52.23 H new ATOM 0 HB2 LYS A 107 -8.480 -11.511 2.762 1.00 43.40 H new ATOM 0 HB3 LYS A 107 -6.904 -12.169 2.368 1.00 43.40 H new ATOM 0 HG2 LYS A 107 -6.290 -11.814 4.838 1.00 31.50 H new ATOM 0 HG3 LYS A 107 -7.991 -11.499 5.117 1.00 31.50 H new ATOM 0 HD2 LYS A 107 -8.546 -13.686 4.034 1.00 64.35 H new ATOM 0 HD3 LYS A 107 -6.834 -14.002 3.839 1.00 64.35 H new ATOM 0 HE2 LYS A 107 -8.252 -13.598 6.505 1.00 63.45 H new ATOM 0 HE3 LYS A 107 -7.799 -15.149 5.826 1.00 63.45 H new ATOM 0 HZ1 LYS A 107 -6.144 -14.561 7.366 1.00 40.12 H new ATOM 0 HZ2 LYS A 107 -5.449 -14.313 5.836 1.00 40.12 H new ATOM 0 HZ3 LYS A 107 -5.992 -12.987 6.747 1.00 40.12 H new ATOM 1807 N GLU A 108 -4.579 -10.436 2.267 1.00 74.44 N ATOM 1808 CA GLU A 108 -3.161 -10.604 2.518 1.00 50.23 C ATOM 1809 C GLU A 108 -2.410 -9.417 3.124 1.00 51.34 C ATOM 1810 O GLU A 108 -1.468 -9.634 3.838 1.00 55.15 O ATOM 1811 CB GLU A 108 -2.403 -11.356 1.431 1.00 62.12 C ATOM 1812 CG GLU A 108 -2.880 -12.799 1.322 1.00 51.14 C ATOM 1813 CD GLU A 108 -2.010 -13.671 0.458 1.00 51.23 C ATOM 1814 OE1 GLU A 108 -1.001 -14.211 0.984 1.00 12.04 O ATOM 1815 OE2 GLU A 108 -2.333 -13.880 -0.709 1.00 73.40 O ATOM 0 H GLU A 108 -4.856 -10.600 1.299 1.00 74.44 H new ATOM 0 HA GLU A 108 -3.179 -11.291 3.364 1.00 50.23 H new ATOM 0 HB2 GLU A 108 -2.540 -10.852 0.474 1.00 62.12 H new ATOM 0 HB3 GLU A 108 -1.335 -11.339 1.651 1.00 62.12 H new ATOM 0 HG2 GLU A 108 -2.929 -13.230 2.322 1.00 51.14 H new ATOM 0 HG3 GLU A 108 -3.894 -12.806 0.922 1.00 51.14 H new ATOM 1822 N LEU A 109 -2.816 -8.167 2.865 1.00 52.13 N ATOM 1823 CA LEU A 109 -2.195 -7.048 3.610 1.00 1.12 C ATOM 1824 C LEU A 109 -2.519 -7.159 5.086 1.00 2.44 C ATOM 1825 O LEU A 109 -1.661 -6.930 5.951 1.00 60.04 O ATOM 1826 CB LEU A 109 -2.593 -5.644 3.098 1.00 74.02 C ATOM 1827 CG LEU A 109 -2.005 -5.178 1.761 1.00 2.43 C ATOM 1828 CD1 LEU A 109 -0.495 -5.186 1.823 1.00 3.41 C ATOM 1829 CD2 LEU A 109 -2.505 -6.005 0.597 1.00 13.32 C ATOM 0 H LEU A 109 -3.531 -7.906 2.186 1.00 52.13 H new ATOM 0 HA LEU A 109 -1.122 -7.143 3.441 1.00 1.12 H new ATOM 0 HB2 LEU A 109 -3.679 -5.613 3.015 1.00 74.02 H new ATOM 0 HB3 LEU A 109 -2.311 -4.917 3.860 1.00 74.02 H new ATOM 0 HG LEU A 109 -2.345 -4.157 1.590 1.00 2.43 H new ATOM 0 HD11 LEU A 109 -0.090 -4.853 0.867 1.00 3.41 H new ATOM 0 HD12 LEU A 109 -0.160 -4.514 2.613 1.00 3.41 H new ATOM 0 HD13 LEU A 109 -0.145 -6.197 2.033 1.00 3.41 H new ATOM 0 HD21 LEU A 109 -2.061 -5.637 -0.328 1.00 13.32 H new ATOM 0 HD22 LEU A 109 -2.224 -7.048 0.745 1.00 13.32 H new ATOM 0 HD23 LEU A 109 -3.590 -5.927 0.535 1.00 13.32 H new ATOM 1841 