USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 724 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 48 THR OG1 : rot 137:sc= -0.0972 USER MOD Set 1.2: A 55 TYR OH : rot 131:sc= 0.174 USER MOD Set 2.1: A 23 SER OG : rot -61:sc= 0.0325 USER MOD Set 2.2: A 26 SER OG : rot 106:sc= 0.258 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.142 (180deg=-0.593) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00173 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-0.00257 (180deg=-0.115) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0084 F(o=-1.2,f=-0.0084) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0.381 (180deg=0.37) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.879 F(o=-3.9!,f=-0.88) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.117 F(o=-2.7!,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.0952 (180deg=-0.463) USER MOD Single : A 29 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.057) USER MOD Single : A 34 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.088) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0331) USER MOD Single : A 36 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -9:sc= 0.749 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0.626 (180deg=0.25) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00637 USER MOD Single : A 80 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.01) USER MOD Single : A 84 HIS : no HE2:sc= 0.274 K(o=0.27,f=-1.3) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.746 -4.259 5.415 1.00 13.42 N ATOM 2 CA MET A 1 -23.644 -4.090 6.386 1.00 71.25 C ATOM 3 C MET A 1 -22.516 -3.251 5.747 1.00 61.12 C ATOM 4 O MET A 1 -22.073 -3.583 4.641 1.00 65.33 O ATOM 5 CB MET A 1 -23.116 -5.483 6.837 1.00 62.34 C ATOM 6 CG MET A 1 -21.944 -5.432 7.825 1.00 74.42 C ATOM 7 SD MET A 1 -21.417 -7.063 8.394 1.00 21.04 S ATOM 8 CE MET A 1 -22.894 -7.629 9.251 1.00 51.41 C ATOM 0 H1 MET A 1 -25.173 -5.199 5.535 1.00 13.42 H new ATOM 0 H2 MET A 1 -25.467 -3.528 5.578 1.00 13.42 H new ATOM 0 H3 MET A 1 -24.374 -4.169 4.448 1.00 13.42 H new ATOM 0 HA MET A 1 -24.010 -3.564 7.268 1.00 71.25 H new ATOM 0 HB2 MET A 1 -23.936 -6.037 7.294 1.00 62.34 H new ATOM 0 HB3 MET A 1 -22.806 -6.043 5.954 1.00 62.34 H new ATOM 0 HG2 MET A 1 -21.100 -4.930 7.351 1.00 74.42 H new ATOM 0 HG3 MET A 1 -22.230 -4.829 8.687 1.00 74.42 H new ATOM 0 HE1 MET A 1 -22.630 -8.430 9.942 1.00 51.41 H new ATOM 0 HE2 MET A 1 -23.332 -6.800 9.807 1.00 51.41 H new ATOM 0 HE3 MET A 1 -23.616 -8.001 8.524 1.00 51.41 H new ATOM 20 N PRO A 2 -22.047 -2.128 6.406 1.00 34.42 N ATOM 21 CA PRO A 2 -20.900 -1.336 5.906 1.00 34.30 C ATOM 22 C PRO A 2 -19.611 -2.183 5.831 1.00 62.10 C ATOM 23 O PRO A 2 -19.052 -2.586 6.863 1.00 64.23 O ATOM 24 CB PRO A 2 -20.769 -0.170 6.934 1.00 15.12 C ATOM 25 CG PRO A 2 -22.100 -0.108 7.626 1.00 62.43 C ATOM 26 CD PRO A 2 -22.605 -1.537 7.659 1.00 11.30 C ATOM 0 HA PRO A 2 -21.055 -0.976 4.889 1.00 34.30 H new ATOM 0 HB2 PRO A 2 -19.964 -0.359 7.644 1.00 15.12 H new ATOM 0 HB3 PRO A 2 -20.540 0.772 6.435 1.00 15.12 H new ATOM 0 HG2 PRO A 2 -22.000 0.297 8.633 1.00 62.43 H new ATOM 0 HG3 PRO A 2 -22.792 0.541 7.089 1.00 62.43 H new ATOM 0 HD2 PRO A 2 -22.254 -2.067 8.545 1.00 11.30 H new ATOM 0 HD3 PRO A 2 -23.694 -1.578 7.673 1.00 11.30 H new ATOM 34 N SER A 3 -19.160 -2.459 4.597 1.00 72.23 N ATOM 35 CA SER A 3 -17.949 -3.253 4.333 1.00 34.24 C ATOM 36 C SER A 3 -16.668 -2.402 4.464 1.00 35.22 C ATOM 37 O SER A 3 -15.605 -2.839 4.052 1.00 13.03 O ATOM 38 CB SER A 3 -18.047 -3.885 2.919 1.00 61.51 C ATOM 39 OG SER A 3 -19.216 -4.678 2.793 1.00 31.03 O ATOM 0 H SER A 3 -19.627 -2.136 3.750 1.00 72.23 H new ATOM 0 HA SER A 3 -17.884 -4.043 5.081 1.00 34.24 H new ATOM 0 HB2 SER A 3 -18.055 -3.098 2.165 1.00 61.51 H new ATOM 0 HB3 SER A 3 -17.166 -4.498 2.730 1.00 61.51 H new ATOM 0 HG SER A 3 -19.255 -5.063 1.893 1.00 31.03 H new ATOM 45 N GLU A 4 -16.789 -1.209 5.101 1.00 43.10 N ATOM 46 CA GLU A 4 -15.693 -0.239 5.308 1.00 14.22 C ATOM 47 C GLU A 4 -14.419 -0.892 5.896 1.00 60.22 C ATOM 48 O GLU A 4 -13.311 -0.540 5.507 1.00 53.33 O ATOM 49 CB GLU A 4 -16.193 0.904 6.231 1.00 10.24 C ATOM 50 CG GLU A 4 -16.683 0.417 7.612 1.00 22.14 C ATOM 51 CD GLU A 4 -17.251 1.523 8.512 1.00 32.40 C ATOM 52 OE1 GLU A 4 -16.499 2.450 8.870 1.00 33.22 O ATOM 53 OE2 GLU A 4 -18.439 1.462 8.892 1.00 42.44 O ATOM 0 H GLU A 4 -17.675 -0.891 5.493 1.00 43.10 H new ATOM 0 HA GLU A 4 -15.412 0.160 4.333 1.00 14.22 H new ATOM 0 HB2 GLU A 4 -15.386 1.623 6.374 1.00 10.24 H new ATOM 0 HB3 GLU A 4 -17.006 1.432 5.733 1.00 10.24 H new ATOM 0 HG2 GLU A 4 -17.450 -0.343 7.464 1.00 22.14 H new ATOM 0 HG3 GLU A 4 -15.853 -0.064 8.129 1.00 22.14 H new ATOM 60 N GLU A 5 -14.605 -1.875 6.798 1.00 22.43 N ATOM 61 CA GLU A 5 -13.501 -2.596 7.456 1.00 12.43 C ATOM 62 C GLU A 5 -12.855 -3.609 6.498 1.00 72.31 C ATOM 63 O GLU A 5 -11.627 -3.785 6.490 1.00 61.05 O ATOM 64 CB GLU A 5 -14.032 -3.288 8.729 1.00 23.55 C ATOM 65 CG GLU A 5 -14.668 -2.313 9.742 1.00 42.31 C ATOM 66 CD GLU A 5 -13.658 -1.349 10.393 1.00 23.54 C ATOM 67 OE1 GLU A 5 -13.445 -0.231 9.875 1.00 3.11 O ATOM 68 OE2 GLU A 5 -13.077 -1.699 11.439 1.00 20.24 O ATOM 0 H GLU A 5 -15.529 -2.192 7.091 1.00 22.43 H new ATOM 0 HA GLU A 5 -12.726 -1.884 7.738 1.00 12.43 H new ATOM 0 HB2 GLU A 5 -14.771 -4.036 8.444 1.00 23.55 H new ATOM 0 HB3 GLU A 5 -13.212 -3.818 9.213 1.00 23.55 H new ATOM 0 HG2 GLU A 5 -15.439 -1.731 9.237 1.00 42.31 H new ATOM 0 HG3 GLU A 5 -15.164 -2.888 10.524 1.00 42.31 H new ATOM 75 N GLU A 6 -13.710 -4.233 5.661 1.00 63.44 N ATOM 76 CA GLU A 6 -13.278 -5.142 4.591 1.00 73.13 C ATOM 77 C GLU A 6 -12.586 -4.353 3.464 1.00 14.00 C ATOM 78 O GLU A 6 -11.779 -4.917 2.718 1.00 24.02 O ATOM 79 CB GLU A 6 -14.474 -5.968 4.044 1.00 62.34 C ATOM 80 CG GLU A 6 -14.091 -6.995 2.955 1.00 63.40 C ATOM 81 CD GLU A 6 -15.271 -7.822 2.439 1.00 71.12 C ATOM 82 OE1 GLU A 6 -16.041 -7.318 1.596 1.00 21.43 O ATOM 83 OE2 GLU A 6 -15.440 -8.982 2.874 1.00 62.13 O ATOM 0 H GLU A 6 -14.722 -4.117 5.713 1.00 63.44 H new ATOM 0 HA GLU A 6 -12.557 -5.845 5.008 1.00 73.13 H new ATOM 0 HB2 GLU A 6 -14.947 -6.494 4.873 1.00 62.34 H new ATOM 0 HB3 GLU A 6 -15.217 -5.283 3.636 1.00 62.34 H new ATOM 0 HG2 GLU A 6 -13.635 -6.468 2.117 1.00 63.40 H new ATOM 0 HG3 GLU A 6 -13.335 -7.670 3.356 1.00 63.40 H new ATOM 90 N GLU A 7 -12.887 -3.040 3.360 1.00 71.14 N ATOM 91 CA GLU A 7 -12.245 -2.179 2.362 1.00 22.22 C ATOM 92 C GLU A 7 -10.741 -2.098 2.630 1.00 31.12 C ATOM 93 O GLU A 7 -9.967 -2.375 1.734 1.00 74.11 O ATOM 94 CB GLU A 7 -12.874 -0.765 2.277 1.00 63.32 C ATOM 95 CG GLU A 7 -14.376 -0.733 1.886 1.00 21.10 C ATOM 96 CD GLU A 7 -14.757 -1.707 0.751 1.00 34.44 C ATOM 97 OE1 GLU A 7 -15.566 -2.629 0.978 1.00 44.32 O ATOM 98 OE2 GLU A 7 -14.223 -1.575 -0.373 1.00 45.52 O ATOM 0 H GLU A 7 -13.566 -2.563 3.953 1.00 71.14 H new ATOM 0 HA GLU A 7 -12.414 -2.638 1.388 1.00 22.22 H new ATOM 0 HB2 GLU A 7 -12.756 -0.273 3.243 1.00 63.32 H new ATOM 0 HB3 GLU A 7 -12.313 -0.178 1.550 1.00 63.32 H new ATOM 0 HG2 GLU A 7 -14.974 -0.968 2.767 1.00 21.10 H new ATOM 0 HG3 GLU A 7 -14.639 0.280 1.583 1.00 21.10 H new ATOM 105 N LYS A 8 -10.333 -1.807 3.891 1.00 42.44 N ATOM 106 CA LYS A 8 -8.893 -1.735 4.258 1.00 53.24 C ATOM 107 C LYS A 8 -8.173 -3.093 4.067 1.00 71.21 C ATOM 108 O LYS A 8 -6.957 -3.123 3.859 1.00 4.45 O ATOM 109 CB LYS A 8 -8.671 -1.216 5.705 1.00 25.45 C ATOM 110 CG LYS A 8 -9.030 0.279 5.945 1.00 34.03 C ATOM 111 CD LYS A 8 -10.503 0.520 6.341 1.00 73.15 C ATOM 112 CE LYS A 8 -10.849 -0.045 7.734 1.00 44.43 C ATOM 113 NZ LYS A 8 -10.036 0.554 8.825 1.00 75.12 N ATOM 0 H LYS A 8 -10.972 -1.620 4.664 1.00 42.44 H new ATOM 0 HA LYS A 8 -8.453 -1.012 3.571 1.00 53.24 H new ATOM 0 HB2 LYS A 8 -9.263 -1.827 6.386 1.00 25.45 H new ATOM 0 HB3 LYS A 8 -7.624 -1.367 5.970 1.00 25.45 H new ATOM 0 HG2 LYS A 8 -8.385 0.675 6.730 1.00 34.03 H new ATOM 0 HG3 LYS A 8 -8.812 0.844 5.038 1.00 34.03 H new ATOM 0 HD2 LYS A 8 -10.707 1.591 6.327 1.00 73.15 H new ATOM 0 HD3 LYS A 8 -11.154 0.062 5.596 1.00 73.15 H new ATOM 0 HE2 LYS A 8 -11.905 0.130 7.938 1.00 44.43 H new ATOM 0 HE3 LYS A 8 -10.700 -1.125 7.729 1.00 44.43 H new ATOM 0 HZ1 LYS A 8 -10.414 0.252 9.746 1.00 75.12 H new ATOM 0 HZ2 LYS A 8 -9.049 0.239 8.735 1.00 75.12 H new ATOM 0 HZ3 LYS A 8 -10.076 1.591 8.758 1.00 75.12 H new ATOM 127 N ARG A 9 -8.936 -4.204 4.142 1.00 64.15 N ATOM 128 CA ARG A 9 -8.416 -5.554 3.818 1.00 33.35 C ATOM 129 C ARG A 9 -8.011 -5.616 2.329 1.00 21.03 C ATOM 130 O ARG A 9 -6.926 -6.099 1.982 1.00 75.34 O ATOM 131 CB ARG A 9 -9.462 -6.659 4.126 1.00 50.12 C ATOM 132 CG ARG A 9 -9.924 -6.722 5.595 1.00 64.32 C ATOM 133 CD ARG A 9 -10.979 -7.819 5.840 1.00 20.35 C ATOM 134 NE ARG A 9 -11.498 -7.777 7.217 1.00 0.01 N ATOM 135 CZ ARG A 9 -12.683 -8.275 7.622 1.00 21.45 C ATOM 136 NH1 ARG A 9 -13.509 -8.872 6.762 1.00 12.30 N ATOM 137 NH2 ARG A 9 -13.020 -8.174 8.900 1.00 31.35 N ATOM 0 H ARG A 9 -9.916 -4.195 4.424 1.00 64.15 H new ATOM 0 HA ARG A 9 -7.543 -5.736 4.445 1.00 33.35 H new ATOM 0 HB2 ARG A 9 -10.334 -6.500 3.492 1.00 50.12 H new ATOM 0 HB3 ARG A 9 -9.040 -7.626 3.851 1.00 50.12 H new ATOM 0 HG2 ARG A 9 -9.061 -6.904 6.236 1.00 64.32 H new ATOM 0 HG3 ARG A 9 -10.337 -5.755 5.884 1.00 64.32 H new ATOM 0 HD2 ARG A 9 -11.803 -7.696 5.137 1.00 20.35 H new ATOM 0 HD3 ARG A 9 -10.539 -8.797 5.647 1.00 20.35 H new ATOM 0 HE ARG A 9 -10.911 -7.334 7.924 1.00 0.01 H new ATOM 0 HH11 ARG A 9 -13.248 -8.958 5.780 1.00 12.30 H new ATOM 0 HH12 ARG A 9 -14.402 -9.243 7.086 1.00 12.30 H new ATOM 0 HH21 ARG A 9 -12.386 -7.724 9.561 1.00 31.35 H new ATOM 0 HH22 ARG A 9 -13.913 -8.546 9.223 1.00 31.35 H new ATOM 151 N GLN A 10 -8.898 -5.085 1.472 1.00 15.13 N ATOM 152 CA GLN A 10 -8.681 -5.007 0.020 1.00 52.25 C ATOM 153 C GLN A 10 -7.562 -3.996 -0.315 1.00 43.23 C ATOM 154 O GLN A 10 -6.748 -4.254 -1.187 1.00 13.51 O ATOM 155 CB GLN A 10 -10.008 -4.612 -0.693 1.00 40.44 C ATOM 156 CG GLN A 10 -11.172 -5.597 -0.453 1.00 2.31 C ATOM 157 CD GLN A 10 -12.497 -5.114 -1.037 1.00 31.45 C ATOM 158 OE1 GLN A 