USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 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 110 ASN : amide:sc= 0.994 K(o=2.2,f=0.91) USER MOD Set 1.2: A 114 HIS : no HD1:sc= 1.2 K(o=2.2,f=-6.6!) USER MOD Set 2.1: A 1 SER N :NH3+ 158:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 4 ASN : amide:sc= 0.958 K(o=2.1,f=-6.3!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 5 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.9) USER MOD Single : A 6 SER OG : rot 74:sc= 1.24 USER MOD Single : A 8 SER OG : rot 94:sc= 0.326 USER MOD Single : A 11 TYR OH : rot -107:sc= -2.62! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 1.12 (180deg=0.988) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 1.11 (180deg=-0.266) USER MOD Single : A 33 MET CE :methyl -127:sc= -2.68! (180deg=-4.83!) USER MOD Single : A 48 GLN : amide:sc= 1.28 K(o=1.3,f=-0.7) USER MOD Single : A 53 MET CE :methyl -140:sc= -0.477 (180deg=-1.64) USER MOD Single : A 54 GLN : amide:sc= 0.00389 K(o=0.0039,f=-1.8) USER MOD Single : A 68 MET CE :methyl -107:sc= -3.63! (180deg=-7.51!) USER MOD Single : A 72 ASN : amide:sc= -0.0555 K(o=-0.056,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -26:sc= 0.675 USER MOD Single : A 84 TYR OH : rot -157:sc= 1.24 USER MOD Single : A 88 THR OG1 : rot -81:sc= -0.789! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -166:sc= 1.28 USER MOD Single : A 94 ASN : amide:sc= 0.325 K(o=0.33,f=-5.1!) USER MOD Single : A 103 MET CE :methyl -137:sc= -0.037 (180deg=-1.72!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.113) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= -0.0792 (180deg=-0.429) USER MOD Single : A 113 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.6!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 117 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.115 -7.039 19.281 1.00 0.00 N ATOM 2 CA SER A 1 5.079 -5.921 19.339 1.00 0.00 C ATOM 3 C SER A 1 4.380 -4.649 19.800 1.00 0.00 C ATOM 4 O SER A 1 3.181 -4.660 20.086 1.00 0.00 O ATOM 5 CB SER A 1 5.696 -5.699 17.952 1.00 0.00 C ATOM 6 OG SER A 1 6.264 -6.895 17.442 1.00 0.00 O ATOM 0 H1 SER A 1 4.474 -7.774 18.638 1.00 0.00 H new ATOM 0 H2 SER A 1 3.992 -7.441 20.232 1.00 0.00 H new ATOM 0 H3 SER A 1 3.200 -6.690 18.932 1.00 0.00 H new ATOM 0 HA SER A 1 5.867 -6.169 20.050 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.931 -5.336 17.266 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.463 -4.927 18.012 1.00 0.00 H new ATOM 0 HG SER A 1 6.648 -6.723 16.557 1.00 0.00 H new ATOM 14 N SER A 2 5.128 -3.563 19.900 1.00 0.00 N ATOM 15 CA SER A 2 4.535 -2.257 20.105 1.00 0.00 C ATOM 16 C SER A 2 3.977 -1.761 18.778 1.00 0.00 C ATOM 17 O SER A 2 4.678 -1.789 17.764 1.00 0.00 O ATOM 18 CB SER A 2 5.575 -1.288 20.659 1.00 0.00 C ATOM 19 OG SER A 2 6.121 -1.787 21.868 1.00 0.00 O ATOM 0 H SER A 2 6.146 -3.562 19.842 1.00 0.00 H new ATOM 0 HA SER A 2 3.725 -2.324 20.831 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.369 -1.140 19.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.117 -0.314 20.834 1.00 0.00 H new ATOM 0 HG SER A 2 6.788 -1.156 22.211 1.00 0.00 H new ATOM 25 N ASN A 3 2.717 -1.332 18.793 1.00 0.00 N ATOM 26 CA ASN A 3 1.983 -1.006 17.570 1.00 0.00 C ATOM 27 C ASN A 3 1.775 -2.276 16.746 1.00 0.00 C ATOM 28 O ASN A 3 2.560 -2.592 15.850 1.00 0.00 O ATOM 29 CB ASN A 3 2.698 0.060 16.722 1.00 0.00 C ATOM 30 CG ASN A 3 2.865 1.393 17.429 1.00 0.00 C ATOM 31 OD1 ASN A 3 2.056 1.779 18.275 1.00 0.00 O ATOM 32 ND2 ASN A 3 3.920 2.113 17.074 1.00 0.00 N ATOM 0 H ASN A 3 2.177 -1.201 19.648 1.00 0.00 H new ATOM 0 HA ASN A 3 1.021 -0.588 17.865 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.681 -0.315 16.436 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.136 0.215 15.801 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.085 