N LEU A 110 -3.741 -7.562 5.366 1.00 20.21 N ATOM 1842 CA LEU A 110 -4.222 -7.706 6.723 1.00 23.24 C ATOM 1843 C LEU A 110 -3.552 -8.875 7.381 1.00 62.20 C ATOM 1844 O LEU A 110 -3.250 -8.843 8.541 1.00 4.40 O ATOM 1845 CB LEU A 110 -5.760 -7.873 6.805 1.00 54.35 C ATOM 1846 CG LEU A 110 -6.658 -6.722 6.295 1.00 31.04 C ATOM 1847 CD1 LEU A 110 -6.539 -6.525 4.802 1.00 25.25 C ATOM 1848 CD2 LEU A 110 -8.102 -6.971 6.681 1.00 61.10 C ATOM 0 H LEU A 110 -4.432 -7.800 4.654 1.00 20.21 H new ATOM 0 HA LEU A 110 -3.972 -6.783 7.246 1.00 23.24 H new ATOM 0 HB2 LEU A 110 -6.025 -8.772 6.248 1.00 54.35 H new ATOM 0 HB3 LEU A 110 -6.018 -8.057 7.848 1.00 54.35 H new ATOM 0 HG LEU A 110 -6.312 -5.805 6.771 1.00 31.04 H new ATOM 0 HD11 LEU A 110 -7.188 -5.706 4.490 1.00 25.25 H new ATOM 0 HD12 LEU A 110 -5.506 -6.287 4.548 1.00 25.25 H new ATOM 0 HD13 LEU A 110 -6.837 -7.440 4.289 1.00 25.25 H new ATOM 0 HD21 LEU A 110 -8.723 -6.153 6.316 1.00 61.10 H new ATOM 0 HD22 LEU A 110 -8.440 -7.908 6.239 1.00 61.10 H new ATOM 0 HD23 LEU A 110 -8.183 -7.031 7.766 1.00 61.10 H new ATOM 1860 N GLU A 111 -3.317 -9.886 6.619 1.00 24.11 N ATOM 1861 CA GLU A 111 -2.665 -11.074 7.096 1.00 2.03 C ATOM 1862 C GLU A 111 -1.148 -10.837 7.229 1.00 5.14 C ATOM 1863 O GLU A 111 -0.455 -11.532 7.960 1.00 11.11 O ATOM 1864 CB GLU A 111 -2.947 -12.194 6.112 1.00 64.35 C ATOM 1865 CG GLU A 111 -2.448 -13.555 6.523 1.00 33.42 C ATOM 1866 CD GLU A 111 -2.770 -14.577 5.487 1.00 33.40 C ATOM 1867 OE1 GLU A 111 -3.951 -14.983 5.400 1.00 75.41 O ATOM 1868 OE2 GLU A 111 -1.856 -14.984 4.733 1.00 65.50 O ATOM 0 H GLU A 111 -3.572 -9.920 5.632 1.00 24.11 H new ATOM 0 HA GLU A 111 -3.045 -11.341 8.082 1.00 2.03 H new ATOM 0 HB2 GLU A 111 -4.024 -12.253 5.953 1.00 64.35 H new ATOM 0 HB3 GLU A 111 -2.497 -11.935 5.154 1.00 64.35 H new ATOM 0 HG2 GLU A 111 -1.370 -13.519 6.681 1.00 33.42 H new ATOM 0 HG3 GLU A 111 -2.900 -13.840 7.473 1.00 33.42 H new ATOM 1875 N PHE A 112 -0.658 -9.827 6.546 1.00 1.32 N ATOM 1876 CA PHE A 112 0.757 -9.586 6.477 1.00 14.53 C ATOM 1877 C PHE A 112 1.199 -8.689 7.615 1.00 60.10 C ATOM 1878 O PHE A 112 2.181 -8.963 8.301 1.00 72.11 O ATOM 1879 CB PHE A 112 1.102 -8.934 5.132 1.00 51.34 C ATOM 1880 CG PHE A 112 2.553 -8.832 4.865 1.00 14.42 C ATOM 1881 CD1 PHE A 112 3.257 -7.737 5.278 1.00 13.42 C ATOM 1882 CD2 PHE A 112 3.218 -9.844 4.200 1.00 14.22 C ATOM 1883 CE1 PHE A 112 4.587 -7.636 5.043 1.00 4.32 C ATOM 1884 CE2 PHE A 112 4.564 -9.748 3.957 1.00 70.41 C ATOM 1885 CZ PHE A 112 5.252 -8.637 4.383 1.00 0.04 C ATOM 0 H PHE A 112 -1.227 -9.157 6.028 1.00 1.32 H new ATOM 0 HA PHE