10 -13.268 -4.399 -0.235 1.00 41.15 O flip ATOM 159 NE2 GLN A 10 -12.828 -5.389 -2.191 1.00 72.23 N flip ATOM 0 H GLN A 10 -9.792 -4.695 1.770 1.00 15.13 H new ATOM 0 HA GLN A 10 -8.365 -5.987 -0.339 1.00 52.25 H new ATOM 0 HB2 GLN A 10 -10.309 -3.621 -0.353 1.00 40.44 H new ATOM 0 HB3 GLN A 10 -9.824 -4.539 -1.765 1.00 40.44 H new ATOM 0 HG2 GLN A 10 -10.919 -6.562 -0.892 1.00 2.31 H new ATOM 0 HG3 GLN A 10 -11.291 -5.755 0.619 1.00 2.31 H new ATOM 0 HE21 GLN A 10 -12.207 -5.943 -2.781 1.00 72.23 H new ATOM 0 HE22 GLN A 10 -13.723 -5.063 -2.556 1.00 72.23 H new ATOM 168 N VAL A 11 -7.511 -2.875 0.437 1.00 63.24 N ATOM 169 CA VAL A 11 -6.584 -1.750 0.177 1.00 53.33 C ATOM 170 C VAL A 11 -5.115 -2.158 0.396 1.00 34.51 C ATOM 171 O VAL A 11 -4.278 -1.932 -0.478 1.00 34.22 O ATOM 172 CB VAL A 11 -6.943 -0.500 1.074 1.00 60.41 C ATOM 173 CG1 VAL A 11 -5.916 0.635 0.925 1.00 23.33 C ATOM 174 CG2 VAL A 11 -8.345 0.036 0.741 1.00 52.03 C ATOM 0 H VAL A 11 -8.114 -2.724 1.245 1.00 63.24 H new ATOM 0 HA VAL A 11 -6.703 -1.474 -0.871 1.00 53.33 H new ATOM 0 HB VAL A 11 -6.923 -0.846 2.107 1.00 60.41 H new ATOM 0 HG11 VAL A 11 -6.205 1.472 1.560 1.00 23.33 H new ATOM 0 HG12 VAL A 11 -4.931 0.276 1.223 1.00 23.33 H new ATOM 0 HG13 VAL A 11 -5.884 0.962 -0.114 1.00 23.33 H new ATOM 0 HG21 VAL A 11 -8.565 0.896 1.373 1.00 52.03 H new ATOM 0 HG22 VAL A 11 -8.380 0.337 -0.306 1.00 52.03 H new ATOM 0 HG23 VAL A 11 -9.085 -0.744 0.919 1.00 52.03 H new ATOM 184 N LYS A 12 -4.818 -2.770 1.569 1.00 21.41 N ATOM 185 CA LYS A 12 -3.447 -3.215 1.908 1.00 71.43 C ATOM 186 C LYS A 12 -2.987 -4.341 0.974 1.00 64.23 C ATOM 187 O LYS A 12 -1.797 -4.453 0.676 1.00 11.04 O ATOM 188 CB LYS A 12 -3.347 -3.711 3.368 1.00 14.15 C ATOM 189 CG LYS A 12 -3.741 -2.676 4.435 1.00 44.42 C ATOM 190 CD LYS A 12 -3.418 -3.156 5.868 1.00 42.40 C ATOM 191 CE LYS A 12 -4.066 -4.495 6.234 1.00 31.21 C ATOM 192 NZ LYS A 12 -5.533 -4.470 6.029 1.00 34.12 N ATOM 0 H LYS A 12 -5.509 -2.965 2.293 1.00 21.41 H new ATOM 0 HA LYS A 12 -2.801 -2.346 1.785 1.00 71.43 H new ATOM 0 HB2 LYS A 12 -3.984 -4.588 3.482 1.00 14.15 H new ATOM 0 HB3 LYS A 12 -2.323 -4.033 3.557 1.00 14.15 H new ATOM 0 HG2 LYS A 12 -3.216 -1.740 4.241 1.00 44.42 H new ATOM 0 HG3 LYS A 12 -4.808 -2.465 4.357 1.00 44.42 H new ATOM 0 HD2 LYS A 12 -2.337 -3.245 5.976 1.00 42.40 H new ATOM 0 HD3 LYS A 12 -3.748 -2.398 6.578 1.00 42.40 H new ATOM 0 HE2 LYS A 12 -3.628 -5.288 5.629 1.00 31.21 H new ATOM 0 HE3 LYS A 12 -3.848 -4.732 7.276 1.00 31.21 H new ATOM 0 HZ1 LYS A 12 -5.938 -5.388 6.304 1.00 34.12 H new ATOM 0 HZ2 LYS A 12 -5.952 -3.718 6.613 1.00 34.12 H new ATOM 0 HZ3 LYS A 12 -5.740 -4.286 5.027 1.00 34.12 H new ATOM 206 N GLN A 13 -3.950 -5.181 0.541 1.00 33.11 N ATOM 207 CA GLN A 13 -3.686 -6.271 -0.406 1.00 33.22 C ATOM 208 C GLN A 13 -3.277 -5.700 -1.777 1.00 44.35 C ATOM 209 O GLN A 13 -2.217 -6.031 -2.282 1.00 20.22 O ATOM 210 CB GLN A 13 -4.924 -7.196 -0.537 1.00 14.43 C ATOM 211 CG GLN A 13 -4.769 -8.329 -1.577 1.00 12.24 C ATOM 212 CD GLN A 13 -5.994 -9.230 -1.730 1.00 42.12 C ATOM 213 OE1 GLN A 13 -7.193 -8.695 -1.522 1.00 45.15 O flip ATOM 214 NE2 GLN A 13 -5.869 -10.409 -2.066 1.00 11.44 N flip ATOM 0 H GLN A 13 -4.924 -5.119 0.839 1.00 33.11 H new ATOM 0 HA GLN A 13 -2.860 -6.870 -0.024 1.00 33.22 H new ATOM 0 HB2 GLN A 13 -5.135 -7.639 0.436 1.00 14.43 H new ATOM 0 HB3 GLN A 13 -5.789 -6.589 -0.805 1.00 14.43 H new ATOM 0 HG2 GLN A 13 -4.539 -7.885 -2.546 1.00 12.24 H new ATOM 0 HG3 GLN A 13 -3.915 -8.945 -1.297 1.00 12.24 H new ATOM 0 HE21 GLN A 13 -4.939 -10.799 -2.220 1.00 11.44 H new ATOM 0 HE22 GLN A 13 -6.695 -10.994 -2.190 1.00 11.44 H new ATOM 223 N VAL A 14 -4.106 -4.801 -2.335 1.00 11.30 N ATOM 224 CA VAL A 14 -3.828 -4.143 -3.631 1.00 51.31 C ATOM 225 C VAL A 14 -2.492 -3.362 -3.563 1.00 1.23 C ATOM 226 O VAL A 14 -1.695 -3.394 -4.504 1.00 62.33 O ATOM 227 CB VAL A 14 -5.026 -3.201 -4.061 1.00 55.43 C ATOM 228 CG1 VAL A 14 -4.705 -2.397 -5.338 1.00 75.43 C ATOM 229 CG2 VAL A 14 -6.335 -4.016 -4.265 1.00 4.41 C ATOM 0 H VAL A 14 -4.984 -4.509 -1.906 1.00 11.30 H new ATOM 0 HA VAL A 14 -3.731 -4.914 -4.395 1.00 51.31 H new ATOM 0 HB VAL A 14 -5.172 -2.492 -3.246 1.00 55.43 H new ATOM 0 HG11 VAL A 14 -5.556 -1.766 -5.594 1.00 75.43 H new ATOM 0 HG12 VAL A 14 -3.829 -1.772 -5.164 1.00 75.43 H new ATOM 0 HG13 VAL A 14 -4.503 -3.084 -6.160 1.00 75.43 H new ATOM 0 HG21 VAL A 14 -7.140 -3.343 -4.560 1.00 4.41 H new ATOM 0 HG22 VAL A 14 -6.181 -4.762 -5.045 1.00 4.41 H new ATOM 0 HG23 VAL A 14 -6.602 -4.515 -3.333 1.00 4.41 H new ATOM 239 N ALA A 15 -2.235 -2.738 -2.400 1.00 31.05 N ATOM 240 CA ALA A 15 -1.016 -1.961 -2.147 1.00 13.42 C ATOM 241 C ALA A 15 0.248 -2.852 -2.155 1.00 54.33 C ATOM 242 O ALA A 15 1.262 -2.500 -2.788 1.00 35.33 O ATOM 243 CB ALA A 15 -1.154 -1.223 -0.810 1.00 73.51 C ATOM 0 H ALA A 15 -2.874 -2.761 -1.605 1.00 31.05 H new ATOM 0 HA ALA A 15 -0.896 -1.237 -2.953 1.00 13.42 H new ATOM 0 HB1 ALA A 15 -0.250 -0.645 -0.619 1.00 73.51 H new ATOM 0 HB2 ALA A 15 -2.012 -0.552 -0.852 1.00 73.51 H new ATOM 0 HB3 ALA A 15 -1.298 -1.947 -0.008 1.00 73.51 H new ATOM 249 N LYS A 16 0.163 -4.025 -1.480 1.00 42.11 N ATOM 250 CA LYS A 16 1.298 -4.964 -1.381 1.00 31.22 C ATOM 251 C LYS A 16 1.553 -5.644 -2.728 1.00 44.22 C ATOM 252 O LYS A 16 2.691 -5.960 -3.044 1.00 12.24 O ATOM 253 CB LYS A 16 1.098 -6.053 -0.275 1.00 21.12 C ATOM 254 CG LYS A 16 0.045 -7.138 -0.566 1.00 40.14 C ATOM 255 CD LYS A 16 0.045 -8.281 0.467 1.00 72.23 C ATOM 256 CE LYS A 16 1.343 -9.108 0.455 1.00 65.01 C ATOM 257 NZ LYS A 16 1.275 -10.241 1.419 1.00 21.53 N ATOM 0 H LYS A 16 -0.680 -4.339 -0.999 1.00 42.11 H new ATOM 0 HA LYS A 16 2.164 -4.366 -1.096 1.00 31.22 H new ATOM 0 HB2 LYS A 16 2.056 -6.544 -0.102 1.00 21.12 H new ATOM 0 HB3 LYS A 16 0.824 -5.551 0.653 1.00 21.12 H new ATOM 0 HG2 LYS A 16 -0.943 -6.678 -0.589 1.00 40.14 H new ATOM 0 HG3 LYS A 16 0.226 -7.554 -1.557 1.00 40.14 H new ATOM 0 HD2 LYS A 16 -0.102 -7.862 1.463 1.00 72.23 H new ATOM 0 HD3 LYS A 16 -0.800 -8.940 0.270 1.00 72.23 H new ATOM 0 HE2 LYS A 16 1.522 -9.493 -0.549 1.00 65.01 H new ATOM 0 HE3 LYS A 16 2.188 -8.466 0.705 1.00 65.01 H new ATOM 0 HZ1 LYS A 16 2.165 -10.778 1.387 1.00 21.53 H new ATOM 0 HZ2 LYS A 16 1.129 -9.871 2.380 1.00 21.53 H new ATOM 0 HZ3 LYS A 16 0.484 -10.866 1.165 1.00 21.53 H new ATOM 271 N GLU A 17 0.468 -5.841 -3.515 1.00 11.24 N ATOM 272 CA GLU A 17 0.530 -6.476 -4.845 1.00 13.24 C ATOM 273 C GLU A 17 1.318 -5.606 -5.822 1.00 12.34 C ATOM 274 O GLU A 17 2.097 -6.131 -6.607 1.00 61.12 O ATOM 275 CB GLU A 17 -0.889 -6.766 -5.409 1.00 54.51 C ATOM 276 CG GLU A 17 -1.646 -7.886 -4.666 1.00 44.43 C ATOM 277 CD GLU A 17 -3.080 -8.078 -5.176 1.00 61.44 C ATOM 278 OE1 GLU A 17 -3.969 -7.306 -4.781 1.00 61.41 O ATOM 279 OE2 GLU A 17 -3.327 -9.005 -5.978 1.00 22.45 O ATOM 0 H GLU A 17 -0.474 -5.562 -3.241 1.00 11.24 H new ATOM 0 HA GLU A 17 1.045 -7.430 -4.727 1.00 13.24 H new ATOM 0 HB2 GLU A 17 -1.480 -5.851 -5.364 1.00 54.51 H new ATOM 0 HB3 GLU A 17 -0.802 -7.038 -6.461 1.00 54.51 H new ATOM 0 HG2 GLU A 17 -1.098 -8.822 -4.776 1.00 44.43 H new ATOM 0 HG3 GLU A 17 -1.672 -7.655 -3.601 1.00 44.43 H new ATOM 286 N LYS A 18 1.125 -4.272 -5.753 1.00 71.10 N ATOM 287 CA LYS A 18 1.851 -3.325 -6.627 1.00 61.34 C ATOM 288 C LYS A 18 3.324 -3.198 -6.188 1.00 45.41 C ATOM 289 O LYS A 18 4.206 -2.918 -7.006 1.00 63.23 O ATOM 290 CB LYS A 18 1.157 -1.937 -6.672 1.00 34.31 C ATOM 291 CG LYS A 18 -0.353 -1.974 -6.989 1.00 22.23 C ATOM 292 CD LYS A 18 -0.726 -2.831 -8.226 1.00 72.23 C ATOM 293 CE LYS A 18 -2.250 -2.934 -8.409 1.00 62.43 C ATOM 294 NZ LYS A 18 -2.621 -3.879 -9.500 1.00 14.23 N ATOM 0 H LYS A 18 0.476 -3.827 -5.104 1.00 71.10 H new ATOM 0 HA LYS A 18 1.830 -3.727 -7.640 1.00 61.34 H new ATOM 0 HB2 LYS A 18 1.299 -1.445 -5.710 1.00 34.31 H new ATOM 0 HB3 LYS A 18 1.656 -1.322 -7.421 1.00 34.31 H new ATOM 0 HG2 LYS A 18 -0.885 -2.361 -6.120 1.00 22.23 H new ATOM 0 HG3 LYS A 18 -0.703 -0.954 -7.149 1.00 22.23 H new ATOM 0 HD2 LYS A 18 -0.281 -2.393 -9.120 1.00 72.23 H new ATOM 0 HD3 LYS A 18 -0.304 -3.830 -8.117 1.00 72.23 H new ATOM 0 HE2 LYS A 18 -2.705 -3.263 -7.475 1.00 62.43 H new ATOM 0 HE3 LYS A 18 -2.656 -1.947 -8.631 1.00 62.43 H new ATOM 0 HZ1 LYS A 18 -3.656 -3.918 -9.589 1.00 14.23 H new ATOM 0 HZ2 LYS A 18 -2.209 -3.553 -10.397 1.00 14.23 H new ATOM 0 HZ3 LYS A 18 -2.257 -4.827 -9.277 1.00 14.23 H new ATOM 308 N LEU A 19 3.578 -3.415 -4.882 1.00 30.32 N ATOM 309 CA LEU A 19 4.947 -3.556 -4.341 1.00 12.42 C ATOM 310 C LEU A 19 5.591 -4.885 -4.798 1.00 3.31 C ATOM 311 O LEU A 19 6.806 -4.955 -4.987 1.00 21.31 O ATOM 312 CB LEU A 19 4.933 -3.435 -2.788 1.00 73.34 C ATOM 313 CG LEU A 19 4.736 -1.990 -2.231 1.00 62.22 C ATOM 314 CD1 LEU A 19 4.662 -1.981 -0.693 1.00 62.44 C ATOM 315 CD2 LEU A 19 5.860 -1.064 -2.735 1.00 33.52 C ATOM 0 H LEU A 19 2.846 -3.497 -4.176 1.00 30.32 H new ATOM 0 HA LEU A 19 5.559 -2.745 -4.737 1.00 12.42 H new ATOM 0 HB2 LEU A 19 4.136 -4.068 -2.398 1.00 73.34 H new ATOM 0 HB3 LEU A 19 5.872 -3.830 -2.401 1.00 73.34 H new ATOM 0 HG LEU A 19 3.783 -1.614 -2.603 1.00 62.22 H new ATOM 0 HD11 LEU A 19 4.525 -0.958 -0.341 1.00 62.44 H new ATOM 0 HD12 LEU A 19 3.822 -2.593 -0.366 1.00 62.44 H new ATOM 0 HD13 LEU A 19 5.587 -2.385 -0.282 1.00 62.44 H new ATOM 0 HD21 LEU A 19 5.709 -0.060 -2.339 1.00 33.52 H new ATOM 0 HD22 LEU A 19 6.824 -1.446 -2.399 1.00 33.52 H new ATOM 0 HD23 LEU A 19 5.843 -1.030 -3.824 1.00 33.52 H new ATOM 327 N LEU A 20 4.752 -5.921 -4.993 1.00 13.30 N ATOM 328 CA LEU A 20 5.174 -7.235 -5.522 1.00 10.25 C ATOM 329 C LEU A 20 5.325 -7.189 -7.062 1.00 4.25 C ATOM 330 O LEU A 20 5.955 -8.061 -7.641 1.00 41.41 O ATOM 331 CB LEU A 20 4.162 -8.345 -5.098 1.00 23.11 C ATOM 332 CG LEU A 20 4.114 -8.678 -3.568 1.00 21.54 C ATOM 333 CD1 LEU A 20 2.877 -9.539 -3.210 1.00 65.13 C ATOM 334 CD2 LEU A 20 5.424 -9.353 -3.097 1.00 50.04 C ATOM 0 H LEU A 20 3.754 -5.870 -4.787 1.00 13.30 H new ATOM 0 HA LEU A 20 6.148 -7.477 -5.097 1.00 10.25 H new ATOM 0 HB2 LEU A 20 3.165 -8.041 -5.415 1.00 23.11 H new ATOM 0 HB3 