3.022 17.505 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.566 1.758 16.369 1.00 0.00 H new ATOM 39 N ASN A 4 0.726 -3.016 17.073 1.00 0.00 N ATOM 40 CA ASN A 4 0.448 -4.291 16.415 1.00 0.00 C ATOM 41 C ASN A 4 -0.280 -4.077 15.099 1.00 0.00 C ATOM 42 O ASN A 4 -0.258 -4.932 14.216 1.00 0.00 O ATOM 43 CB ASN A 4 -0.385 -5.192 17.326 1.00 0.00 C ATOM 44 CG ASN A 4 0.421 -5.795 18.459 1.00 0.00 C ATOM 45 OD1 ASN A 4 1.593 -6.150 18.292 1.00 0.00 O ATOM 46 ND2 ASN A 4 -0.195 -5.896 19.626 1.00 0.00 N ATOM 0 H ASN A 4 0.050 -2.758 17.791 1.00 0.00 H new ATOM 0 HA ASN A 4 1.402 -4.776 16.209 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.211 -4.615 17.742 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.824 -5.994 16.732 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.299 -6.279 20.432 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.164 -5.591 19.719 1.00 0.00 H new ATOM 53 N ASN A 5 -0.914 -2.922 14.972 1.00 0.00 N ATOM 54 CA ASN A 5 -1.665 -2.588 13.771 1.00 0.00 C ATOM 55 C ASN A 5 -0.814 -1.768 12.815 1.00 0.00 C ATOM 56 O ASN A 5 -1.335 -1.015 11.989 1.00 0.00 O ATOM 57 CB ASN A 5 -2.940 -1.825 14.134 1.00 0.00 C ATOM 58 CG ASN A 5 -4.009 -2.722 14.726 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.147 -3.885 14.349 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.762 -2.191 15.675 1.00 0.00 N ATOM 0 H ASN A 5 -0.924 -2.197 15.689 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.943 -3.517 13.273 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.697 -1.037 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.333 -1.337 13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.488 -2.750 16.122 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.616 -1.222 15.960 1.00 0.00 H new ATOM 67 N SER A 6 0.500 -1.923 12.927 1.00 0.00 N ATOM 68 CA SER A 6 1.426 -1.271 12.015 1.00 0.00 C ATOM 69 C SER A 6 1.199 -1.781 10.597 1.00 0.00 C ATOM 70 O SER A 6 0.934 -2.970 10.394 1.00 0.00 O ATOM 71 CB SER A 6 2.872 -1.533 12.447 1.00 0.00 C ATOM 72 OG SER A 6 3.117 -1.014 13.743 1.00 0.00 O ATOM 0 H SER A 6 0.947 -2.496 13.643 1.00 0.00 H new ATOM 0 HA SER A 6 1.248 -0.196 12.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.070 -2.605 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.557 -1.076 11.733 1.00 0.00 H new ATOM 0 HG SER A 6 2.687 -1.587 14.412 1.00 0.00 H new ATOM 78 N PHE A 7 1.296 -0.883 9.625 1.00 0.00 N ATOM 79 CA PHE A 7 1.016 -1.229 8.241 1.00 0.00 C ATOM 80 C PHE A 7 1.930 -2.359 7.771 1.00 0.00 C ATOM 81 O PHE A 7 1.471 -3.304 7.130 1.00 0.00 O ATOM 82 CB PHE A 7 1.175 -0.005 7.338 1.00 0.00 C ATOM 83 CG PHE A 7 0.324 -0.070 6.102 1.00 0.00 C ATOM 84 CD1 PHE A 7 0.745 -0.764 4.983 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.907 0.564 6.067 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.048 -0.827 3.852 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.701 0.507 4.939 1.00 0.00 C ATOM 88 CZ PHE A 7 -1.271 -0.190 3.831 1.00 0.00 C ATOM 0 H PHE A 7 1.566 0.090 9.771 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.016 -1.573 8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.918 0.891 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.221 0.091 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.703 -1.262 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.250 1.110 6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.290 -1.375 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.658 1.008 4.925 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.891 -0.237 2.948 1.00 0.00 H new ATOM 98 N SER A 8 3.215 -2.265 8.112 1.00 0.00 N ATOM 99 CA SER A 8 4.187 -3.293 7.742 1.00 0.00 C ATOM 100 C SER A 8 3.783 -4.671 8.274 1.00 0.00 C ATOM 101 O SER A 8 3.934 -5.679 7.581 1.00 0.00 O ATOM 102 CB SER A 8 5.572 -2.923 8.272 1.00 0.00 C ATOM 103 OG SER A 8 