A 112 1.281 -10.538 6.564 1.00 14.53 H new ATOM 0 HB2 PHE A 112 0.636 -9.509 4.332 1.00 51.34 H new ATOM 0 HB3 PHE A 112 0.667 -7.935 5.102 1.00 51.34 H new ATOM 0 HD1 PHE A 112 2.746 -6.941 5.799 1.00 13.42 H new ATOM 0 HD2 PHE A 112 2.674 -10.716 3.869 1.00 14.22 H new ATOM 0 HE1 PHE A 112 5.127 -6.762 5.377 1.00 4.32 H new ATOM 0 HE2 PHE A 112 5.080 -10.540 3.434 1.00 70.41 H new ATOM 0 HZ PHE A 112 6.313 -8.553 4.198 1.00 0.04 H new ATOM 1895 N LEU A 113 0.470 -7.618 7.803 1.00 2.11 N ATOM 1896 CA LEU A 113 0.802 -6.617 8.805 1.00 54.23 C ATOM 1897 C LEU A 113 -0.017 -6.840 10.047 1.00 74.44 C ATOM 1898 O LEU A 113 0.153 -6.142 11.042 1.00 13.51 O ATOM 1899 CB LEU A 113 0.433 -5.268 8.258 1.00 3.02 C ATOM 1900 CG LEU A 113 1.073 -4.856 6.956 1.00 61.23 C ATOM 1901 CD1 LEU A 113 0.303 -3.686 6.383 1.00 2.11 C ATOM 1902 CD2 LEU A 113 2.530 -4.475 7.187 1.00 34.03 C ATOM 0 H LEU A 113 -0.373 -7.408 7.269 1.00 2.11 H new ATOM 0 HA LEU A 113 1.864 -6.682 9.042 1.00 54.23 H new ATOM 0 HB2 LEU A 113 -0.649 -5.241 8.127 1.00 3.02 H new ATOM 0 HB3 LEU A 113 0.682 -4.519 9.009 1.00 3.02 H new ATOM 0 HG LEU A 113 1.047 -5.687 6.251 1.00 61.23 H new ATOM 0 HD11 LEU A 113 0.756 -3.379 5.441 1.00 2.11 H new ATOM 0 HD12 LEU A 113 -0.732 -3.982 6.209 1.00 2.11 H new ATOM 0 HD13 LEU A 113 0.329 -2.854 7.087 1.00 2.11 H new ATOM 0 HD21 LEU A 113 2.983 -4.179 6.241 1.00 34.03 H new ATOM 0 HD22 LEU A 113 2.582 -3.643 7.890 1.00 34.03 H new ATOM 0 HD23 LEU A 113 3.069 -5.330 7.596 1.00 34.03 H new ATOM 1914 N ARG A 114 -0.912 -7.811 9.964 1.00 24.11 N ATOM 1915 CA ARG A 114 -1.884 -8.101 11.000 1.00 72.31 C ATOM 1916 C ARG A 114 -2.789 -6.891 11.189 1.00 44.34 C ATOM 1917 O ARG A 114 -2.819 -6.264 12.244 1.00 42.35 O ATOM 1918 CB ARG A 114 -1.229 -8.556 12.306 1.00 21.13 C ATOM 1919 CG ARG A 114 -0.323 -9.761 12.133 1.00 72.32 C ATOM 1920 CD ARG A 114 0.249 -10.222 13.449 1.00 74.12 C ATOM 1921 NE ARG A 114 -0.804 -10.676 14.356 1.00 22.33 N ATOM 1922 CZ ARG A 114 -0.606 -11.167 15.578 1.00 12.21 C ATOM 1923 NH1 ARG A 114 0.625 -11.258 16.078 1.00 52.11 N ATOM 1924 NH2 ARG A 114 -1.640 -11.559 16.301 1.00 53.40 N ATOM 0 H ARG A 114 -0.983 -8.431 9.157 1.00 24.11 H new ATOM 0 HA ARG A 114 -2.495 -8.946 10.681 1.00 72.31 H new ATOM 0 HB2 ARG A 114 -0.650 -7.731 12.721 1.00 21.13 H new ATOM 0 HB3 ARG A 114 -2.007 -8.796 13.031 1.00 21.13 H new ATOM 0 HG2 ARG A 114 -0.884 -10.575 11.675 1.00 72.32 H new ATOM 0 HG3 ARG A 114 0.489 -9.511 11.451 1.00 72.32 H new ATOM 0 HD2 ARG A 114 0.957 -11.032 13.276 1.00 74.12 H new ATOM 0 HD3 ARG A 114 0.804 -9.406 13.912 1.00 74.12 H new ATOM 0 HE