LEU A 20 4.405 -9.258 -5.642 1.00 23.11 H new ATOM 0 HG LEU A 20 4.018 -7.733 -3.033 1.00 21.54 H new ATOM 0 HD11 LEU A 20 2.878 -9.750 -2.141 1.00 65.13 H new ATOM 0 HD12 LEU A 20 1.968 -8.997 -3.472 1.00 65.13 H new ATOM 0 HD13 LEU A 20 2.913 -10.477 -3.765 1.00 65.13 H new ATOM 0 HD21 LEU A 20 5.358 -9.571 -2.031 1.00 50.04 H new ATOM 0 HD22 LEU A 20 5.574 -10.281 -3.649 1.00 50.04 H new ATOM 0 HD23 LEU A 20 6.264 -8.683 -3.279 1.00 50.04 H new ATOM 346 N GLU A 21 4.728 -6.174 -7.717 1.00 30.12 N ATOM 347 CA GLU A 21 4.937 -5.926 -9.166 1.00 33.40 C ATOM 348 C GLU A 21 6.354 -5.383 -9.400 1.00 52.33 C ATOM 349 O GLU A 21 7.033 -5.767 -10.354 1.00 72.14 O ATOM 350 CB GLU A 21 3.878 -4.934 -9.730 1.00 43.43 C ATOM 351 CG GLU A 21 2.420 -5.438 -9.664 1.00 22.43 C ATOM 352 CD GLU A 21 2.122 -6.645 -10.572 1.00 25.51 C ATOM 353 OE1 GLU A 21 2.412 -7.803 -10.184 1.00 74.00 O ATOM 354 OE2 GLU A 21 1.578 -6.438 -11.678 1.00 11.11 O ATOM 0 H GLU A 21 4.096 -5.510 -7.270 1.00 30.12 H new ATOM 0 HA GLU A 21 4.820 -6.872 -9.695 1.00 33.40 H new ATOM 0 HB2 GLU A 21 3.949 -3.996 -9.179 1.00 43.43 H new ATOM 0 HB3 GLU A 21 4.125 -4.713 -10.768 1.00 43.43 H new ATOM 0 HG2 GLU A 21 2.188 -5.708 -8.634 1.00 22.43 H new ATOM 0 HG3 GLU A 21 1.753 -4.620 -9.937 1.00 22.43 H new ATOM 361 N GLN A 22 6.777 -4.485 -8.503 1.00 24.24 N ATOM 362 CA GLN A 22 8.115 -3.871 -8.526 1.00 5.35 C ATOM 363 C GLN A 22 9.174 -4.861 -8.001 1.00 54.41 C ATOM 364 O GLN A 22 10.291 -4.926 -8.523 1.00 54.24 O ATOM 365 CB GLN A 22 8.105 -2.587 -7.656 1.00 14.31 C ATOM 366 CG GLN A 22 7.043 -1.552 -8.064 1.00 63.15 C ATOM 367 CD GLN A 22 6.944 -0.398 -7.076 1.00 64.41 C ATOM 368 OE1 GLN A 22 6.133 -0.564 -6.051 1.00 34.54 O flip ATOM 369 NE2 GLN A 22 7.612 0.619 -7.214 1.00 62.31 N flip ATOM 0 H GLN A 22 6.196 -4.159 -7.731 1.00 24.24 H new ATOM 0 HA GLN A 22 8.371 -3.612 -9.553 1.00 5.35 H new ATOM 0 HB2 GLN A 22 7.940 -2.869 -6.616 1.00 14.31 H new ATOM 0 HB3 GLN A 22 9.089 -2.120 -7.707 1.00 14.31 H new ATOM 0 HG2 GLN A 22 7.283 -1.160 -9.052 1.00 63.15 H new ATOM 0 HG3 GLN A 22 6.073 -2.043 -8.143 1.00 63.15 H new ATOM 0 HE21 GLN A 22 8.231 0.717 -8.019 1.00 62.31 H new ATOM 0 HE22 GLN A 22 7.550 1.368 -6.524 1.00 62.31 H new ATOM 378 N SER A 23 8.783 -5.647 -6.981 1.00 43.12 N ATOM 379 CA SER A 23 9.687 -6.545 -6.252 1.00 21.32 C ATOM 380 C SER A 23 8.904 -7.736 -5.640 1.00 34.02 C ATOM 381 O SER A 23 8.461 -7.663 -4.482 1.00 41.23 O ATOM 382 CB SER A 23 10.446 -5.747 -5.157 1.00 31.35 C ATOM 383 OG SER A 23 11.261 -6.594 -4.359 1.00 15.43 O ATOM 0 H SER A 23 7.822 -5.674 -6.640 1.00 43.12 H new ATOM 0 HA SER A 23 10.417 -6.958 -6.948 1.00 21.32 H new ATOM 0 HB2 SER A 23 11.066 -4.983 -5.627 1.00 31.35 H new ATOM 0 HB3 SER A 23 9.728 -5.228 -4.521 1.00 31.35 H new ATOM 0 HG SER A 23 10.699 -7.258 -3.908 1.00 15.43 H new ATOM 389 N PRO A 24 8.690 -8.848 -6.419 1.00 10.51 N ATOM 390 CA PRO A 24 7.998 -10.060 -5.908 1.00 40.02 C ATOM 391 C PRO A 24 8.913 -10.942 -5.036 1.00 3.23 C ATOM 392 O PRO A 24 8.420 -11.763 -4.250 1.00 33.43 O ATOM 393 CB PRO A 24 7.558 -10.783 -7.203 1.00 30.23 C ATOM 394 CG PRO A 24 8.588 -10.405 -8.228 1.00 23.22 C ATOM 395 CD PRO A 24 9.064 -9.003 -7.862 1.00 33.22 C ATOM 0 HA PRO A 24 7.165 -9.819 -5.247 1.00 40.02 H new ATOM 0 HB2 PRO A 24 7.522 -11.863 -7.059 1.00 30.23 H new ATOM 0 HB3 PRO A 24 6.561 -10.469 -7.511 1.00 30.23 H new ATOM 0 HG2 PRO A 24 9.418 -11.111 -8.223 1.00 23.22 H new ATOM 0 HG3 PRO A 24 8.162 -10.421 -9.231 1.00 23.22 H new ATOM 0 HD2 PRO A 24 10.139 -8.898 -8.007 1.00 33.22 H new ATOM 0 HD3 PRO A 24 8.583 -8.246 -8.481 1.00 33.22 H new ATOM 403 N ASN A 25 10.242 -10.757 -5.170 1.00 51.02 N ATOM 404 CA ASN A 25 11.261 -11.588 -4.485 1.00 73.31 C ATOM 405 C ASN A 25 11.401 -11.184 -3.007 1.00 63.24 C ATOM 406 O ASN A 25 11.907 -11.958 -2.197 1.00 24.34 O ATOM 407 CB ASN A 25 12.640 -11.489 -5.211 1.00 65.10 C ATOM 408 CG ASN A 25 12.686 -12.059 -6.642 1.00 62.54 C ATOM 409 OD1 ASN A 25 11.595 -11.986 -7.396 1.00 24.14 O flip ATOM 410 ND2 ASN A 25 13.726 -12.550 -7.087 1.00 54.43 N flip ATOM 0 H ASN A 25 10.643 -10.026 -5.757 1.00 51.02 H new ATOM 0 HA ASN A 25 10.926 -12.624 -4.524 1.00 73.31 H new ATOM 0 HB2 ASN A 25 12.936 -10.440 -5.248 1.00 65.10 H new ATOM 0 HB3 ASN A 25 13.385 -12.009 -4.609 1.00 65.10 H new ATOM 0 HD21 ASN A 25 14.558 -12.601 -6.499 1.00 54.43 H new ATOM 0 HD22 ASN A 25 13.754 -12.905 -8.043 1.00 54.43 H new ATOM 417 N SER A 26 10.950 -9.966 -2.667 1.00 60.44 N ATOM 418 CA SER A 26 11.011 -9.438 -1.292 1.00 33.04 C ATOM 419 C SER A 26 9.636 -9.584 -0.608 1.00 73.12 C ATOM 420 O SER A 26 8.593 -9.425 -1.255 1.00 35.44 O ATOM 421 CB SER A 26 11.452 -7.962 -1.325 1.00 63.41 C ATOM 422 OG SER A 26 12.693 -7.816 -2.002 1.00 41.12 O ATOM 0 H SER A 26 10.533 -9.319 -3.336 1.00 60.44 H new ATOM 0 HA SER A 26 11.740 -10.008 -0.716 1.00 33.04 H new ATOM 0 HB2 SER A 26 10.690 -7.362 -1.822 1.00 63.41 H new ATOM 0 HB3 SER A 26 11.542 -7.583 -0.307 1.00 63.41 H new ATOM 0 HG SER A 26 12.539 -7.424 -2.887 1.00 41.12 H new ATOM 428 N LYS A 27 9.659 -9.926 0.695 1.00 21.50 N ATOM 429 CA LYS A 27 8.454 -10.081 1.528 1.00 2.43 C ATOM 430 C LYS A 27 7.922 -8.691 1.929 1.00 72.41 C ATOM 431 O LYS A 27 8.636 -7.911 2.583 1.00 11.25 O ATOM 432 CB LYS A 27 8.774 -10.943 2.795 1.00 72.40 C ATOM 433 CG LYS A 27 8.822 -12.497 2.607 1.00 11.51 C ATOM 434 CD LYS A 27 10.000 -13.057 1.744 1.00 24.23 C ATOM 435 CE LYS A 27 9.676 -13.156 0.238 1.00 32.23 C ATOM 436 NZ LYS A 27 8.508 -14.036 -0.039 1.00 53.24 N ATOM 0 H LYS A 27 10.525 -10.104 1.203 1.00 21.50 H new ATOM 0 HA LYS A 27 7.685 -10.599 0.956 1.00 2.43 H new ATOM 0 HB2 LYS A 27 9.737 -10.620 3.189 1.00 72.40 H new ATOM 0 HB3 LYS A 27 8.026 -10.717 3.555 1.00 72.40 H new ATOM 0 HG2 LYS A 27 8.871 -12.959 3.593 1.00 11.51 H new ATOM 0 HG3 LYS A 27 7.884 -12.815 2.152 1.00 11.51 H new ATOM 0 HD2 LYS A 27 10.872 -12.417 1.877 1.00 24.23 H new ATOM 0 HD3 LYS A 27 10.271 -14.046 2.114 1.00 24.23 H new ATOM 0 HE2 LYS A 27 9.476 -12.159 -0.153 1.00 32.23 H new ATOM 0 HE3 LYS A 27 10.548 -13.538 -0.293 1.00 32.23 H new ATOM 0 HZ1 LYS A 27 8.532 -14.343 -1.033 1.00 53.24 H new ATOM 0 HZ2 LYS A 27 8.547 -14.870 0.582 1.00 53.24 H new ATOM 0 HZ3 LYS A 27 7.628 -13.512 0.140 1.00 53.24 H new ATOM 450 N VAL A 28 6.670 -8.390 1.530 1.00 34.34 N ATOM 451 CA VAL A 28 6.029 -7.100 1.808 1.00 44.34 C ATOM 452 C VAL A 28 5.111 -7.238 3.041 1.00 44.01 C ATOM 453 O VAL A 28 4.108 -7.956 3.007 1.00 34.33 O ATOM 454 CB VAL A 28 5.192 -6.607 0.568 1.00 55.34 C ATOM 455 CG1 VAL A 28 4.553 -5.232 0.846 1.00 4.22 C ATOM 456 CG2 VAL A 28 6.062 -6.569 -0.713 1.00 25.54 C ATOM 0 H VAL A 28 6.080 -9.037 1.007 1.00 34.34 H new ATOM 0 HA VAL A 28 6.805 -6.361 2.008 1.00 44.34 H new ATOM 0 HB VAL A 28 4.387 -7.323 0.401 1.00 55.34 H new ATOM 0 HG11 VAL A 28 3.981 -4.914 -0.025 1.00 4.22 H new ATOM 0 HG12 VAL A 28 3.890 -5.306 1.708 1.00 4.22 H new ATOM 0 HG13 VAL A 28 5.336 -4.502 1.052 1.00 4.22 H new ATOM 0 HG21 VAL A 28 5.458 -6.225 -1.553 1.00 25.54 H new ATOM 0 HG22 VAL A 28 6.899 -5.887 -0.564 1.00 25.54 H new ATOM 0 HG23 VAL A 28 6.442 -7.568 -0.925 1.00 25.54 H new ATOM 466 N GLN A 29 5.499 -6.571 4.124 1.00 43.11 N ATOM 467 CA GLN A 29 4.698 -6.444 5.353 1.00 41.13 C ATOM 468 C GLN A 29 3.905 -5.136 5.309 1.00 64.22 C ATOM 469 O GLN A 29 4.048 -4.366 4.367 1.00 34.44 O ATOM 470 CB GLN A 29 5.656 -6.464 6.578 1.00 64.33 C ATOM 471 CG GLN A 29 6.465 -7.768 6.725 1.00 11.15 C ATOM 472 CD GLN A 29 5.570 -9.000 6.857 1.00 54.24 C ATOM 473 OE1 GLN A 29 5.179 -9.381 7.958 1.00 23.54 O ATOM 474 NE2 GLN A 29 5.222 -9.623 5.741 1.00 43.55 N ATOM 0 H GLN A 29 6.397 -6.091 4.180 1.00 43.11 H new ATOM 0 HA GLN A 29 3.994 -7.272 5.436 1.00 41.13 H new ATOM 0 HB2 GLN A 29 6.349 -5.627 6.497 1.00 64.33 H new ATOM 0 HB3 GLN A 29 5.072 -6.308 7.485 1.00 64.33 H new ATOM 0 HG2 GLN A 29 7.116 -7.887 5.859 1.00 11.15 H new ATOM 0 HG3 GLN A 29 7.109 -7.695 7.601 1.00 11.15 H new ATOM 0 HE21 GLN A 29 5.562 -9.284 4.841 1.00 43.55 H new ATOM 0 HE22 GLN A 29 4.614 -10.441 5.782 1.00 43.55 H new ATOM 483 N VAL A 30 3.031 -4.915 6.302 1.00 43.44 N ATOM 484 CA VAL A 30 2.368 -3.610 6.517 1.00 50.02 C ATOM 485 C VAL A 30 2.992 -2.929 7.747 1.00 33.30 C ATOM 486 O VAL A 30 3.231 -3.593 8.765 1.00 61.21 O ATOM 487 CB VAL A 30 0.815 -3.773 6.715 1.00 0.14 C ATOM 488 CG1 VAL A 30 0.125 -2.393 6.860 1.00 61.45 C ATOM 489 CG2 VAL A 30 0.191 -4.604 5.560 1.00 44.55 C ATOM 0 H VAL A 30 2.761 -5.629 6.979 1.00 43.44 H new ATOM 0 HA VAL A 30 2.519 -2.993 5.631 1.00 50.02 H new ATOM 0 HB VAL A 30 0.648 -4.322 7.642 1.00 0.14 H new ATOM 0 HG11 VAL A 30 -0.947 -2.535 6.996 1.00 61.45 H new ATOM 0 HG12 VAL A 30 0.534 -1.871 7.725 1.00 61.45 H new ATOM 0 HG13 VAL A 30 0.302 -1.802 5.962 1.00 61.45 H new ATOM 0 HG21 VAL A 30 -0.883 -4.702 5.721 1.00 44.55 H new ATOM 0 HG22 VAL A 30 0.371 -4.100 4.611 1.00 44.55 H new ATOM 0 HG23 VAL A 30 0.646 -5.594 5.537 1.00 44.55 H new ATOM 499 N ARG A 31 3.256 -1.615 7.661 1.00 40.21 N ATOM 500 CA ARG A 31 3.845 -0.839 8.773 1.00 23.41 C ATOM 501 C ARG A 31 2.752 -0.003 9.478 1.00 61.03 C ATOM 502 O ARG A 31 2.563 -0.104 10.696 1.00 74.11 O ATOM 503 CB ARG A 31 4.993 0.067 8.236 1.00 64.12 C ATOM 504 CG ARG A 31 5.713 0.899 9.322 1.00 44.33 C ATOM 505 CD ARG A 31 6.373 0.016 10.405 1.00 62.22 C ATOM 506 NE ARG A 31 6.939 0.807 11.513 1.00 61.44 N ATOM 507 CZ ARG A 31 8.156 0.633 12.053 1.00 72.23 C ATOM 508 NH1 ARG A 31 8.982 -0.311 11.609 1.00 3.33 N ATOM 509 NH2 ARG A 31 8.540 1.413 13.045 1.00 42.32 N ATOM 0 H ARG A 31 3.070 -1.060 6.826 1.00 40.21 H new ATOM 0 HA ARG A 31 4.268 -1.524 9.508 1.00 23.41 H new ATOM 0 HB2 ARG A 31 5.727 -0.560 7.730 1.00 64.12 H new ATOM 0 HB3 ARG A 31 4.584 0.746 7.488 1.00 64.12 H new ATOM 0 HG2 ARG A 31 6.474 1.522 8.852 1.00 44.33 H new ATOM 0 HG3 ARG A 31 4.997 1.572 9.794 1.00 44.33 H new ATOM 0 HD2 ARG A 31 5.634 -0.680 10.801 1.00 62.22 H new ATOM 0 HD3 ARG A 31 7.163 -0.582 9.950 1.00 62.22 H new ATOM 0 HE ARG A 31 6.357 1.549 11.902 1.00 61.44 H new ATOM 0 HH11 ARG A 31 8.695 -0.921 10.843 1.00 3.33 H new ATOM 0 HH12 ARG A 31 9.902 -0.425 12.034 1.00 3.33 H new ATOM 0 HH21 ARG A 31 7.915 2.139 13.394 1.00 42.32 H new ATOM 0 HH22 ARG A 31 9.462 1.290 13.463 1.00 42.32 H new ATOM 523 N ARG A 32 2.028 0.804 8.688 1.00 72.22 N ATOM 524 CA ARG A 32 0.992 1.727 9.182 1.00 70.13 C ATOM 525 C ARG A 32 -0.035 1.979 8.061 1.00 51.35 C ATOM 526 O ARG A 32 0.305 1.943 6.886 1.00 51.51 O ATOM 527 CB ARG A 32 1.654 3.061 9.650 1.00 70.44 C ATOM 528 CG ARG A 32 0.704 4.097 10.299 1.00 32.12 C ATOM 529 CD ARG A 32 -0.024 3.554 11.544 1.00 1.33 C ATOM 530 NE ARG A 32 -0.768 4.605 12.248 1.00 15.03 N ATOM 531 CZ ARG A 32 -1.768 4.408 13.126 1.00 71.44 C ATOM 532 NH1 ARG A 32 -2.196 3.185 13.428 1.00 11.13 N ATOM 533 NH2 ARG A 32 -2.324 5.455 13.723 1.00 34.54 N ATOM 0 H ARG A 32 2.146 0.835 7.675 1.00 72.22 H new ATOM 0 HA ARG A 32 0.476 1.289 10.036 1.00 70.13 H new ATOM 0 HB2 ARG A 32 2.442 2.822 10.364 1.00 70.44 H new ATOM 0 HB3 ARG A 32 2.135 3.527 8.790 1.00 70.44 H new ATOM 0 HG2 ARG A 32 1.277 4.982 10.578 1.00 32.12 H new ATOM 0 HG3 ARG A 32 -0.035 4.414 9.563 1.00 32.12 H new ATOM 0 HD2 ARG A 32 -0.711 2.762 11.246 1.00 1.33 H new ATOM 0 HD3 ARG A 32 0.703 3.107 12.223 1.00 1.33 H new ATOM 0 HE ARG A 32 -0.503 5.571 12.054 1.00 15.03 H new ATOM 0 HH11 ARG A 32 -1.764 2.371 12.991 1.00 11.13 H new ATOM 0 HH12 ARG A 32 -2.956 3.061 14.097 1.00 11.13 H new ATOM 0 HH21 ARG A 32 -1.992 6.397 13.514 1.00 34.54 H new ATOM 0 HH22 ARG A 32 -3.083 5.318 14.391 1.00 34.54 H new ATOM 547 N VAL A 33 -1.299 2.196 8.442 1.00 61.43 N ATOM 548 CA VAL A 33 -2.398 2.518 7.507 1.00 1.45 C ATOM 549 C VAL A 33 -2.995 3.866 7.912 1.00 22.21 C ATOM 550 O VAL A 33 -3.471 4.009 9.042 1.00 64.15 O ATOM 551 CB VAL A 33 -3.518 1.413 7.540 1.00 60.45 C ATOM 552 CG1 VAL A 33 -4.694 1.745 6.587 1.00 11.20 C ATOM 553 CG2 VAL A 33 -2.914 0.035 7.220 1.00 13.33 C ATOM 0 H VAL A 33 -1.597 2.154 9.417 1.00 61.43 H new ATOM 0 HA VAL A 33 -2.002 2.560 6.493 1.00 1.45 H new ATOM 0 HB VAL A 33 -3.931 1.388 8.548 1.00 60.45 H new ATOM 0 HG11 VAL A 33 -5.442 0.955 6.643 1.00 11.20 H new ATOM 0 HG12 VAL A 33 -5.144 2.693 6.881 1.00 11.20 H new ATOM 0 HG13 VAL A 33 -4.323 1.821 5.565 1.00 11.20 H new ATOM 0 HG21 VAL A 33 -3.699 -0.721 7.246 1.00 13.33 H new ATOM 0 HG22 VAL A 33 -2.464 0.057 6.228 1.00 13.33 H new ATOM 0 HG23 VAL A 33 -2.151 -0.208 7.959 1.00 13.33 H new ATOM 563 N GLN A 34 -2.932 4.854 7.014 1.00 2.42 N ATOM 564 CA GLN A 34 -3.460 6.204 7.265 1.00 63.34 C ATOM 565 C GLN A 34 -4.602 6.504 6.286 1.00 11.40 C ATOM 566 O GLN A 34 -4.377 6.654 5.085 1.00 42.54 O ATOM 567 CB GLN A 34 -2.313 7.251 7.140 1.00 34.10 C ATOM 568 CG GLN A 34 -1.202 7.099 8.204 1.00 20.45 C ATOM 569 CD GLN A 34 -1.702 7.300 9.642 1.00 53.32 C ATOM 570 OE1 GLN A 34 -1.711 8.411 10.161 1.00 50.20 O ATOM 571 NE2 GLN A 34 -2.133 6.238 10.299 1.00 35.33 N ATOM 0 H GLN A 34 -2.513 4.743 6.091 1.00 2.42 H new ATOM 0 HA GLN A 34 -3.859 6.261 8.278 1.00 63.34 H new ATOM 0 HB2 GLN A 34 -1.866 7.168 6.149 1.00 34.10 H new ATOM 0 HB3 GLN A 34 -2.739 8.252 7.215 1.00 34.10 H new ATOM 0 HG2 GLN A 34 -0.759 6.107 8.117 1.00 20.45 H new ATOM 0 HG3 GLN A 34 -0.411 7.820 7.998 1.00 20.45 H new ATOM 0 HE21 GLN A 34 -2.118 5.321 9.852 1.00 35.33 H new ATOM 0 HE22 GLN A 34 -2.480 6.335 11.253 1.00 35.33 H new ATOM 580 N LYS A 35 -5.831 6.560 6.821 1.00 54.21 N ATOM 581 CA LYS A 35 -7.042 6.864 6.041 1.00 34.44 C ATOM 582 C LYS A 35 -7.142 8.399 5.937 1.00 21.12 C ATOM 583 O LYS A 35 -7.274 9.077 6.956 1.00 74.20 O ATOM 584 CB LYS A 35 -8.293 6.250 6.766 1.00 31.52 C ATOM 585 CG LYS A 35 -9.518 5.928 5.869 1.00 63.14 C ATOM 586 CD LYS A 35 -10.128 7.149 5.147 1.00 20.03 C ATOM 587 CE LYS A 35 -11.301 6.773 4.230 1.00 2.40 C ATOM 588 NZ LYS A 35 -12.435 6.170 4.975 1.00 75.12 N ATOM 0 H LYS A 35 -6.014 6.395 7.811 1.00 54.21 H new ATOM 0 HA LYS A 35 -7.000 6.433 5.041 1.00 34.44 H new ATOM 0 HB2 LYS A 35 -7.983 5.332 7.264 1.00 31.52 H new ATOM 0 HB3 LYS A 35 -8.612 6.943 7.544 1.00 31.52 H new ATOM 0 HG2 LYS A 35 -9.221 5.192 5.122 1.00 63.14 H new ATOM 0 HG3 LYS A 35 -10.289 5.464 6.484 1.00 63.14 H new ATOM 0 HD2 LYS A 35 -10.470 7.871 5.889 1.00 20.03 H new ATOM 0 HD3 LYS A 35 -9.354 7.640 4.557 1.00 20.03 H new ATOM 0 HE2 LYS A 35 -11.648 7.663 3.705 1.00 2.40 H new ATOM 0 HE3 LYS A 35 -10.954 6.071 3.472 1.00 2.40 H new ATOM 0 HZ1 LYS A 35 -13.232 6.012 4.326 1.00 75.12 H new ATOM 0 HZ2 LYS A 35 -12.137 5.262 5.385 1.00 75.12 H new ATOM 0 HZ3 LYS A 35 -12.731 6.813 5.737 1.00 75.12 H new ATOM 602 N GLN A 36 -7.071 8.937 4.710 1.00 0.14 N ATOM 603 CA GLN A 36 -7.117 10.388 4.472 1.00 51.52 C ATOM 604 C GLN A 36 -8.152 10.683 3.362 1.00 64.41 C ATOM 605 O GLN A 36 -7.815 10.663 2.179 1.00 0.01 O ATOM 606 CB GLN A 36 -5.681 10.910 4.097 1.00 11.41 C ATOM 607 CG GLN A 36 -5.375 12.389 4.442 1.00 14.24 C ATOM 608 CD GLN A 36 -6.334 13.411 3.821 1.00 45.11 C ATOM 609 OE1 GLN A 36 -6.133 13.879 2.698 1.00 71.41 O ATOM 610 NE2 GLN A 36 -7.387 13.759 4.546 1.00 62.25 N ATOM 0 H GLN A 36 -6.981 8.382 3.859 1.00 0.14 H new ATOM 0 HA GLN A 36 -7.429 10.915 5.374 1.00 51.52 H new ATOM 0 HB2 GLN A 36 -4.947 10.282 4.602 1.00 11.41 H new ATOM 0 HB3 GLN A 36 -5.536 10.772 3.026 1.00 11.41 H new ATOM 0 HG2 GLN A 36 -5.396 12.505 5.526 1.00 14.24 H new ATOM 0 HG3 GLN A 36 -4.361 12.620 4.116 1.00 14.24 H new ATOM 0 HE21 GLN A 36 -7.525 13.354 5.472 1.00 62.25 H new ATOM 0 HE22 GLN A 36 -8.059 14.432 4.178 1.00 62.25 H new ATOM 619 N GLY A 37 -9.413 10.903 3.773 1.00 41.51 N ATOM 620 CA GLY A 37 -10.488 11.334 2.870 1.00 13.12 C ATOM 621 C GLY A 37 -10.908 10.263 1.873 1.00 74.12 C ATOM 622 O GLY A 37 -11.490 9.252 2.256 1.00 64.13 O ATOM 0 H GLY A 37 -9.713 10.786 4.741 1.00 41.51 H new ATOM 0 HA2 GLY A 37 -11.354 11.627 3.463 1.00 13.12 H new ATOM 0 HA3 GLY A 37 -10.161 12.219 2.324 1.00 13.12 H new ATOM 626 N ASN A 38 -10.611 10.492 0.586 1.00 2.44 N ATOM 627 CA ASN A 38 -10.902 9.529 -0.498 1.00 12.13 C ATOM 628 C ASN A 38 -9.672 8.678 -0.835 1.00 64.34 C ATOM 629 O ASN A 38 -9.742 7.832 -1.708 1.00 41.42 O ATOM 630 CB ASN A 38 -11.424 10.264 -1.770 1.00 73.42 C ATOM 631 CG ASN A 38 -12.841 10.824 -1.607 1.00 32.04 C ATOM 632 OD1 ASN A 38 -13.832 10.121 -1.833 1.00 42.31 O ATOM 633 ND2 ASN A 38 -12.959 12.083 -1.227 1.00 51.22 N ATOM 0 H ASN A 38 -10.162 11.349 0.262 1.00 2.44 H new ATOM 0 HA ASN A 38 -11.685 8.860 -0.141 1.00 12.13 H new ATOM 0 HB2 ASN A 38 -10.744 11.080 -2.014 1.00 73.42 H new ATOM 0 HB3 ASN A 38 -11.408 9.573 -2.613 1.00 73.42 H new ATOM 0 HD21 ASN A 38 -13.884 12.497 -1.114 1.00 51.22 H new ATOM 0 HD22 ASN A 38 -12.125 12.642 -1.047 1.00 51.22 H new ATOM 640 N THR A 39 -8.553 8.886 -0.125 1.00 61.13 N ATOM 641 CA THR A 39 -7.280 8.197 -0.400 1.00 71.30 C ATOM 642 C THR A 39 -6.695 7.621 0.902 1.00 2.51 C ATOM 643 O THR A 39 -6.233 8.373 1.769 1.00 20.30 O ATOM 644 CB THR A 39 -6.245 9.177 -1.054 1.00 13.15 C ATOM 645 OG1 THR A 39 -6.845 9.853 -2.174 1.00 43.24 O ATOM 646 CG2 THR A 39 -4.961 8.459 -1.516 1.00 11.42 C ATOM 0 H THR A 39 -8.504 9.538 0.658 1.00 61.13 H new ATOM 0 HA THR A 39 -7.479 7.383 -1.097 1.00 71.30 H new ATOM 0 HB THR A 39 -5.962 9.898 -0.287 1.00 13.15 H new ATOM 0 HG1 THR A 39 -6.192 10.464 -2.575 1.00 43.24 H new ATOM 0 HG21 THR A 39 -4.279 9.184 -1.961 1.00 11.42 H new ATOM 0 HG22 THR A 39 -4.480 7.987 -0.659 1.00 11.42 H new ATOM 0 HG23 THR A 39 -5.215 7.699 -2.254 1.00 11.42 H new ATOM 654 N ILE A 40 -6.744 6.293 1.047 1.00 4.12 N ATOM 655 CA ILE A 40 -6.076 5.596 2.152 1.00 33.31 C ATOM 656 C ILE A 40 -4.598 5.373 1.768 1.00 12.02 C ATOM 657 O ILE A 40 -4.290 4.555 0.891 1.00 44.54 O ATOM 658 CB ILE A 40 -6.759 4.212 2.477 1.00 3.44 C ATOM 659 CG1 ILE A 40 -8.293 4.395 2.700 1.00 71.45 C ATOM 660 CG2 ILE A 40 -6.093 3.543 3.707 1.00 62.31 C ATOM 661 CD1 ILE A 40 -9.058 3.125 3.068 1.00 32.12 C ATOM 0 H ILE A 40 -7.243 5.675 0.408 1.00 4.12 H new ATOM 0 HA ILE A 40 -6.154 6.212 3.048 1.00 33.31 H new ATOM 0 HB ILE A 40 -6.618 3.552 1.621 1.00 3.44 H new ATOM 0 HG12 ILE A 40 -8.443 5.131 3.490 1.00 71.45 H new ATOM 0 HG13 ILE A 40 -8.728 4.810 1.791 1.00 71.45 H new ATOM 0 HG21 ILE A 40 -6.581 2.590 3.912 1.00 62.31 H new ATOM 0 HG22 ILE A 40 -5.036 3.373 3.501 1.00 62.31 H new ATOM 0 HG23 ILE A 40 -6.193 4.195 4.574 1.00 62.31 H new ATOM 0 HD11 ILE A 40 -10.114 3.362 3.201 1.00 32.12 H new ATOM 0 HD12 ILE A 40 -8.948 2.390 2.270 1.00 32.12 H new ATOM 0 HD13 ILE A 40 -8.659 2.716 3.996 1.00 32.12 H new ATOM 673 N ARG A 41 -3.703 6.130 2.405 1.00 11.30 N ATOM 674 CA ARG A 41 -2.259 5.993 2.225 1.00 22.42 C ATOM 675 C ARG A 41 -1.735 4.915 3.186 1.00 71.24 C ATOM 676 O ARG A 41 -1.480 5.181 4.369 1.00 34.32 O ATOM 677 CB ARG A 41 -1.566 7.356 2.478 1.00 35.54 C ATOM 678 CG ARG A 41 -1.883 8.450 1.431 1.00 75.11 C ATOM 679 CD ARG A 41 -1.126 9.770 1.708 1.00 30.01 C ATOM 680 NE ARG A 41 -1.202 10.721 0.576 1.00 30.31 N ATOM 681 CZ ARG A 41 -0.725 11.982 0.590 1.00 71.23 C ATOM 682 NH1 ARG A 41 -0.136 12.484 1.681 1.00 34.41 N ATOM 683 NH2 ARG A 41 -0.809 12.727 -0.506 1.00 73.33 N ATOM 0 H ARG A 41 -3.964 6.862 3.066 1.00 11.30 H new ATOM 0 HA ARG A 41 -2.035 5.689 1.203 1.00 22.42 H new ATOM 0 HB2 ARG A 41 -1.860 7.720 3.463 1.00 35.54 H new ATOM 0 HB3 ARG A 41 -0.488 7.200 2.504 1.00 35.54 H new ATOM 0 HG2 ARG A 41 -1.620 8.085 0.438 1.00 75.11 H new ATOM 0 HG3 ARG A 41 -2.956 8.644 1.426 1.00 75.11 H new ATOM 0 HD2 ARG A 41 -1.539 10.240 2.600 1.00 30.01 H new ATOM 0 HD3 ARG A 41 -0.080 9.547 1.920 1.00 30.01 H new ATOM 0 HE ARG A 41 -1.650 10.397 -0.281 1.00 30.31 H new ATOM 0 HH11 ARG A 41 -0.042 11.911 2.519 1.00 34.41 H new ATOM 0 HH12 ARG A 41 0.219 13.440 1.674 1.00 34.41 H new ATOM 0 HH21 ARG A 41 -1.232 12.344 -1.351 1.00 73.33 H new ATOM 0 HH22 ARG A 41 -0.450 13.682 -0.502 1.00 73.33 H new ATOM 697 N VAL A 42 -1.620 3.688 2.668 1.00 21.13 N ATOM 698 CA VAL A 42 -1.083 2.548 3.413 1.00 64.43 C ATOM 699 C VAL A 42 0.435 2.535 3.263 1.00 60.32 C ATOM 700 O VAL A 42 0.959 2.377 2.160 1.00 43.34 O ATOM 701 CB VAL A 42 -1.686 1.182 2.918 1.00 54.43 C ATOM 702 CG1 VAL A 42 -1.126 -0.021 3.711 1.00 52.40 