ARG A 114 -1.767 -10.612 14.027 1.00 22.33 H new ATOM 0 HH11 ARG A 114 1.424 -10.950 15.524 1.00 52.11 H new ATOM 0 HH12 ARG A 114 0.768 -11.635 17.015 1.00 52.11 H new ATOM 0 HH21 ARG A 114 -2.584 -11.485 15.923 1.00 53.40 H new ATOM 0 HH22 ARG A 114 -1.494 -11.936 17.238 1.00 53.40 H new ATOM 1938 N LEU A 115 -3.476 -6.549 10.111 1.00 4.31 N ATOM 1939 CA LEU A 115 -4.340 -5.392 10.067 1.00 45.20 C ATOM 1940 C LEU A 115 -5.746 -5.804 10.424 1.00 20.23 C ATOM 1941 O LEU A 115 -6.364 -6.585 9.703 1.00 14.50 O ATOM 1942 CB LEU A 115 -4.392 -4.775 8.641 1.00 42.14 C ATOM 1943 CG LEU A 115 -3.111 -4.378 7.961 1.00 71.03 C ATOM 1944 CD1 LEU A 115 -3.423 -3.863 6.551 1.00 12.02 C ATOM 1945 CD2 LEU A 115 -2.364 -3.347 8.768 1.00 33.45 C ATOM 0 H LEU A 115 -3.446 -7.074 9.237 1.00 4.31 H new ATOM 0 HA LEU A 115 -3.942 -4.660 10.770 1.00 45.20 H new ATOM 0 HB2 LEU A 115 -4.898 -5.491 7.993 1.00 42.14 H new ATOM 0 HB3 LEU A 115 -5.024 -3.888 8.691 1.00 42.14 H new ATOM 0 HG LEU A 115 -2.464 -5.252 7.882 1.00 71.03 H new ATOM 0 HD11 LEU A 115 -2.496 -3.574 6.056 1.00 12.02 H new ATOM 0 HD12 LEU A 115 -3.912 -4.650 5.976 1.00 12.02 H new ATOM 0 HD13 LEU A 115 -4.083 -2.998 6.617 1.00 12.02 H new ATOM 0 HD21 LEU A 115 -1.442 -3.079 8.252 1.00 33.45 H new ATOM 0 HD22 LEU A 115 -2.984 -2.459 8.887 1.00 33.45 H new ATOM 0 HD23 LEU A 115 -2.125 -3.757 9.749 1.00 33.45 H new ATOM 1957 N ARG A 116 -6.246 -5.328 11.511 1.00 72.53 N ATOM 1958 CA ARG A 116 -7.619 -5.582 11.841 1.00 72.40 C ATOM 1959 C ARG A 116 -8.373 -4.277 11.973 1.00 4.43 C ATOM 1960 O ARG A 116 -7.973 -3.401 12.735 1.00 51.44 O ATOM 1961 CB ARG A 116 -7.775 -6.457 13.103 1.00 22.43 C ATOM 1962 CG ARG A 116 -7.116 -5.907 14.362 1.00 11.44 C ATOM 1963 CD ARG A 116 -7.439 -6.771 15.573 1.00 51.10 C ATOM 1964 NE ARG A 116 -8.882 -6.773 15.862 1.00 62.31 N ATOM 1965 CZ ARG A 116 -9.473 -7.368 16.905 1.00 43.23 C ATOM 1966 NH1 ARG A 116 -8.753 -8.050 17.792 1.00 14.34 N ATOM 1967 NH2 ARG A 116 -10.792 -7.260 17.067 1.00 40.52 N ATOM 0 H ARG A 116 -5.734 -4.763 12.188 1.00 72.53 H new ATOM 0 HA ARG A 116 -8.053 -6.156 11.022 1.00 72.40 H new ATOM 0 HB2 ARG A 116 -8.838 -6.595 13.300 1.00 22.43 H new ATOM 0 HB3 ARG A 116 -7.358 -7.443 12.896 1.00 22.43 H new ATOM 0 HG2 ARG A 116 -6.036 -5.863 14.221 1.00 11.44 H new ATOM 0 HG3 ARG A 116 -7.457 -4.887 14.538 1.00 11.44 H new ATOM 0 HD2 ARG A 116 -7.101 -7.792 15.394 1.00 51.10 H new ATOM 0 HD3 ARG A 116 -6.893 -6.402 16.441 1.00 51.10 H new ATOM 0 HE ARG A 116 -9.487 -6.276 15.208 1.00 62.31 H new ATOM 0 HH11 ARG A 116 -7.742 -8.123 17.680 1.00 14.34 H new ATOM 0 HH12 ARG