C ATOM 703 CG2 VAL A 42 -3.218 1.202 3.001 1.00 4.13 C ATOM 0 H VAL A 42 -1.899 3.458 1.714 1.00 21.13 H new ATOM 0 HA VAL A 42 -1.361 2.660 4.461 1.00 64.43 H new ATOM 0 HB VAL A 42 -1.387 1.060 1.877 1.00 54.43 H new ATOM 0 HG11 VAL A 42 -1.570 -0.943 3.335 1.00 52.40 H new ATOM 0 HG12 VAL A 42 -0.044 -0.064 3.590 1.00 52.40 H new ATOM 0 HG13 VAL A 42 -1.369 0.095 4.767 1.00 52.40 H new ATOM 0 HG21 VAL A 42 -3.614 0.248 2.654 1.00 4.13 H new ATOM 0 HG22 VAL A 42 -3.524 1.368 4.034 1.00 4.13 H new ATOM 0 HG23 VAL A 42 -3.606 2.005 2.374 1.00 4.13 H new ATOM 713 N GLU A 43 1.121 2.768 4.372 1.00 44.32 N ATOM 714 CA GLU A 43 2.579 2.686 4.467 1.00 60.30 C ATOM 715 C GLU A 43 2.966 1.235 4.783 1.00 42.53 C ATOM 716 O GLU A 43 2.769 0.771 5.901 1.00 11.12 O ATOM 717 CB GLU A 43 3.065 3.651 5.578 1.00 64.31 C ATOM 718 CG GLU A 43 2.552 5.090 5.390 1.00 1.33 C ATOM 719 CD GLU A 43 2.988 6.033 6.510 1.00 42.40 C ATOM 720 OE1 GLU A 43 2.329 6.050 7.569 1.00 3.03 O ATOM 721 OE2 GLU A 43 3.988 6.757 6.339 1.00 4.15 O ATOM 0 H GLU A 43 0.674 3.025 5.252 1.00 44.32 H new ATOM 0 HA GLU A 43 3.050 2.978 3.528 1.00 60.30 H new ATOM 0 HB2 GLU A 43 2.735 3.277 6.547 1.00 64.31 H new ATOM 0 HB3 GLU A 43 4.155 3.659 5.594 1.00 64.31 H new ATOM 0 HG2 GLU A 43 2.913 5.476 4.437 1.00 1.33 H new ATOM 0 HG3 GLU A 43 1.463 5.077 5.337 1.00 1.33 H new ATOM 728 N LEU A 44 3.465 0.502 3.791 1.00 25.40 N ATOM 729 CA LEU A 44 3.884 -0.898 3.977 1.00 52.43 C ATOM 730 C LEU A 44 5.386 -0.959 4.204 1.00 3.42 C ATOM 731 O LEU A 44 6.087 0.021 3.979 1.00 3.25 O ATOM 732 CB LEU A 44 3.486 -1.775 2.762 1.00 20.33 C ATOM 733 CG LEU A 44 1.960 -1.791 2.407 1.00 52.50 C ATOM 734 CD1 LEU A 44 1.605 -0.663 1.431 1.00 52.24 C ATOM 735 CD2 LEU A 44 1.505 -3.151 1.857 1.00 52.14 C ATOM 0 H LEU A 44 3.592 0.851 2.841 1.00 25.40 H new ATOM 0 HA LEU A 44 3.370 -1.295 4.852 1.00 52.43 H new ATOM 0 HB2 LEU A 44 4.040 -1.428 1.890 1.00 20.33 H new ATOM 0 HB3 LEU A 44 3.806 -2.799 2.956 1.00 20.33 H new ATOM 0 HG LEU A 44 1.419 -1.622 3.338 1.00 52.50 H new ATOM 0 HD11 LEU A 44 0.540 -0.700 1.204 1.00 52.24 H new ATOM 0 HD12 LEU A 44 1.846 0.299 1.883 1.00 52.24 H new ATOM 0 HD13 LEU A 44 2.177 -0.785 0.511 1.00 52.24 H new ATOM 0 HD21 LEU A 44 0.441 -3.112 1.626 1.00 52.14 H new ATOM 0 HD22 LEU A 44 2.065 -3.383 0.951 1.00 52.14 H new ATOM 0 HD23 LEU A 44 1.686 -3.924 2.603 1.00 52.14 H new ATOM 747 N GLU A 45 5.870 -2.107 4.671 1.00 72.42 N ATOM 748 CA GLU A 45 7.289 -2.316 4.948 1.00 55.43 C ATOM 749 C GLU A 45 7.847 -3.415 4.030 1.00 62.14 C ATOM 750 O GLU A 45 7.593 -4.599 4.231 1.00 3.40 O ATOM 751 CB GLU A 45 7.457 -2.663 6.443 1.00 23.44 C ATOM 752 CG GLU A 45 8.921 -2.762 6.917 1.00 13.13 C ATOM 753 CD GLU A 45 9.046 -2.687 8.443 1.00 14.53 C ATOM 754 OE1 GLU A 45 9.160 -3.737 9.103 1.00 32.14 O ATOM 755 OE2 GLU A 45 9.026 -1.565 8.989 1.00 55.02 O ATOM 0 H GLU A 45 5.288 -2.921 4.869 1.00 72.42 H new ATOM 0 HA GLU A 45 7.857 -1.409 4.742 1.00 55.43 H new ATOM 0 HB2 GLU A 45 6.946 -1.906 7.038 1.00 23.44 H new ATOM 0 HB3 GLU A 45 6.960 -3.613 6.640 1.00 23.44 H new ATOM 0 HG2 GLU A 45 9.352 -3.700 6.565 1.00 13.13 H new ATOM 0 HG3 GLU A 45 9.501 -1.956 6.467 1.00 13.13 H new ATOM 762 N LEU A 46 8.608 -2.993 3.019 1.00 22.41 N ATOM 763 CA LEU A 46 9.271 -3.878 2.056 1.00 64.01 C ATOM 764 C LEU A 46 10.771 -3.852 2.384 1.00 60.20 C ATOM 765 O LEU A 46 11.369 -2.771 2.507 1.00 1.44 O ATOM 766 CB LEU A 46 8.962 -3.382 0.602 1.00 73.40 C ATOM 767 CG LEU A 46 9.307 -4.333 -0.607 1.00 32.21 C ATOM 768 CD1 LEU A 46 8.576 -3.885 -1.894 1.00 14.22 C ATOM 769 CD2 LEU A 46 10.820 -4.418 -0.886 1.00 30.44 C ATOM 0 H LEU A 46 8.785 -2.004 2.842 1.00 22.41 H new ATOM 0 HA LEU A 46 8.912 -4.905 2.119 1.00 64.01 H new ATOM 0 HB2 LEU A 46 7.898 -3.152 0.549 1.00 73.40 H new ATOM 0 HB3 LEU A 46 9.498 -2.445 0.450 1.00 73.40 H new ATOM 0 HG LEU A 46 8.963 -5.325 -0.315 1.00 32.21 H new ATOM 0 HD11 LEU A 46 8.833 -4.559 -2.711 1.00 14.22 H new ATOM 0 HD12 LEU A 46 7.499 -3.909 -1.728 1.00 14.22 H new ATOM 0 HD13 LEU A 46 8.881 -2.870 -2.151 1.00 14.22 H new ATOM 0 HD21 LEU A 46 10.998 -5.087 -1.728 1.00 30.44 H new ATOM 0 HD22 LEU A 46 11.202 -3.425 -1.124 1.00 30.44 H new ATOM 0 HD23 LEU A 46 11.332 -4.802 -0.004 1.00 30.44 H new ATOM 781 N ARG A 47 11.377 -5.040 2.519 1.00 61.41 N ATOM 782 CA ARG A 47 12.800 -5.174 2.868 1.00 14.24 C ATOM 783 C ARG A 47 13.592 -5.452 1.583 1.00 41.25 C ATOM 784 O ARG A 47 13.564 -6.562 1.043 1.00 34.43 O ATOM 785 CB ARG A 47 12.987 -6.293 3.929 1.00 44.44 C ATOM 786 CG ARG A 47 12.349 -5.964 5.303 1.00 45.41 C ATOM 787 CD ARG A 47 12.441 -7.134 6.298 1.00 35.41 C ATOM 788 NE ARG A 47 11.638 -8.297 5.860 1.00 31.42 N ATOM 789 CZ ARG A 47 12.044 -9.579 5.885 1.00 52.43 C ATOM 790 NH1 ARG A 47 13.260 -9.906 6.321 1.00 13.24 N ATOM 791 NH2 ARG A 47 11.226 -10.538 5.465 1.00 51.34 N ATOM 0 H ARG A 47 10.898 -5.931 2.390 1.00 61.41 H new ATOM 0 HA ARG A 47 13.176 -4.253 3.313 1.00 14.24 H new ATOM 0 HB2 ARG A 47 12.552 -7.218 3.549 1.00 44.44 H new ATOM 0 HB3 ARG A 47 14.053 -6.475 4.068 1.00 44.44 H new ATOM 0 HG2 ARG A 47 12.844 -5.091 5.729 1.00 45.41 H new ATOM 0 HG3 ARG A 47 11.302 -5.698 5.158 1.00 45.41 H new ATOM 0 HD2 ARG A 47 13.483 -7.434 6.410 1.00 35.41 H new ATOM 0 HD3 ARG A 47 12.097 -6.804 7.278 1.00 35.41 H new ATOM 0 HE ARG A 47 10.698 -8.111 5.510 1.00 31.42 H new ATOM 0 HH11 ARG A 47 13.899 -9.179 6.643 1.00 13.24 H new ATOM 0 HH12 ARG A 47 13.552 -10.883 6.333 1.00 13.24 H new ATOM 0 HH21 ARG A 47 10.294 -10.301 5.125 1.00 51.34 H new ATOM 0 HH22 ARG A 47 11.530 -11.511 5.482 1.00 51.34 H new ATOM 805 N THR A 48 14.250 -4.396 1.085 1.00 23.02 N ATOM 806 CA THR A 48 14.998 -4.405 -0.176 1.00 31.30 C ATOM 807 C THR A 48 16.489 -4.702 0.105 1.00 51.31 C ATOM 808 O THR A 48 17.186 -3.851 0.658 1.00 62.41 O ATOM 809 CB THR A 48 14.859 -3.011 -0.877 1.00 41.13 C ATOM 810 OG1 THR A 48 13.476 -2.632 -0.973 1.00 23.32 O ATOM 811 CG2 THR A 48 15.489 -2.998 -2.274 1.00 53.10 C ATOM 0 H THR A 48 14.277 -3.493 1.559 1.00 23.02 H new ATOM 0 HA THR A 48 14.596 -5.179 -0.830 1.00 31.30 H new ATOM 0 HB THR A 48 15.397 -2.292 -0.259 1.00 41.13 H new ATOM 0 HG1 THR A 48 13.379 -1.686 -0.736 1.00 23.32 H new ATOM 0 HG21 THR A 48 15.367 -2.010 -2.719 1.00 53.10 H new ATOM 0 HG22 THR A 48 16.551 -3.233 -2.197 1.00 53.10 H new ATOM 0 HG23 THR A 48 14.998 -3.742 -2.902 1.00 53.10 H new ATOM 819 N ASN A 49 16.953 -5.925 -0.242 1.00 74.43 N ATOM 820 CA ASN A 49 18.363 -6.367 -0.053 1.00 42.34 C ATOM 821 C ASN A 49 18.779 -6.361 1.437 1.00 73.14 C ATOM 822 O ASN A 49 19.962 -6.229 1.761 1.00 64.35 O ATOM 823 CB ASN A 49 19.343 -5.510 -0.923 1.00 4.04 C ATOM 824 CG ASN A 49 19.163 -5.728 -2.424 1.00 51.14 C ATOM 825 OD1 ASN A 49 18.350 -4.911 -3.065 1.00 50.21 O flip ATOM 826 ND2 ASN A 49 19.772 -6.630 -3.012 1.00 41.05 N flip ATOM 0 H ASN A 49 16.360 -6.640 -0.664 1.00 74.43 H new ATOM 0 HA ASN A 49 18.426 -7.400 -0.395 1.00 42.34 H new ATOM 0 HB2 ASN A 49 19.193 -4.455 -0.695 1.00 4.04 H new ATOM 0 HB3 ASN A 49 20.369 -5.752 -0.648 1.00 4.04 H new ATOM 0 HD21 ASN A 49 20.395 -7.248 -2.492 1.00 41.05 H new ATOM 0 HD22 ASN A 49 19.651 -6.756 -4.017 1.00 41.05 H new ATOM 833 N GLY A 50 17.788 -6.546 2.330 1.00 40.54 N ATOM 834 CA GLY A 50 18.015 -6.536 3.780 1.00 40.05 C ATOM 835 C GLY A 50 17.693 -5.191 4.424 1.00 34.13 C ATOM 836 O GLY A 50 17.489 -5.118 5.640 1.00 51.21 O ATOM 0 H GLY A 50 16.816 -6.705 2.065 1.00 40.54 H new ATOM 0 HA2 GLY A 50 17.403 -7.310 4.243 1.00 40.05 H new ATOM 0 HA3 GLY A 50 19.056 -6.789 3.981 1.00 40.05 H new ATOM 840 N LYS A 51 17.652 -4.117 3.607 1.00 63.03 N ATOM 841 CA LYS A 51 17.311 -2.762 4.081 1.00 74.22 C ATOM 842 C LYS A 51 15.802 -2.685 4.354 1.00 72.23 C ATOM 843 O LYS A 51 14.998 -2.950 3.461 1.00 3.04 O ATOM 844 CB LYS A 51 17.691 -1.697 3.015 1.00 3.51 C ATOM 845 CG LYS A 51 19.166 -1.741 2.548 1.00 62.44 C ATOM 846 CD LYS A 51 19.450 -0.738 1.400 1.00 55.12 C ATOM 847 CE LYS A 51 18.560 -0.981 0.163 1.00 21.33 C ATOM 848 NZ LYS A 51 18.922 -0.099 -0.978 1.00 45.22 N ATOM 0 H LYS A 51 17.853 -4.165 2.608 1.00 63.03 H new ATOM 0 HA LYS A 51 17.870 -2.560 4.995 1.00 74.22 H new ATOM 0 HB2 LYS A 51 17.046 -1.827 2.146 1.00 3.51 H new ATOM 0 HB3 LYS A 51 17.483 -0.707 3.421 1.00 3.51 H new ATOM 0 HG2 LYS A 51 19.819 -1.518 3.392 1.00 62.44 H new ATOM 0 HG3 LYS A 51 19.409 -2.750 2.215 1.00 62.44 H new ATOM 0 HD2 LYS A 51 19.291 0.278 1.763 1.00 55.12 H new ATOM 0 HD3 LYS A 51 20.498 -0.812 1.109 1.00 55.12 H new ATOM 0 HE2 LYS A 51 18.647 -2.023 -0.145 1.00 21.33 H new ATOM 0 HE3 LYS A 51 17.517 -0.814 0.431 1.00 21.33 H new ATOM 0 HZ1 LYS A 51 18.296 -0.300 -1.784 1.00 45.22 H new ATOM 0 HZ2 LYS A 51 18.814 0.896 -0.695 1.00 45.22 H new ATOM 0 HZ3 LYS A 51 19.909 -0.275 -1.254 1.00 45.22 H new ATOM 862 N LYS A 52 15.437 -2.298 5.573 1.00 64.02 N ATOM 863 CA LYS A 52 14.040 -2.134 5.983 1.00 21.23 C ATOM 864 C LYS A 52 13.552 -0.754 5.516 1.00 72.30 C ATOM 865 O LYS A 52 14.035 0.275 6.004 1.00 54.11 O ATOM 866 CB LYS A 52 13.946 -2.270 7.518 1.00 4.32 C ATOM 867 CG LYS A 52 12.531 -2.132 8.105 1.00 1.40 C ATOM 868 CD LYS A 52 12.526 -2.235 9.646 1.00 63.25 C ATOM 869 CE LYS A 52 12.976 -3.614 10.160 1.00 2.41 C ATOM 870 NZ LYS A 52 13.094 -3.639 11.645 1.00 12.02 N ATOM 0 H LYS A 52 16.107 -2.087 6.313 1.00 64.02 H new ATOM 0 HA LYS A 52 13.409 -2.900 5.533 1.00 21.23 H new ATOM 0 HB2 LYS A 52 14.347 -3.242 7.805 1.00 4.32 H new ATOM 0 HB3 LYS A 52 14.586 -1.514 7.973 1.00 4.32 H new ATOM 0 HG2 LYS A 52 12.107 -1.174 7.805 1.00 1.40 H new ATOM 0 HG3 LYS A 52 11.889 -2.909 7.689 1.00 1.40 H new ATOM 0 HD2 LYS A 52 13.183 -1.468 10.058 1.00 63.25 H new ATOM 0 HD3 LYS A 52 11.522 -2.026 10.015 1.00 63.25 H new ATOM 0 HE2 LYS A 52 12.262 -4.372 9.839 1.00 2.41 H new ATOM 0 HE3 LYS A 52 13.937 -3.872 9.715 1.00 2.41 H new ATOM 0 HZ1 LYS A 52 13.399 -4.584 11.953 1.00 12.02 H new ATOM 0 HZ2 LYS A 52 13.794 -2.933 11.950 1.00 12.02 H new ATOM 0 HZ3 LYS A 52 12.171 -3.417 12.070 1.00 12.02 H new ATOM 884 N GLU A 53 12.641 -0.741 4.534 1.00 45.10 N ATOM 885 CA GLU A 53 12.114 0.503 3.937 1.00 75.13 C ATOM 886 C GLU A 53 10.582 0.508 3.992 1.00 11.30 C ATOM 887 O GLU A 53 9.943 -0.539 3.867 1.00 22.45 O ATOM 888 CB GLU A 53 12.597 0.656 2.470 1.00 5.20 C ATOM 889 CG GLU A 53 14.122 0.520 2.291 1.00 1.42 C ATOM 890 CD GLU A 53 14.601 0.912 0.891 1.00 21.32 C ATOM 891 OE1 GLU A 53 14.417 0.133 -0.057 1.00 41.34 O ATOM 892 OE2 GLU A 53 15.168 2.014 0.734 1.00 13.51 O ATOM 0 H GLU A 53 12.246 -1.589 4.128 1.00 45.10 H new ATOM 0 HA GLU A 53 12.492 1.348 4.513 1.00 75.13 H new ATOM 0 HB2 GLU A 53 12.102 -0.096 1.856 1.00 5.20 H new ATOM 0 HB3 GLU A 53 12.284 1.631 2.096 1.00 5.20 H new ATOM 0 HG2 GLU A 53 14.625 1.145 3.029 1.00 1.42 H new ATOM 0 HG3 GLU A 53 14.415 -0.510 2.493 1.00 1.42 H new ATOM 899 N ASN A 54 10.000 1.701 4.186 1.00 43.33 N ATOM 900 CA ASN A 54 8.543 1.892 4.206 1.00 1.10 C ATOM 901 C ASN A 54 8.108 2.628 2.934 1.00 41.34 C ATOM 902 O ASN A 54 8.713 3.630 2.565 1.00 52.54 O ATOM 903 CB ASN A 54 8.112 2.668 5.484 1.00 41.12 C ATOM 904 CG ASN A 54 8.442 1.933 6.795 1.00 3.53 C ATOM 905 OD1 ASN A 54 8.299 0.616 6.825 1.00 3.54 O flip ATOM 906 ND2 ASN A 54 8.795 2.556 7.795 1.00 32.34 N flip ATOM 0 H ASN A 54 10.528 2.561 4.334 1.00 43.33 H new ATOM 0 HA ASN A 54 8.050 0.920 4.231 1.00 1.10 H new ATOM 0 HB2 ASN A 54 8.603 3.641 5.490 1.00 41.12 H new ATOM 0 HB3 ASN A 54 7.039 2.852 5.442 1.00 41.12 H new ATOM 0 HD21 ASN A 54 8.900 3.570 7.754 1.00 32.34 H new ATOM 0 HD22 ASN A 54 8.983 2.059 8.666 1.00 32.34 H new ATOM 913 N TYR A 55 7.095 2.096 2.237 1.00 32.10 N ATOM 914 CA TYR A 55 6.551 2.692 1.010 1.00 32.31 C ATOM 915 C TYR A 55 5.113 3.154 1.277 1.00 64.42 C ATOM 916 O TYR A 55 4.250 2.334 1.607 1.00 40.42 O ATOM 917 CB TYR A 55 6.579 1.649 -0.139 1.00 42.15 C ATOM 918 CG TYR A 55 7.993 1.201 -0.565 1.00 15.55 C ATOM 919 CD1 TYR A 55 8.563 1.650 -1.761 1.00 54.33 C ATOM 920 CD2 TYR A 55 8.761 0.339 0.228 1.00 42.11 C ATOM 921 CE1 TYR A 55 9.831 1.250 -2.148 1.00 20.21 C ATOM 922 CE2 TYR A 55 10.029 -0.059 -0.157 1.00 73.14 C ATOM 923 CZ TYR A 55 10.562 0.398 -1.343 1.00 14.14 C ATOM 924 OH TYR A 55 11.831 0.009 -1.725 1.00 32.21 O ATOM 0 H TYR A 55 6.626 1.233 2.511 1.00 32.10 H new ATOM 0 HA TYR A 55 7.156 3.548 0.713 1.00 32.31 H new ATOM 0 HB2 TYR A 55 6.012 0.771 0.171 1.00 42.15 H new ATOM 0 HB3 TYR A 55 6.068 2.069 -1.006 1.00 42.15 H new ATOM 0 HD1 TYR A 55 8.003 2.322 -2.395 1.00 54.33 H new ATOM 0 HD2 TYR A 55 8.354 -0.023 1.161 1.00 42.11 H new ATOM 0 HE1 TYR A 55 10.248 1.604 -3.079 1.00 20.21 H new ATOM 0 HE2 TYR A 55 10.600 -0.727 0.471 1.00 73.14 H new ATOM 0 HH TYR A 55 12.451 0.136 -0.977 1.00 32.21 H new ATOM 934 N THR A 56 4.869 4.460 1.133 1.00 4.42 N ATOM 935 CA THR A 56 3.538 5.049 1.271 1.00 33.13 C ATOM 936 C THR A 56 2.786 4.903 -0.064 1.00 2.13 C ATOM 937 O THR A 56 3.044 5.632 -1.029 1.00 33.33 O ATOM 938 CB THR A 56 3.643 6.556 1.679 1.00 4.34 C ATOM 939 OG1 THR A 56 4.472 6.689 2.854 1.00 30.20 O ATOM 940 CG2 THR A 56 2.265 7.186 1.951 1.00 34.34 C ATOM 0 H THR A 56 5.596 5.141 0.916 1.00 4.42 H new ATOM 0 HA THR A 56 2.990 4.528 2.056 1.00 33.13 H new ATOM 0 HB THR A 56 4.090 7.088 0.839 1.00 4.34 H new ATOM 0 HG1 THR A 56 4.536 7.634 3.104 1.00 30.20 H new ATOM 0 HG21 THR A 56 2.392 8.232 2.230 1.00 34.34 H new ATOM 0 HG22 THR A 56 1.652 7.122 1.052 1.00 34.34 H new ATOM 0 HG23 THR A 56 1.774 6.650 2.764 1.00 34.34 H new ATOM 948 N VAL A 57 1.893 3.915 -0.108 1.00 24.05 N ATOM 949 CA VAL A 57 1.066 3.618 -1.277 1.00 41.33 C ATOM 950 C VAL A 57 -0.289 4.318 -1.129 1.00 10.10 C ATOM 951 O VAL A 57 -1.093 3.968 -0.254 1.00 13.54 O ATOM 952 CB VAL A 57 0.857 2.069 -1.454 1.00 72.50 C ATOM 953 CG1 VAL A 57 0.043 1.751 -2.730 1.00 55.32 C ATOM 954 CG2 VAL A 57 2.214 1.326 -1.454 1.00 70.22 C ATOM 0 H VAL A 57 1.721 3.289 0.679 1.00 24.05 H new ATOM 0 HA VAL A 57 1.578 3.986 -2.166 1.00 41.33 H new ATOM 0 HB VAL A 57 0.279 1.712 -0.602 1.00 72.50 H new ATOM 0 HG11 VAL A 57 -0.083 0.672 -2.822 1.00 55.32 H new ATOM 0 HG12 VAL A 57 -0.936 2.226 -2.665 1.00 55.32 H new ATOM 0 HG13 VAL A 57 0.573 2.130 -3.604 1.00 55.32 H new ATOM 0 HG21 VAL A 57 2.043 0.257 -1.578 1.00 70.22 H new ATOM 0 HG22 VAL A 57 2.830 1.693 -2.275 1.00 70.22 H new ATOM 0 HG23 VAL A 57 2.727 1.505 -0.509 1.00 70.22 H new ATOM 964 N GLU A 58 -0.500 5.332 -1.968 1.00 44.35 N ATOM 965 CA GLU A 58 -1.750 6.093 -2.034 1.00 2.23 C ATOM 966 C GLU A 58 -2.790 5.283 -2.821 1.00 51.43 C ATOM 967 O GLU A 58 -2.668 5.138 -4.037 1.00 4.01 O ATOM 968 CB GLU A 58 -1.497 7.454 -2.735 1.00 22.14 C ATOM 969 CG GLU A 58 -0.408 8.325 -2.082 1.00 70.10 C ATOM 970 CD GLU A 58 -0.250 9.680 -2.782 1.00 13.13 C ATOM 971 OE1 GLU A 58 0.635 9.821 -3.655 1.00 1.05 O ATOM 972 OE2 GLU A 58 -1.040 10.609 -2.482 1.00 50.44 O ATOM 0 H GLU A 58 0.204 5.654 -2.632 1.00 44.35 H new ATOM 0 HA GLU A 58 -2.122 6.279 -1.026 1.00 2.23 H new ATOM 0 HB2 GLU A 58 -1.219 7.266 -3.772 1.00 22.14 H new ATOM 0 HB3 GLU A 58 -2.430 8.017 -2.752 1.00 22.14 H new ATOM 0 HG2 GLU A 58 -0.656 8.487 -1.033 1.00 70.10 H new ATOM 0 HG3 GLU A 58 0.543 7.793 -2.106 1.00 70.10 H new ATOM 979 N VAL A 59 -3.774 4.718 -2.116 1.00 50.03 N ATOM 980 CA VAL A 59 -4.869 3.947 -2.729 1.00 31.55 C ATOM 981 C VAL A 59 -6.182 4.737 -2.562 1.00 55.10 C ATOM 982 O VAL A 59 -6.655 4.937 -1.444 1.00 4.41 O ATOM 983 CB VAL A 59 -4.993 2.522 -2.077 1.00 11.04 C ATOM 984 CG1 VAL A 59 -6.064 1.679 -2.794 1.00 42.33 C ATOM 985 CG2 VAL A 59 -3.631 1.790 -2.060 1.00 73.42 C ATOM 0 H VAL A 59 -3.837 4.780 -1.100 1.00 50.03 H new ATOM 0 HA VAL A 59 -4.658 3.801 -3.788 1.00 31.55 H new ATOM 0 HB VAL A 59 -5.308 2.658 -1.042 1.00 11.04 H new ATOM 0 HG11 VAL A 59 -6.130 0.698 -2.324 1.00 42.33 H new ATOM 0 HG12 VAL A 59 -7.029 2.181 -2.724 1.00 42.33 H new ATOM 0 HG13 VAL A 59 -5.792 1.561 -3.843 1.00 42.33 H new ATOM 0 HG21 VAL A 59 -3.751 0.808 -1.603 1.00 73.42 H new ATOM 0 HG22 VAL A 59 -3.268 1.673 -3.081 1.00 73.42 H new ATOM 0 HG23 VAL A 59 -2.912 2.373 -1.484 1.00 73.42 H new ATOM 995 N GLU A 60 -6.748 5.181 -3.688 1.00 63.21 N ATOM 996 CA GLU A 60 -7.908 6.096 -3.732 1.00 15.11 C ATOM 997 C GLU A 60 -9.204 5.322 -4.052 1.00 32.20 C ATOM 998 O GLU A 60 -9.160 4.249 -4.650 1.00 64.00 O ATOM 999 CB GLU A 60 -7.624 7.174 -4.809 1.00 31.33 C ATOM 1000 CG GLU A 60 -8.671 8.302 -4.931 1.00 20.44 C ATOM 1001 CD GLU A 60 -8.271 9.362 -5.969 1.00 34.04 C ATOM 1002 OE1 GLU A 60 -7.568 10.332 -5.606 1.00 13.02 O ATOM 1003 OE2 GLU A 60 -8.625 9.209 -7.154 1.00 3.21 O ATOM 0 H GLU A 60 -6.412 4.914 -4.614 1.00 63.21 H new ATOM 0 HA GLU A 60 -8.051 6.569 -2.761 1.00 15.11 H new ATOM 0 HB2 GLU A 60 -6.655 7.626 -4.595 1.00 31.33 H new ATOM 0 HB3 GLU A 60 -7.538 6.679 -5.776 1.00 31.33 H new ATOM 0 HG2 GLU A 60 -9.634 7.872 -5.207 1.00 20.44 H new ATOM 0 HG3 GLU A 60 -8.802 8.779 -3.960 1.00 20.44 H new ATOM 1010 N ARG A 61 -10.356 5.882 -3.646 1.00 75.15 N ATOM 1011 CA ARG A 61 -11.673 5.251 -3.817 1.00 71.23 C ATOM 1012 C ARG A 61 -12.278 5.651 -5.164 1.00 24.34 C ATOM 1013 O ARG A 61 -12.295 6.834 -5.511 1.00 45.13 O ATOM 1014 CB ARG A 61 -12.624 5.672 -2.658 1.00 45.11 C ATOM 1015 CG ARG A 61 -14.018 5.001 -2.696 1.00 43.14 C ATOM 1016 CD ARG A 61 -13.935 3.464 -2.666 1.00 15.42 C ATOM 1017 NE ARG A 61 -15.257 2.835 -2.744 1.00 41.31 N ATOM 1018 CZ ARG A 61 -15.569 1.631 -2.248 1.00 61.05 C ATOM 1019 NH1 ARG A 61 -14.655 0.895 -1.624 1.00 25.42 N ATOM 1020 NH2 ARG A 61 -16.800 1.170 -2.397 1.00 72.35 N ATOM 0 H ARG A 61 -10.398 6.792 -3.187 1.00 75.15 H new ATOM 0 HA ARG A 61 -11.549 4.168 -3.795 1.00 71.23 H new ATOM 0 HB2 ARG A 61 -12.146 5.434 -1.708 1.00 45.11 H new ATOM 0 HB3 ARG A 61 -12.755 6.754 -2.687 1.00 45.11 H new ATOM 0 HG2 ARG A 61 -14.607 5.346 -1.846 1.00 43.14 H new ATOM 0 HG3 ARG A 61 -14.544 5.315 -3.597 1.00 43.14 H new ATOM 0 HD2 ARG A 61 -13.321 3.119 -3.498 1.00 15.42 H new ATOM 0 HD3 ARG A 61 -13.437 3.147 -1.750 1.00 15.42 H new ATOM 0 HE ARG A 61 -15.998 3.356 -3.213 1.00 41.31 H new ATOM 0 HH11 ARG A 61 -13.703 1.246 -1.518 1.00 25.42 H new ATOM 0 HH12 ARG A 61 -14.906 -0.021 -1.251 1.00 25.42 H new ATOM 0 HH21 ARG A 61 -17.499 1.730 -2.885 1.00 72.35 H new ATOM 0 HH22 ARG A 61 -17.050 0.254 -2.024 1.00 72.35 H new ATOM 1034 N GLN A 62 -12.792 4.658 -5.894 1.00 64.12 N ATOM 1035 CA GLN A 62 -13.419 4.856 -7.202 1.00 43.24 C ATOM 1036 C GLN A 62 -14.646 3.924 -7.310 1.00 63.42 C ATOM 1037 O GLN A 62 -14.514 2.754 -7.677 1.00 72.33 O ATOM 1038 CB GLN A 62 -12.386 4.577 -8.331 1.00 74.41 C ATOM 1039 CG GLN A 62 -12.879 4.913 -9.753 1.00 33.32 C ATOM 1040 CD GLN A 62 -11.874 4.561 -10.852 1.00 23.54 C ATOM 1041 OE1 GLN A 62 -11.095 3.615 -10.726 1.00 53.01 O ATOM 1042 NE2 GLN A 62 -11.887 5.310 -11.946 1.00 4.51 N ATOM 0 H GLN A 62 -12.784 3.684 -5.590 1.00 64.12 H new ATOM 0 HA GLN A 62 -13.754 5.887 -7.312 1.00 43.24 H new ATOM 0 HB2 GLN A 62 -11.483 5.153 -8.129 1.00 74.41 H new ATOM 0 HB3 GLN A 62 -12.107 3.524 -8.297 1.00 74.41 H new ATOM 0 HG2 GLN A 62 -13.811 4.379 -9.940 1.00 33.32 H new ATOM 0 HG3 GLN A 62 -13.105 5.978 -9.807 1.00 33.32 H new ATOM 0 HE21 GLN A 62 -12.543 6.087 -12.024 1.00 4.51 H new ATOM 0 HE22 GLN A 62 -11.241 5.109 -12.710 1.00 4.51 H new ATOM 1051 N GLY A 63 -15.822 4.447 -6.921 1.00 32.22 N ATOM 1052 CA GLY A 63 -17.082 3.698 -6.969 1.00 44.52 C ATOM 1053 C GLY A 63 -17.141 2.574 -5.932 1.00 42.25 C ATOM 1054 O GLY A 63 -17.359 2.831 -4.743 1.00 1.25 O ATOM 0 H GLY A 63 -15.922 5.398 -6.566 1.00 32.22 H new ATOM 0 HA2 GLY A 63 -17.914 4.383 -6.804 1.00 44.52 H new ATOM 0 HA3 GLY A 63 -17.211 3.275 -7.965 1.00 44.52 H new ATOM 1058 N ASN A 64 -16.936 1.323 -6.392 1.00 64.02 N ATOM 1059 CA ASN A 64 -16.906 0.113 -5.532 1.00 13.12 C ATOM 1060 C ASN A 64 -15.512 -0.537 -5.536 1.00 61.13 C ATOM 1061 O ASN A 64 -15.299 -1.575 -4.896 1.00 40.51 O ATOM 1062 CB ASN A 64 -17.986 -0.908 -6.002 1.00 64.34 C ATOM 1063 CG ASN A 64 -19.415 -0.499 -5.623 1.00 44.11 C ATOM 1064 OD1 ASN A 64 -19.955 -0.949 -4.610 1.00 73.14 O ATOM 1065 ND2 ASN A 64 -20.025 0.374 -6.407 1.00 50.11 N ATOM 0 H ASN A 64 -16.785 1.118 -7.380 1.00 64.02 H new ATOM 0 HA ASN A 64 -17.130 0.417 -4.509 1.00 