A 116 -9.212 -8.500 18.584 1.00 14.34 H new ATOM 0 HH21 ARG A 116 -11.346 -6.726 16.398 1.00 40.52 H new ATOM 0 HH22 ARG A 116 -11.247 -7.712 17.860 1.00 40.52 H new ATOM 1981 N HIS A 117 -9.442 -4.149 11.202 1.00 50.13 N ATOM 1982 CA HIS A 117 -10.321 -2.978 11.230 1.00 34.33 C ATOM 1983 C HIS A 117 -9.626 -1.673 10.797 1.00 44.51 C ATOM 1984 O HIS A 117 -9.025 -0.962 11.616 1.00 12.23 O ATOM 1985 CB HIS A 117 -10.994 -2.812 12.614 1.00 51.13 C ATOM 1986 CG HIS A 117 -11.915 -1.629 12.729 1.00 54.41 C ATOM 1987 ND1 HIS A 117 -11.568 -0.468 13.380 1.00 52.14 N ATOM 1988 CD2 HIS A 117 -13.176 -1.444 12.296 1.00 53.51 C ATOM 1989 CE1 HIS A 117 -12.570 0.374 13.338 1.00 41.32 C ATOM 1990 NE2 HIS A 117 -13.556 -0.194 12.687 1.00 74.11 N ATOM 0 H HIS A 117 -9.731 -4.860 10.530 1.00 50.13 H new ATOM 0 HA HIS A 117 -11.093 -3.172 10.486 1.00 34.33 H new ATOM 0 HB2 HIS A 117 -11.558 -3.717 12.839 1.00 51.13 H new ATOM 0 HB3 HIS A 117 -10.216 -2.724 13.373 1.00 51.13 H new ATOM 0 HD2 HIS A 117 -13.775 -2.153 11.743 1.00 53.51 H new ATOM 0 HE1 HIS A 117 -12.582 1.366 13.766 1.00 41.32 H new ATOM 0 HE2 HIS A 117 -14.464 0.232 12.502 1.00 74.11 H new ATOM 1999 N PHE A 118 -9.677 -1.389 9.526 1.00 52.53 N ATOM 2000 CA PHE A 118 -9.201 -0.121 9.013 1.00 23.22 C ATOM 2001 C PHE A 118 -10.304 0.599 8.267 1.00 61.45 C ATOM 2002 O PHE A 118 -10.670 0.217 7.152 1.00 1.30 O ATOM 2003 CB PHE A 118 -7.917 -0.260 8.179 1.00 71.30 C ATOM 2004 CG PHE A 118 -6.690 -0.469 9.024 1.00 11.15 C ATOM 2005 CD1 PHE A 118 -6.377 -1.711 9.537 1.00 42.01 C ATOM 2006 CD2 PHE A 118 -5.855 0.601 9.317 1.00 12.25 C ATOM 2007 CE1 PHE A 118 -5.259 -1.882 10.326 1.00 52.44 C ATOM 2008 CE2 PHE A 118 -4.733 0.431 10.103 1.00 32.41 C ATOM 2009 CZ PHE A 118 -4.436 -0.811 10.609 1.00 43.42 C ATOM 0 H PHE A 118 -10.046 -2.020 8.815 1.00 52.53 H new ATOM 0 HA PHE A 118 -8.922 0.495 9.868 1.00 23.22 H new ATOM 0 HB2 PHE A 118 -8.026 -1.099 7.491 1.00 71.30 H new ATOM 0 HB3 PHE A 118 -7.786 0.635 7.572 1.00 71.30 H new ATOM 0 HD1 PHE A 118 -7.013 -2.556 9.319 1.00 42.01 H new ATOM 0 HD2 PHE A 118 -6.087 1.580 8.924 1.00 12.25 H new ATOM 0 HE1 PHE A 118 -5.026 -2.859 10.724 1.00 52.44 H new ATOM 0 HE2 PHE A 118 -4.091 1.272 10.319 1.00 32.41 H new ATOM 0 HZ PHE A 118 -3.561 -0.949 11.227 1.00 43.42 H new ATOM 2019 N PRO A 119 -10.882 1.633 8.904 1.00 75.53 N ATOM 2020 CA PRO A 119 -11.985 2.401 8.336 1.00 52.41 C ATOM 2021 C PRO A 119 -11.518 3.359 7.248 1.00 65.05 C ATOM 2022 O PRO A 119 -10.347 3.372 6.870 1.00 15.12 O ATOM 2023 CB PRO A 119 -12.512 3.193 9.535 1.00 35.34 C ATOM 2024 CG PRO A 119 -11.324 3.377 10.405 