13.12 H new ATOM 0 HB2 ASN A 64 -17.923 -1.020 -7.084 1.00 64.34 H new ATOM 0 HB3 ASN A 64 -17.767 -1.883 -5.567 1.00 64.34 H new ATOM 0 HD21 ASN A 64 -20.967 0.692 -6.180 1.00 50.11 H new ATOM 0 HD22 ASN A 64 -19.553 0.729 -7.239 1.00 50.11 H new ATOM 1072 N THR A 65 -14.561 0.085 -6.253 1.00 3.34 N ATOM 1073 CA THR A 65 -13.180 -0.416 -6.395 1.00 30.01 C ATOM 1074 C THR A 65 -12.177 0.559 -5.753 1.00 65.13 C ATOM 1075 O THR A 65 -12.527 1.701 -5.427 1.00 70.05 O ATOM 1076 CB THR A 65 -12.812 -0.632 -7.908 1.00 51.32 C ATOM 1077 OG1 THR A 65 -12.964 0.594 -8.656 1.00 43.30 O ATOM 1078 CG2 THR A 65 -13.682 -1.726 -8.560 1.00 72.44 C ATOM 0 H THR A 65 -14.729 0.957 -6.755 1.00 3.34 H new ATOM 0 HA THR A 65 -13.123 -1.375 -5.880 1.00 30.01 H new ATOM 0 HB THR A 65 -11.770 -0.951 -7.933 1.00 51.32 H new ATOM 0 HG1 THR A 65 -13.396 1.270 -8.093 1.00 43.30 H new ATOM 0 HG21 THR A 65 -13.396 -1.844 -9.605 1.00 72.44 H new ATOM 0 HG22 THR A 65 -13.534 -2.670 -8.035 1.00 72.44 H new ATOM 0 HG23 THR A 65 -14.732 -1.439 -8.502 1.00 72.44 H new ATOM 1086 N TRP A 66 -10.935 0.085 -5.573 1.00 43.00 N ATOM 1087 CA TRP A 66 -9.805 0.894 -5.091 1.00 41.20 C ATOM 1088 C TRP A 66 -8.726 0.938 -6.185 1.00 5.33 C ATOM 1089 O TRP A 66 -8.419 -0.088 -6.797 1.00 20.30 O ATOM 1090 CB TRP A 66 -9.241 0.291 -3.780 1.00 51.30 C ATOM 1091 CG TRP A 66 -10.191 0.396 -2.606 1.00 52.45 C ATOM 1092 CD1 TRP A 66 -11.067 -0.556 -2.161 1.00 63.23 C ATOM 1093 CD2 TRP A 66 -10.367 1.534 -1.746 1.00 52.15 C ATOM 1094 NE1 TRP A 66 -11.767 -0.075 -1.082 1.00 21.22 N ATOM 1095 CE2 TRP A 66 -11.356 1.200 -0.808 1.00 22.43 C ATOM 1096 CE3 TRP A 66 -9.776 2.801 -1.676 1.00 44.41 C ATOM 1097 CZ2 TRP A 66 -11.771 2.082 0.184 1.00 30.40 C ATOM 1098 CZ3 TRP A 66 -10.189 3.678 -0.691 1.00 73.45 C ATOM 1099 CH2 TRP A 66 -11.179 3.315 0.229 1.00 73.33 C ATOM 0 H TRP A 66 -10.684 -0.885 -5.761 1.00 43.00 H new ATOM 0 HA TRP A 66 -10.137 1.910 -4.876 1.00 41.20 H new ATOM 0 HB2 TRP A 66 -8.999 -0.758 -3.948 1.00 51.30 H new ATOM 0 HB3 TRP A 66 -8.309 0.797 -3.529 1.00 51.30 H new ATOM 0 HD1 TRP A 66 -11.190 -1.538 -2.593 1.00 63.23 H new ATOM 0 HE1 TRP A 66 -12.481 -0.588 -0.566 1.00 21.22 H new ATOM 0 HE3 TRP A 66 -9.010 3.089 -2.380 1.00 44.41 H new ATOM 0 HZ2 TRP A 66 -12.535 1.803 0.895 1.00 30.40 H new ATOM 0 HZ3 TRP A 66 -9.741 4.659 -0.630 1.00 73.45 H new ATOM 0 HH2 TRP A 66 -11.481 4.021 0.988 1.00 73.33 H new ATOM 1110 N THR A 67 -8.161 2.129 -6.417 1.00 12.04 N ATOM 1111 CA THR A 67 -7.185 2.383 -7.492 1.00 64.13 C ATOM 1112 C THR A 67 -5.901 3.019 -6.904 1.00 30.02 C ATOM 1113 O THR A 67 -5.963 4.052 -6.236 1.00 11.01 O ATOM 1114 CB THR A 67 -7.822 3.299 -8.608 1.00 31.34 C ATOM 1115 OG1 THR A 67 -6.857 3.595 -9.631 1.00 53.32 O ATOM 1116 CG2 THR A 67 -8.404 4.627 -8.056 1.00 64.44 C ATOM 0 H THR A 67 -8.369 2.956 -5.858 1.00 12.04 H new ATOM 0 HA THR A 67 -6.911 1.436 -7.957 1.00 64.13 H new ATOM 0 HB THR A 67 -8.652 2.728 -9.024 1.00 31.34 H new ATOM 0 HG1 THR A 67 -7.269 4.162 -10.315 1.00 53.32 H new ATOM 0 HG21 THR A 67 -8.826 5.208 -8.876 1.00 64.44 H new ATOM 0 HG22 THR A 67 -9.185 4.407 -7.328 1.00 64.44 H new ATOM 0 HG23 THR A 67 -7.611 5.200 -7.576 1.00 64.44 H new ATOM 1124 N VAL A 68 -4.741 2.369 -7.120 1.00 14.01 N ATOM 1125 CA VAL A 68 -3.440 2.885 -6.648 1.00 72.12 C ATOM 1126 C VAL A 68 -2.997 4.082 -7.512 1.00 30.04 C ATOM 1127 O VAL A 68 -2.781 3.942 -8.721 1.00 55.12 O ATOM 1128 CB VAL A 68 -2.332 1.762 -6.644 1.00 43.52 C ATOM 1129 CG1 VAL A 68 -0.936 2.327 -6.268 1.00 31.32 C ATOM 1130 CG2 VAL A 68 -2.734 0.609 -5.694 1.00 44.13 C ATOM 0 H VAL A 68 -4.678 1.482 -7.620 1.00 14.01 H new ATOM 0 HA VAL A 68 -3.568 3.219 -5.618 1.00 72.12 H new ATOM 0 HB VAL A 68 -2.257 1.369 -7.658 1.00 43.52 H new ATOM 0 HG11 VAL A 68 -0.203 1.521 -6.277 1.00 31.32 H new ATOM 0 HG12 VAL A 68 -0.646 3.090 -6.990 1.00 31.32 H new ATOM 0 HG13 VAL A 68 -0.978 2.768 -5.272 1.00 31.32 H new ATOM 0 HG21 VAL A 68 -1.959 -0.157 -5.703 1.00 44.13 H new ATOM 0 HG22 VAL A 68 -2.850 0.996 -4.681 1.00 44.13 H new ATOM 0 HG23 VAL A 68 -3.677 0.175 -6.027 1.00 44.13 H new ATOM 1140 N LYS A 69 -2.908 5.253 -6.869 1.00 73.24 N ATOM 1141 CA LYS A 69 -2.466 6.501 -7.496 1.00 22.30 C ATOM 1142 C LYS A 69 -0.946 6.484 -7.711 1.00 4.13 C ATOM 1143 O LYS A 69 -0.468 6.602 -8.843 1.00 53.33 O ATOM 1144 CB LYS A 69 -2.883 7.695 -6.597 1.00 61.41 C ATOM 1145 CG LYS A 69 -4.408 7.812 -6.359 1.00 25.12 C ATOM 1146 CD LYS A 69 -5.221 8.070 -7.655 1.00 73.44 C ATOM 1147 CE LYS A 69 -4.904 9.433 -8.300 1.00 61.31 C ATOM 1148 NZ LYS A 69 -5.171 10.564 -7.372 1.00 25.31 N ATOM 0 H LYS A 69 -3.145 5.360 -5.883 1.00 73.24 H new ATOM 0 HA LYS A 69 -2.938 6.606 -8.473 1.00 22.30 H new ATOM 0 HB2 LYS A 69 -2.383 7.601 -5.633 1.00 61.41 H new ATOM 0 HB3 LYS A 69 -2.526 8.619 -7.052 1.00 61.41 H new ATOM 0 HG2 LYS A 69 -4.766 6.894 -5.892 1.00 25.12 H new ATOM 0 HG3 LYS A 69 -4.596 8.622 -5.655 1.00 25.12 H new ATOM 0 HD2 LYS A 69 -5.012 7.277 -8.373 1.00 73.44 H new ATOM 0 HD3 LYS A 69 -6.286 8.021 -7.426 1.00 73.44 H new ATOM 0 HE2 LYS A 69 -3.858 9.455 -8.606 1.00 61.31 H new ATOM 0 HE3 LYS A 69 -5.503 9.555 -9.202 1.00 61.31 H new ATOM 0 HZ1 LYS A 69 -5.311 11.437 -7.920 1.00 25.31 H new ATOM 0 HZ2 LYS A 69 -6.027 10.363 -6.817 1.00 25.31 H new ATOM 0 HZ3 LYS A 69 -4.362 10.684 -6.729 1.00 25.31 H new ATOM 1162 N ARG A 70 -0.195 6.291 -6.615 1.00 43.11 N ATOM 1163 CA ARG A 70 1.274 6.278 -6.648 1.00 72.32 C ATOM 1164 C ARG A 70 1.838 5.576 -5.405 1.00 20.01 C ATOM 1165 O ARG A 70 1.234 5.608 -4.333 1.00 64.51 O ATOM 1166 CB ARG A 70 1.842 7.728 -6.741 1.00 33.12 C ATOM 1167 CG ARG A 70 3.385 7.788 -6.850 1.00 33.34 C ATOM 1168 CD ARG A 70 3.943 9.214 -6.886 1.00 53.31 C ATOM 1169 NE ARG A 70 5.422 9.214 -6.921 1.00 35.44 N ATOM 1170 CZ ARG A 70 6.189 9.820 -7.843 1.00 31.03 C ATOM 1171 NH1 ARG A 70 5.648 10.508 -8.842 1.00 63.32 N ATOM 1172 NH2 ARG A 70 7.504 9.709 -7.773 1.00 61.53 N ATOM 0 H ARG A 70 -0.588 6.140 -5.686 1.00 43.11 H new ATOM 0 HA ARG A 70 1.582 5.725 -7.536 1.00 72.32 H new ATOM 0 HB2 ARG A 70 1.406 8.224 -7.608 1.00 33.12 H new ATOM 0 HB3 ARG A 70 1.527 8.289 -5.861 1.00 33.12 H new ATOM 0 HG2 ARG A 70 3.821 7.257 -6.004 1.00 33.34 H new ATOM 0 HG3 ARG A 70 3.698 7.262 -7.752 1.00 33.34 H new ATOM 0 HD2 ARG A 70 3.557 9.735 -7.762 1.00 53.31 H new ATOM 0 HD3 ARG A 70 3.598 9.764 -6.010 1.00 53.31 H new ATOM 0 HE ARG A 70 5.903 8.708 -6.178 1.00 35.44 H new ATOM 0 HH11 ARG A 70 4.634 10.583 -8.919 1.00 63.32 H new ATOM 0 HH12 ARG A 70 6.247 10.961 -9.532 1.00 63.32 H new ATOM 0 HH21 ARG A 70 7.931 9.166 -7.022 1.00 61.53 H new ATOM 0 HH22 ARG A 70 8.092 10.166 -8.470 1.00 61.53 H new ATOM 1186 N ILE A 71 2.994 4.923 -5.587 1.00 53.11 N ATOM 1187 CA ILE A 71 3.811 4.391 -4.495 1.00 41.12 C ATOM 1188 C ILE A 71 5.043 5.298 -4.316 1.00 5.32 C ATOM 1189 O ILE A 71 5.948 5.315 -5.164 1.00 61.21 O ATOM 1190 CB ILE A 71 4.266 2.915 -4.799 1.00 55.03 C ATOM 1191 CG1 ILE A 71 3.009 2.016 -5.025 1.00 22.41 C ATOM 1192 CG2 ILE A 71 5.177 2.367 -3.674 1.00 63.51 C ATOM 1193 CD1 ILE A 71 3.291 0.546 -5.251 1.00 63.14 C ATOM 0 H ILE A 71 3.391 4.749 -6.510 1.00 53.11 H new ATOM 0 HA ILE A 71 3.220 4.375 -3.579 1.00 41.12 H new ATOM 0 HB ILE A 71 4.861 2.906 -5.712 1.00 55.03 H new ATOM 0 HG12 ILE A 71 2.354 2.113 -4.159 1.00 22.41 H new ATOM 0 HG13 ILE A 71 2.460 2.399 -5.885 1.00 22.41 H new ATOM 0 HG21 ILE A 71 5.475 1.346 -3.912 1.00 63.51 H new ATOM 0 HG22 ILE A 71 6.065 2.993 -3.587 1.00 63.51 H new ATOM 0 HG23 ILE A 71 4.633 2.375 -2.729 1.00 63.51 H new ATOM 0 HD11 ILE A 71 2.351 0.013 -5.397 1.00 63.14 H new ATOM 0 HD12 ILE A 71 3.916 0.427 -6.136 1.00 63.14 H new ATOM 0 HD13 ILE A 71 3.809 0.137 -4.383 1.00 63.14 H new ATOM 1205 N THR A 72 5.037 6.086 -3.237 1.00 14.44 N ATOM 1206 CA THR A 72 6.149 6.966 -2.867 1.00 14.52 C ATOM 1207 C THR A 72 6.830 6.406 -1.612 1.00 64.10 C ATOM 1208 O THR A 72 6.207 6.319 -0.553 1.00 72.24 O ATOM 1209 CB THR A 72 5.630 8.423 -2.604 1.00 62.43 C ATOM 1210 OG1 THR A 72 4.935 8.906 -3.770 1.00 11.14 O ATOM 1211 CG2 THR A 72 6.777 9.396 -2.249 1.00 53.14 C ATOM 0 H THR A 72 4.251 6.131 -2.589 1.00 14.44 H new ATOM 0 HA THR A 72 6.869 7.007 -3.685 1.00 14.52 H new ATOM 0 HB THR A 72 4.955 8.382 -1.749 1.00 62.43 H new ATOM 0 HG1 THR A 72 4.610 9.815 -3.604 1.00 11.14 H new ATOM 0 HG21 THR A 72 6.369 10.392 -2.076 1.00 53.14 H new ATOM 0 HG22 THR A 72 7.283 9.049 -1.348 1.00 53.14 H new ATOM 0 HG23 THR A 72 7.490 9.434 -3.073 1.00 53.14 H new ATOM 1219 N ARG A 73 8.104 5.997 -1.748 1.00 63.15 N ATOM 1220 CA ARG A 73 8.912 5.512 -0.617 1.00 40.44 C ATOM 1221 C ARG A 73 9.208 6.677 0.337 1.00 33.52 C ATOM 1222 O ARG A 73 9.370 7.824 -0.113 1.00 34.35 O ATOM 1223 CB ARG A 73 10.232 4.876 -1.133 1.00 33.01 C ATOM 1224 CG ARG A 73 11.215 4.410 -0.031 1.00 33.00 C ATOM 1225 CD ARG A 73 12.418 3.634 -0.589 1.00 31.35 C ATOM 1226 NE ARG A 73 13.136 4.374 -1.643 1.00 60.44 N ATOM 1227 CZ ARG A 73 14.219 3.925 -2.297 1.00 22.32 C ATOM 1228 NH1 ARG A 73 14.749 2.735 -2.015 1.00 51.35 N ATOM 1229 NH2 ARG A 73 14.760 4.670 -3.252 1.00 13.43 N ATOM 0 H ARG A 73 8.599 5.993 -2.640 1.00 63.15 H new ATOM 0 HA ARG A 73 8.355 4.746 -0.077 1.00 40.44 H new ATOM 0 HB2 ARG A 73 9.983 4.020 -1.761 1.00 33.01 H new ATOM 0 HB3 ARG A 73 10.741 5.600 -1.769 1.00 33.01 H new ATOM 0 HG2 ARG A 73 11.574 5.280 0.519 1.00 33.00 H new ATOM 0 HG3 ARG A 73 10.682 3.780 0.681 1.00 33.00 H new ATOM 0 HD2 ARG A 73 13.108 3.408 0.224 1.00 31.35 H new ATOM 0 HD3 ARG A 73 12.075 2.680 -0.990 1.00 31.35 H new ATOM 0 HE ARG A 73 12.783 5.297 -1.894 1.00 60.44 H new ATOM 0 HH11 ARG A 73 14.331 2.149 -1.292 1.00 51.35 H new ATOM 0 HH12 ARG A 73 15.572 2.410 -2.522 1.00 51.35 H new ATOM 0 HH21 ARG A 73 14.353 5.576 -3.484 1.00 13.43 H new ATOM 0 HH22 ARG A 73 15.583 4.337 -3.754 1.00 13.43 H new ATOM 1243 N THR A 74 9.265 6.371 1.642 1.00 23.42 N ATOM 1244 CA THR A 74 9.525 7.362 2.683 1.00 65.10 C ATOM 1245 C THR A 74 10.923 7.984 2.485 1.00 5.22 C ATOM 1246 O THR A 74 11.896 7.280 2.168 1.00 43.04 O ATOM 1247 CB THR A 74 9.382 6.744 4.121 1.00 