1.00 30.14 C ATOM 2025 CD PRO A 119 -10.496 2.135 10.242 1.00 44.25 C ATOM 0 HA PRO A 119 -12.728 1.760 7.862 1.00 52.41 H new ATOM 0 HB2 PRO A 119 -12.931 4.151 9.226 1.00 35.34 H new ATOM 0 HB3 PRO A 119 -13.304 2.651 10.052 1.00 35.34 H new ATOM 0 HG2 PRO A 119 -10.760 4.263 10.113 1.00 30.14 H new ATOM 0 HG3 PRO A 119 -11.620 3.515 11.445 1.00 30.14 H new ATOM 0 HD2 PRO A 119 -9.430 2.354 10.296 1.00 44.25 H new ATOM 0 HD3 PRO A 119 -10.711 1.404 11.022 1.00 44.25 H new ATOM 2033 N THR A 120 -12.426 4.166 6.773 1.00 4.31 N ATOM 2034 CA THR A 120 -12.132 5.099 5.739 1.00 13.34 C ATOM 2035 C THR A 120 -11.302 6.286 6.273 1.00 52.41 C ATOM 2036 O THR A 120 -11.758 7.066 7.115 1.00 14.34 O ATOM 2037 CB THR A 120 -13.441 5.565 5.003 1.00 41.25 C ATOM 2038 OG1 THR A 120 -13.144 6.495 3.952 1.00 61.10 O ATOM 2039 CG2 THR A 120 -14.458 6.171 5.967 1.00 4.30 C ATOM 0 H THR A 120 -13.392 4.189 7.098 1.00 4.31 H new ATOM 0 HA THR A 120 -11.515 4.595 4.995 1.00 13.34 H new ATOM 0 HB THR A 120 -13.886 4.672 4.565 1.00 41.25 H new ATOM 0 HG1 THR A 120 -13.976 6.766 3.511 1.00 61.10 H new ATOM 0 HG21 THR A 120 -15.345 6.478 5.414 1.00 4.30 H new ATOM 0 HG22 THR A 120 -14.736 5.430 6.716 1.00 4.30 H new ATOM 0 HG23 THR A 120 -14.020 7.038 6.460 1.00 4.30 H new ATOM 2047 N ASP A 121 -10.066 6.363 5.826 1.00 41.33 N ATOM 2048 CA ASP A 121 -9.177 7.475 6.158 1.00 43.12 C ATOM 2049 C ASP A 121 -9.633 8.753 5.481 1.00 11.42 C ATOM 2050 O ASP A 121 -10.311 8.704 4.447 1.00 31.32 O ATOM 2051 CB ASP A 121 -7.729 7.172 5.757 1.00 14.41 C ATOM 2052 CG ASP A 121 -7.066 6.138 6.623 1.00 41.13 C ATOM 2053 OD1 ASP A 121 -7.189 4.951 6.347 1.00 71.40 O ATOM 2054 OD2 ASP A 121 -6.383 6.514 7.598 1.00 13.42 O ATOM 0 H ASP A 121 -9.642 5.660 5.221 1.00 41.33 H new ATOM 0 HA ASP A 121 -9.218 7.609 7.239 1.00 43.12 H new ATOM 0 HB2 ASP A 121 -7.712 6.831 4.722 1.00 14.41 H new ATOM 0 HB3 ASP A 121 -7.149 8.094 5.799 1.00 14.41 H new ATOM 2059 N PRO A 122 -9.311 9.918 6.063 1.00 33.35 N ATOM 2060 CA PRO A 122 -9.669 11.206 5.480 1.00 52.45 C ATOM 2061 C PRO A 122 -8.917 11.468 4.178 1.00 61.25 C ATOM 2062 O PRO A 122 -7.778 10.997 3.981 1.00 33.51 O ATOM 2063 CB PRO A 122 -9.251 12.221 6.550 1.00 44.13 C ATOM 2064 CG PRO A 122 -8.199 11.528 7.335 1.00 54.53 C ATOM 2065 CD PRO A 122 -8.583 10.080 7.341 1.00 44.20 C ATOM 0 HA PRO A 122 -10.727 11.258 5.224 1.00 52.45 H new ATOM 0 HB2 PRO A 122 -8.870 13.137 6.099 1.00 44.13 H new ATOM 0 HB3 PRO A 122 -10.095 12.503 7.180 1.00 44.13 H new ATOM 0 HG2 PRO A 122 -7.217 11.670 6.884 1.00 54.53 H new ATOM 0 HG3 PRO A 122 -8.144 11.922 8.350 1.00 54.53 