50.13 C ATOM 1248 OG1 THR A 74 9.483 7.784 5.098 1.00 42.50 O ATOM 1249 CG2 THR A 74 10.433 5.646 4.433 1.00 72.11 C ATOM 0 H THR A 74 9.131 5.425 2.000 1.00 23.42 H new ATOM 0 HA THR A 74 8.775 8.149 2.596 1.00 65.10 H new ATOM 0 HB THR A 74 8.404 6.263 4.157 1.00 50.13 H new ATOM 0 HG1 THR A 74 9.392 7.400 5.995 1.00 42.50 H new ATOM 0 HG21 THR A 74 10.273 5.265 5.442 1.00 72.11 H new ATOM 0 HG22 THR A 74 10.331 4.830 3.717 1.00 72.11 H new ATOM 0 HG23 THR A 74 11.435 6.070 4.360 1.00 72.11 H new ATOM 1257 N VAL A 75 10.993 9.309 2.602 1.00 11.55 N ATOM 1258 CA VAL A 75 12.244 10.063 2.461 1.00 43.43 C ATOM 1259 C VAL A 75 12.902 10.232 3.849 1.00 31.13 C ATOM 1260 O VAL A 75 12.210 10.214 4.880 1.00 32.22 O ATOM 1261 CB VAL A 75 11.961 11.450 1.769 1.00 63.23 C ATOM 1262 CG1 VAL A 75 11.006 12.325 2.612 1.00 53.23 C ATOM 1263 CG2 VAL A 75 13.273 12.190 1.401 1.00 53.51 C ATOM 0 H VAL A 75 10.182 9.895 2.798 1.00 11.55 H new ATOM 0 HA VAL A 75 12.940 9.517 1.824 1.00 43.43 H new ATOM 0 HB VAL A 75 11.448 11.245 0.829 1.00 63.23 H new ATOM 0 HG11 VAL A 75 10.835 13.273 2.102 1.00 53.23 H new ATOM 0 HG12 VAL A 75 10.056 11.806 2.741 1.00 53.23 H new ATOM 0 HG13 VAL A 75 11.452 12.514 3.588 1.00 53.23 H new ATOM 0 HG21 VAL A 75 13.033 13.141 0.926 1.00 53.51 H new ATOM 0 HG22 VAL A 75 13.854 12.372 2.305 1.00 53.51 H new ATOM 0 HG23 VAL A 75 13.855 11.578 0.713 1.00 53.51 H new ATOM 1273 N GLY A 76 14.235 10.354 3.873 1.00 13.33 N ATOM 1274 CA GLY A 76 14.994 10.555 5.111 1.00 62.42 C ATOM 1275 C GLY A 76 16.409 11.009 4.815 1.00 51.05 C ATOM 1276 O GLY A 76 17.375 10.504 5.403 1.00 63.13 O ATOM 0 H GLY A 76 14.816 10.316 3.035 1.00 13.33 H new ATOM 0 HA2 GLY A 76 14.493 11.297 5.732 1.00 62.42 H new ATOM 0 HA3 GLY A 76 15.018 9.626 5.681 1.00 62.42 H new ATOM 1280 N SER A 77 16.520 11.980 3.888 1.00 2.31 N ATOM 1281 CA SER A 77 17.814 12.526 3.425 1.00 12.14 C ATOM 1282 C SER A 77 18.350 13.583 4.428 1.00 31.42 C ATOM 1283 O SER A 77 17.778 13.754 5.520 1.00 2.30 O ATOM 1284 CB SER A 77 17.621 13.123 2.000 1.00 63.24 C ATOM 1285 OG SER A 77 18.856 13.515 1.414 1.00 1.32 O ATOM 0 H SER A 77 15.713 12.410 3.437 1.00 2.31 H new ATOM 0 HA SER A 77 18.560 11.733 3.375 1.00 12.14 H new ATOM 0 HB2 SER A 77 17.135 12.386 1.361 1.00 63.24 H new ATOM 0 HB3 SER A 77 16.956 13.985 2.055 1.00 63.24 H new ATOM 0 HG SER A 77 18.692 13.883 0.520 1.00 1.32 H new ATOM 1291 N LEU A 78 19.465 14.265 4.073 1.00 4.03 N ATOM 1292 CA LEU A 78 20.031 15.363 4.882 1.00 65.52 C ATOM 1293 C LEU A 78 19.147 16.622 4.742 1.00 14.41 C ATOM 1294 O LEU A 78 19.476 17.563 4.009 1.00 4.43 O ATOM 1295 CB LEU A 78 21.502 15.653 4.461 1.00 13.32 C ATOM 1296 CG LEU A 78 22.520 14.489 4.657 1.00 71.44 C ATOM 1297 CD1 LEU A 78 23.932 14.891 4.158 1.00 50.51 C ATOM 1298 CD2 LEU A 78 22.543 14.017 6.130 1.00 74.31 C ATOM 0 H LEU A 78 19.992 14.069 3.222 1.00 4.03 H new ATOM 0 HA LEU A 78 20.044 15.066 5.931 1.00 65.52 H new ATOM 0 HB2 LEU A 78 21.507 15.938 3.409 1.00 13.32 H new ATOM 0 HB3 LEU A 78 21.856 16.515 5.026 1.00 13.32 H new ATOM 0 HG LEU A 78 22.192 13.645 4.050 1.00 71.44 H new ATOM 0 HD11 LEU A 78 24.621 14.060 4.307 1.00 50.51 H new ATOM 0 HD12 LEU A 78 23.886 15.138 3.097 1.00 50.51 H new ATOM 0 HD13 LEU A 78 24.283 15.758 4.718 1.00 50.51 H new ATOM 0 HD21 LEU A 78 23.261 13.204 6.241 1.00 74.31 H new ATOM 0 HD22 LEU A 78 22.833 14.847 6.774 1.00 74.31 H new ATOM 0 HD23 LEU A 78 21.551 13.666 6.415 1.00 74.31 H new ATOM 1310 N GLU A 79 17.996 16.595 5.424 1.00 32.12 N ATOM 1311 CA GLU A 79 16.963 17.637 5.321 1.00 73.23 C ATOM 1312 C GLU A 79 16.960 18.512 6.578 1.00 72.20 C ATOM 1313 O GLU A 79 17.545 18.149 7.606 1.00 13.35 O ATOM 1314 CB GLU A 79 15.582 16.976 5.100 1.00 2.32 C ATOM 1315 CG GLU A 79 15.481 16.159 3.794 1.00 73.10 C ATOM 1316 CD GLU A 79 14.122 15.479 3.633 1.00 14.34 C ATOM 1317 OE1 GLU A 79 14.007 14.265 3.915 1.00 54.05 O ATOM 1318 OE2 GLU A 79 13.153 16.170 3.252 1.00 75.15 O ATOM 0 H GLU A 79 17.752 15.844 6.069 1.00 32.12 H new ATOM 0 HA GLU A 79 17.182 18.280 4.469 1.00 73.23 H new ATOM 0 HB2 GLU A 79 15.364 16.322 5.944 1.00 2.32 H new ATOM 0 HB3 GLU A 79 14.816 17.752 5.092 1.00 2.32 H new ATOM 0 HG2 GLU A 79 15.658 16.817 2.943 1.00 73.10 H new ATOM 0 HG3 GLU A 79 16.266 15.403 3.781 1.00 73.10 H new ATOM 1325 N HIS A 80 16.263 19.649 6.488 1.00 50.54 N ATOM 1326 CA HIS A 80 16.240 20.680 7.533 1.00 63.21 C ATOM 1327 C HIS A 80 15.444 20.205 8.764 1.00 13.32 C ATOM 1328 O HIS A 80 14.207 20.245 8.774 1.00 22.25 O ATOM 1329 CB HIS A 80 15.669 22.005 6.960 1.00 42.30 C ATOM 1330 CG HIS A 80 16.531 22.638 5.891 1.00 33.33 C ATOM 1331 ND1 HIS A 80 16.879 23.969 5.898 1.00 13.02 N ATOM 1332 CD2 HIS A 80 17.113 22.118 4.775 1.00 73.33 C ATOM 1333 CE1 HIS A 80 17.624 24.237 4.845 1.00 41.15 C ATOM 1334 NE2 HIS A 80 17.784 23.134 4.151 1.00 71.22 N ATOM 0 H HIS A 80 15.691 19.883 5.677 1.00 50.54 H new ATOM 0 HA HIS A 80 17.262 20.865 7.865 1.00 63.21 H new ATOM 0 HB2 HIS A 80 14.679 21.813 6.546 1.00 42.30 H new ATOM 0 HB3 HIS A 80 15.541 22.716 7.776 1.00 42.30 H new ATOM 0 HD2 HIS A 80 17.055 21.092 4.443 1.00 73.33 H new ATOM 0 HE1 HIS A 80 18.035 25.204 4.594 1.00 41.15 H new ATOM 0 HE2 HIS A 80 18.321 23.049 3.288 1.00 71.22 H new ATOM 1343 N HIS A 81 16.182 19.690 9.771 1.00 73.12 N ATOM 1344 CA HIS A 81 15.616 19.260 11.059 1.00 34.34 C ATOM 1345 C HIS A 81 15.143 20.498 11.839 1.00 31.52 C ATOM 1346 O HIS A 81 15.904 21.469 11.979 1.00 1.34 O ATOM 1347 CB HIS A 81 16.661 18.459 11.871 1.00 63.22 C ATOM 1348 CG HIS A 81 16.140 17.873 13.159 1.00 53.25 C ATOM 1349 ND1 HIS A 81 16.402 18.419 14.397 1.00 5.45 N ATOM 1350 CD2 HIS A 81 15.371 16.782 13.393 1.00 2.42 C ATOM 1351 CE1 HIS A 81 15.819 17.697 15.329 1.00 12.11 C ATOM 1352 NE2 HIS A 81 15.190 16.703 14.749 1.00 74.35 N ATOM 0 H HIS A 81 17.192 19.562 9.709 1.00 73.12 H new ATOM 0 HA HIS A 81 14.764 18.604 10.882 1.00 34.34 H new ATOM 0 HB2 HIS A 81 17.044 17.651 11.248 1.00 63.22 H new ATOM 0 HB3 HIS A 81 17.503 19.112 12.099 1.00 63.22 H new ATOM 0 HD2 HIS A 81 14.976 16.104 12.651 1.00 2.42 H new ATOM 0 HE1 HIS A 81 15.853 17.890 16.391 1.00 12.11 H new ATOM 0 HE2 HIS A 81 14.651 15.984 15.231 1.00 74.35 H new ATOM 1361 N HIS A 82 13.895 20.429 12.335 1.00 32.42 N ATOM 1362 CA HIS A 82 13.161 21.569 12.912 1.00 40.24 C ATOM 1363 C HIS A 82 12.929 22.657 11.834 1.00 41.43 C ATOM 1364 O HIS A 82 13.721 23.591 11.681 1.00 41.14 O ATOM 1365 CB HIS A 82 13.845 22.123 14.196 1.00 61.24 C ATOM 1366 CG HIS A 82 13.146 23.293 14.827 1.00 54.22 C ATOM 1367 ND1 HIS A 82 11.934 23.190 15.483 1.00 41.33 N ATOM 1368 CD2 HIS A 82 13.483 24.602 14.883 1.00 4.52 C ATOM 1369 CE1 HIS A 82 11.564 24.381 15.906 1.00 73.41 C ATOM 1370 NE2 HIS A 82 12.488 25.252 15.554 1.00 24.05 N ATOM 0 H HIS A 82 13.358 19.562 12.346 1.00 32.42 H new ATOM 0 HA HIS A 82 12.183 21.216 13.238 1.00 40.24 H new ATOM 0 HB2 HIS A 82 13.913 21.320 14.930 1.00 61.24 H new ATOM 0 HB3 HIS A 82 14.865 22.417 13.949 1.00 61.24 H new ATOM 0 HD2 HIS A 82 14.376 25.050 14.472 1.00 4.52 H new ATOM 0 HE1 HIS A 82 10.658 24.606 16.449 1.00 73.41 H new ATOM 0 HE2 HIS A 82 12.464 26.252 15.751 1.00 24.05 H new ATOM 1379 N HIS A 83 11.853 22.481 11.062 1.00 2.15 N ATOM 1380 CA HIS A 83 11.499 23.348 9.916 1.00 34.01 C ATOM 1381 C HIS A 83 10.056 23.878 10.046 1.00 34.01 C ATOM 1382 O HIS A 83 9.502 24.417 9.080 1.00 15.02 O ATOM 1383 CB HIS A 83 11.709 22.577 8.578 1.00 40.21 C ATOM 1384 CG HIS A 83 10.866 21.330 8.404 1.00 31.23 C ATOM 1385 ND1 HIS A 83 10.095 21.080 7.286 1.00 11.25 N ATOM 1386 CD2 HIS A 83 10.705 20.249 9.200 1.00 43.33 C ATOM 1387 CE1 HIS A 83 9.500 19.912 7.414 1.00 40.43 C ATOM 1388 NE2 HIS A 83 9.856 19.390 8.568 1.00 70.35 N ATOM 0 H HIS A 83 11.188 21.722 11.211 1.00 2.15 H new ATOM 0 HA HIS A 83 12.160 24.215 9.916 1.00 34.01 H new ATOM 0 HB2 HIS A 83 11.498 23.255 7.751 1.00 40.21 H new ATOM 0 HB3 HIS A 83 12.760 22.298 8.501 1.00 40.21 H new ATOM 0 HD2 HIS A 83 11.166 20.094 10.164 1.00 43.33 H new ATOM 0 HE1 HIS A 83 8.834 19.460 6.694 1.00 40.43 H new ATOM 0 HE2 HIS A 83 9.547 18.488 8.931 1.00 70.35 H new ATOM 1397 N HIS A 84 9.459 23.739 11.255 1.00 34.30 N ATOM 1398 CA HIS A 84 8.158 24.360 11.599 1.00 70.41 C ATOM 1399 C HIS A 84 8.111 24.682 13.102 1.00 52.54 C ATOM 1400 O HIS A 84 8.841 24.072 13.897 1.00 42.44 O ATOM 1401 CB HIS A 84 6.938 23.467 11.204 1.00 41.22 C ATOM 1402 CG HIS A 84 6.720 22.239 12.063 1.00 12.03 C ATOM 1403 ND1 HIS A 84 6.018 22.265 13.253 1.00 54.14 N ATOM 1404 CD2 HIS A 84 7.092 20.947 11.892 1.00 33.04 C ATOM 1405 CE1 HIS A 84 5.974 21.052 13.767 1.00 12.24 C ATOM 1406 NE2 HIS A 84 6.621 20.236 12.963 1.00 75.31 N ATOM 0 H HIS A 84 9.865 23.195 12.016 1.00 34.30 H new ATOM 0 HA HIS A 84 8.080 25.280 11.019 1.00 70.41 H new ATOM 0 HB2 HIS A 84 6.036 24.078 11.240 1.00 41.22 H new ATOM 0 HB3 HIS A 84 7.065 23.147 10.170 1.00 41.22 H new ATOM 0 HD1 HIS A 84 5.598 23.096 13.670 1.00 54.14 H new ATOM 0 HD2 HIS A 84 7.657 20.550 11.062 1.00 33.04 H new ATOM 0 HE1 HIS A 84 5.489 20.775 14.691 1.00 12.24 H new ATOM 1415 N HIS A 85 7.239 25.636 13.468 1.00 31.32 N ATOM 1416 CA HIS A 85 6.982 26.019 14.871 1.00 24.02 C ATOM 1417 C HIS A 85 5.894 25.103 15.482 1.00 33.15 C ATOM 1418 O HIS A 85 6.023 24.702 16.652 1.00 71.13 O ATOM 1419 CB HIS A 85 6.533 27.499 14.960 1.00 23.44 C ATOM 1420 CG HIS A 85 7.579 28.500 14.536 1.00 4.45 C ATOM 1421 ND1 HIS A 85 8.210 29.347 15.417 1.00 14.51 N ATOM 1422 CD2 HIS A 85 8.096 28.795 13.317 1.00 43.51 C ATOM 1423 CE1 HIS A 85 9.050 30.118 14.766 1.00 31.04 C ATOM 1424 NE2 HIS A 85 9.004 29.806 13.493 1.00 53.01 N ATOM 1425 OXT HIS A 85 4.923 24.767 14.766 1.00 38.66 O ATOM 0 H HIS A 85 6.687 26.169 12.795 1.00 31.32 H new ATOM 0 HA HIS A 85 7.908 25.901 15.434 1.00 24.02 H new ATOM 0 HB2 HIS A 85 5.647 27.634 14.339 1.00 23.44 H new ATOM 0 HB3 HIS A 85 6.238 27.714 15.987 1.00 23.44 H new ATOM 0 HD2 HIS A 85 7.839 28.321 12.381 1.00 43.51 H new ATOM 0 HE1 HIS A 85 9.675 30.882 15.205 1.00 31.04 H new ATOM 0 HE2 HIS A 85 9.554 30.244 12.754 1.00 53.01 H new TER 1434 HIS A 85