H new ATOM 0 HD2 PRO A 122 -7.708 9.432 7.391 1.00 44.20 H new ATOM 0 HD3 PRO A 122 -9.212 9.834 8.197 1.00 44.20 H new ATOM 2073 N LYS A 123 -9.540 12.197 3.304 1.00 63.43 N ATOM 2074 CA LYS A 123 -8.951 12.536 2.048 1.00 12.13 C ATOM 2075 C LYS A 123 -8.135 13.804 2.225 1.00 11.15 C ATOM 2076 O LYS A 123 -8.684 14.899 2.285 1.00 4.10 O ATOM 2077 CB LYS A 123 -10.041 12.722 0.979 1.00 43.35 C ATOM 2078 CG LYS A 123 -9.525 13.029 -0.425 1.00 54.21 C ATOM 2079 CD LYS A 123 -8.640 11.912 -0.946 1.00 50.13 C ATOM 2080 CE LYS A 123 -8.196 12.162 -2.380 1.00 21.40 C ATOM 2081 NZ LYS A 123 -7.392 13.392 -2.529 1.00 11.25 N ATOM 0 H LYS A 123 -10.477 12.575 3.444 1.00 63.43 H new ATOM 0 HA LYS A 123 -8.298 11.731 1.711 1.00 12.13 H new ATOM 0 HB2 LYS A 123 -10.646 11.816 0.937 1.00 43.35 H new ATOM 0 HB3 LYS A 123 -10.701 13.531 1.292 1.00 43.35 H new ATOM 0 HG2 LYS A 123 -10.368 13.173 -1.101 1.00 54.21 H new ATOM 0 HG3 LYS A 123 -8.964 13.964 -0.412 1.00 54.21 H new ATOM 0 HD2 LYS A 123 -7.763 11.815 -0.306 1.00 50.13 H new ATOM 0 HD3 LYS A 123 -9.180 10.966 -0.893 1.00 50.13 H new ATOM 0 HE2 LYS A 123 -7.613 11.309 -2.728 1.00 21.40 H new ATOM 0 HE3 LYS A 123 -9.076 12.230 -3.020 1.00 21.40 H new ATOM 0 HZ1 LYS A 123 -7.020 13.448 -3.498 1.00 11.25 H new ATOM 0 HZ2 LYS A 123 -7.989 14.222 -2.339 1.00 11.25 H new ATOM 0 HZ3 LYS A 123 -6.600 13.373 -1.855 1.00 11.25 H new ATOM 2095 N ALA A 124 -6.843 13.648 2.357 1.00 40.43 N ATOM 2096 CA ALA A 124 -5.963 14.757 2.580 1.00 63.14 C ATOM 2097 C ALA A 124 -4.725 14.624 1.728 1.00 13.53 C ATOM 2098 O ALA A 124 -3.819 13.845 2.035 1.00 21.22 O ATOM 2099 CB ALA A 124 -5.597 14.876 4.057 1.00 65.33 C ATOM 0 H ALA A 124 -6.374 12.743 2.312 1.00 40.43 H new ATOM 0 HA ALA A 124 -6.483 15.671 2.292 1.00 63.14 H new ATOM 0 HB1 ALA A 124 -4.929 15.725 4.199 1.00 65.33 H new ATOM 0 HB2 ALA A 124 -6.502 15.025 4.645 1.00 65.33 H new ATOM 0 HB3 ALA A 124 -5.098 13.963 4.383 1.00 65.33 H new ATOM 2105 N SER A 125 -4.736 15.305 0.619 1.00 12.23 N ATOM 2106 CA SER A 125 -3.608 15.362 -0.290 1.00 5.03 C ATOM 2107 C SER A 125 -3.693 16.660 -1.082 1.00 51.24 C ATOM 2108 O SER A 125 -2.945 16.878 -2.039 1.00 12.14 O ATOM 2109 CB SER A 125 -3.660 14.168 -1.262 1.00 73.45 C ATOM 2110 OG SER A 125 -3.694 12.933 -0.558 1.00 0.23 O ATOM 0 H SER A 125 -5.540 15.849 0.307 1.00 12.23 H new ATOM 0 HA SER A 125 -2.676 15.321 0.273 1.00 5.03 H new ATOM 0 HB2 SER A 125 -4.541 14.251 -1.898 1.00 73.45 H new ATOM 0 HB3 SER A 125 -2.790 14.192 -1.918 1.00 73.45 H new ATOM 0 HG SER A 125 -4.603 12.768 -0.231 1.00 0.23 H new ATOM 2116 N ASN A 126 -4.578 17.540 -0.644 1.00 12.22 N ATOM 2117 CA ASN A 126 -4.888 18.733 -1.388 1.00 60.21 C ATOM 2118 C ASN A 126 -4.051 19.918 -0.976 1.00 32.34 C ATOM 2119 O ASN A 126 -4.275 20.541 0.070 1.00 34.42 O ATOM 2120 CB ASN A 126 -6.400 19.063 -1.327 1.00 1.04 C ATOM 2121 CG ASN A 126 -6.768 20.362 -2.044 1.00 63.10 C ATOM 2122 OD1 ASN A 126 -7.042 20.376 -3.250 1.00 31.24 O ATOM 2123 ND2 ASN A 126 -6.810 21.449 -1.307 1.00 74.42 N ATOM 0 H ASN A 126 -5.094 17.442 0.231 1.00 12.22 H new ATOM 0 HA ASN A 126 -4.630 18.520 -2.425 1.00 60.21 H new ATOM 0 HB2 ASN A 126 -6.962 18.241 -1.770 1.00 1.04 H new ATOM 0 HB3 ASN A 126 -6.707 19.133 -0.284 1.00 1.04 H new ATOM 0 HD21 ASN A 126 -7.075 22.340 -1.727 1.00 74.42 H new ATOM 0 HD22 ASN A 126 -6.578 21.402 -0.315 1.00 74.42 H new ATOM 2130 N TRP A 127 -3.063 20.189 -1.774 1.00 2.04 N ATOM 2131 CA TRP A 127 -2.274 21.379 -1.636 1.00 42.42 C ATOM 2132 C TRP A 127 -2.771 22.364 -2.687 1.00 63.43 C ATOM 2133 O TRP A 127 -2.705 23.589 -2.526 1.00 0.13 O ATOM 2134 CB TRP A 127 -0.789 21.063 -1.839 1.00 62.52 C ATOM 2135 CG TRP A 127 0.104 22.254 -1.707 1.00 11.35 C ATOM 2136 CD1 TRP A 127 0.451 22.887 -0.553 1.00 44.21 C ATOM 2137 CD2 TRP A 127 0.772 22.953 -2.766 1.00 63.22 C ATOM 2138 NE1 TRP A 127 1.291 23.931 -0.826 1.00 71.54 N ATOM 2139 CE2 TRP A 127 1.501 23.996 -2.177 1.00 33.14 C ATOM 2140 CE3 TRP A 127 0.818 22.795 -4.155 1.00 2.13 C ATOM 2141 CZ2 TRP A 127 2.273 24.880 -2.926 1.00 3.53 C ATOM 2142 CZ3 TRP A 127 1.583 23.672 -4.898 1.00 45.12 C ATOM 2143 CH2 TRP A 127 2.301 24.703 -4.282 1.00 41.54 C ATOM 0 H TRP A 127 -2.778 19.586 -2.546 1.00 2.04 H new ATOM 0 HA TRP A 127 -2.375 21.803 -0.637 1.00 42.42 H new ATOM 0 HB2 TRP A 127 -0.485 20.310 -1.112 1.00 62.52 H new ATOM 0 HB3 TRP A 127 -0.652 20.625 -2.828 1.00 62.52 H new ATOM 0 HD1 TRP A 127 0.113 22.606 0.433 1.00 44.21 H new ATOM 0 HE1 TRP A 127 1.696 24.561 -0.133 1.00 71.54 H new ATOM 0 HE3 TRP A 127 0.266 22.002 -4.637 1.00 2.13 H new ATOM 0 HZ2 TRP A 127 2.829 25.676 -2.454 1.00 3.53 H new ATOM 0 HZ3 TRP A 127 1.628 23.560 -5.971 1.00 45.12 H new ATOM 0 HH2 TRP A 127 2.890 25.373 -4.890 1.00 41.54 H new ATOM 2154 N GLY A 128 -3.296 21.812 -3.743 1.00 14.21 N ATOM 2155 CA GLY A 128 -3.845 22.569 -4.793 1.00 1.12 C ATOM 2156 C GLY A 128 -4.149 21.683 -5.950 1.00 43.02 C ATOM 2157 O GLY A 128 -4.168 22.169 -7.080 1.00 37.39 O ATOM 2158 OXT GLY A 128 -4.347 20.466 -5.740 1.00 37.39 O ATOM 0 H GLY A 128 -3.348 20.803 -3.886 1.00 14.21 H new ATOM 0 HA2 GLY A 128 -4.754 23.068 -4.457 1.00 1.12 H new ATOM 0 HA3 GLY A 128 -3.146 23.349 -5.095 1.00 1.12 H new TER 2162 GLY A 128