5.995 -1.675 7.757 1.00 0.00 O ATOM 0 H SER A 8 3.607 -1.488 8.644 1.00 0.00 H new ATOM 0 HA SER A 8 4.213 -3.345 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.550 -2.882 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.289 -3.696 7.997 1.00 0.00 H new ATOM 0 HG SER A 8 5.751 -0.963 8.384 1.00 0.00 H new ATOM 109 N ALA A 9 3.254 -4.708 9.493 1.00 0.00 N ATOM 110 CA ALA A 9 2.885 -5.967 10.131 1.00 0.00 C ATOM 111 C ALA A 9 1.733 -6.638 9.388 1.00 0.00 C ATOM 112 O ALA A 9 1.816 -7.810 9.013 1.00 0.00 O ATOM 113 CB ALA A 9 2.515 -5.734 11.589 1.00 0.00 C ATOM 0 H ALA A 9 3.071 -3.880 10.059 1.00 0.00 H new ATOM 0 HA ALA A 9 3.747 -6.634 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.242 -6.683 12.051 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.367 -5.305 12.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.671 -5.047 11.645 1.00 0.00 H new ATOM 119 N ILE A 10 0.669 -5.879 9.159 1.00 0.00 N ATOM 120 CA ILE A 10 -0.506 -6.399 8.472 1.00 0.00 C ATOM 121 C ILE A 10 -0.171 -6.740 7.023 1.00 0.00 C ATOM 122 O ILE A 10 -0.679 -7.719 6.471 1.00 0.00 O ATOM 123 CB ILE A 10 -1.676 -5.393 8.525 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.018 -5.068 9.983 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.898 -5.945 7.799 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.166 -4.096 10.139 1.00 0.00 C ATOM 0 H ILE A 10 0.596 -4.901 9.439 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.817 -7.308 8.986 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.371 -4.476 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.265 -5.993 10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.135 -4.654 10.470 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.710 -5.219 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.646 -6.136 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.213 -6.875 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.349 -3.916 11.198 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.916 -3.155 9.649 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.063 -4.516 9.683 1.00 0.00 H new ATOM 138 N TYR A 11 0.705 -5.941 6.420 1.00 0.00 N ATOM 139 CA TYR A 11 1.167 -6.206 5.065 1.00 0.00 C ATOM 140 C TYR A 11 1.876 -7.550 4.995 1.00 0.00 C ATOM 141 O TYR A 11 1.667 -8.314 4.063 1.00 0.00 O ATOM 142 CB TYR A 11 2.117 -5.109 4.582 1.00 0.00 C ATOM 143 CG TYR A 11 2.692 -5.396 3.215 1.00 0.00 C ATOM 144 CD1 TYR A 11 1.940 -5.179 2.072 1.00 0.00 C ATOM 145 CD2 TYR A 11 3.978 -5.901 3.070 1.00 0.00 C ATOM 146 CE1 TYR A 11 2.451 -5.455 0.821 1.00 0.00 C ATOM 147 CE2 TYR A 11 4.498 -6.178 1.821 1.00 0.00 C ATOM 148 CZ TYR A 11 3.727 -5.955 0.700 1.00 0.00 C ATOM 149 OH TYR A 11 4.232 -6.232 -0.549 1.00 0.00 O ATOM 0 H TYR A 11 1.107 -5.107 6.849 1.00 0.00 H new ATOM 0 HA TYR A 11 0.290 -6.224 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.584 -4.159 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.931 -4.998 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.938 -4.787 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.581 -6.080 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.852 -5.279 -0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.501 -6.566 1.723 1.00 0.00 H new ATOM 0 HH TYR A 11 4.268 -7.203 -0.680 1.00 0.00 H new ATOM 159 N LYS A 12 2.714 -7.835 5.984 1.00 0.00 N ATOM 160 CA LYS A 12 3.496 -9.064 5.984 1.00 0.00 C ATOM 161 C LYS A 12 2.593 -10.293 6.095 1.00 0.00 C ATOM 162 O LYS A 12 2.886 -11.343 5.517 1.00 0.00 O ATOM 163 CB LYS A 12 4.522 -9.045 7.117 1.00 0.00 C ATOM 164 CG LYS A 12 5.523 -10.184 7.043 1.00 0.00 C ATOM 165 CD LYS A 12 6.641 -10.017 8.058 1.00 0.00 C ATOM 166 CE LYS A 12 7.669 -11.128 7.931 1.00 0.00 C ATOM 167 NZ LYS A 12 8.818 -10.935 8.852 1.00 0.00 N ATOM 0 H LYS A 12 2.869 -7.234 6.793 1.00 0.00 H new ATOM 0 HA LYS A 12 4.028 -9.125 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.059 -8.097 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.999 -9.092 8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.011 -11.130 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.947 -10.232 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.126 -9.051 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.224 -10.017 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.194 -12.086 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.032 -11.170 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.494 -11.716 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.288 -10.033 8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.477 -10.921 9.834 1.00 0.00 H new ATOM 181 N GLU A 13 1.497 -10.159 6.833 1.00 0.00 N ATOM 182 CA GLU A 13 0.517 -11.235 6.942 1.00 0.00 C ATOM 183 C GLU A 13 -0.157 -11.464 5.589 1.00 0.00 C ATOM 184 O GLU A 13 -0.204 -12.587 5.081 1.00 0.00 O ATOM 185 CB GLU A 13 -0.533 -10.892 8.006 1.00 0.00 C ATOM 186 CG GLU A 13 -1.485 -12.039 8.314 1.00 0.00 C ATOM 187 CD GLU A 13 -2.550 -11.664 9.327 1.00 0.00 C ATOM 188 OE1 GLU A 13 -2.214 -11.022 10.343 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.728 -12.032 9.128 1.00 0.00 O ATOM 0 H GLU A 13 1.264 -9.319 7.363 1.00 0.00 H new ATOM 0 HA GLU A 13 1.029 -12.149 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.025 -10.596 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.111 -10.031 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.966 -12.363 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.914 -12.887 8.691 1.00 0.00 H new ATOM 196 N TRP A 14 -0.650 -10.375 5.009 1.00 0.00 N ATOM 197 CA TRP A 14 -1.309 -10.405 3.708 1.00 0.00 C ATOM 198 C TRP A 14 -0.350 -10.894 2.618 1.00 0.00 C ATOM 199 O TRP A 14 -0.709 -11.746 1.796 1.00 0.00 O ATOM 200 CB TRP A 14 -1.844 -9.001 3.395 1.00 0.00 C ATOM 201 CG TRP A 14 -2.316 -8.798 1.985 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.549 -9.084 1.473 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.558 -8.237 0.910 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.596 -8.737 0.143 1.00 0.00 N ATOM 205 CE2 TRP A 14 -2.386 -8.217 -0.224 1.00 0.00 C ATOM 206 CE3 TRP A 14 -0.257 -7.753 0.800 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.954 -7.727 -1.454 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.172 -7.269 -0.416 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.673 -7.257 -1.531 1.00 0.00 C ATOM 0 H TRP A 14 -0.604 -9.446 5.428 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.141 -11.108 3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.670 -8.785 4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.059 -8.275 3.607 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.366 -9.518 2.030 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.403 -8.849 -0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.404 -7.757 1.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.607 -7.719 -2.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.180 -6.892 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -0.306 -6.869 -2.470 1.00 0.00 H new ATOM 220 N TYR A 15 0.869 -10.362 2.631 1.00 0.00 N ATOM 221 CA TYR A 15 1.893 -10.730 1.659 1.00 0.00 C ATOM 222 C TYR A 15 2.178 -12.222 1.694 1.00 0.00 C ATOM 223 O TYR A 15 2.063 -12.897 0.680 1.00 0.00 O ATOM 224 CB TYR A 15 3.195 -9.957 1.907 1.00 0.00 C ATOM 225 CG TYR A 15 4.381 -10.537 1.167 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.388 -10.618 -0.222 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.480 -11.032 1.858 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.457 -11.170 -0.897 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.553 -11.587 1.188 1.00 0.00 C ATOM 230 CZ TYR A 15 6.537 -11.654 -0.189 1.00 0.00 C ATOM 231 OH TYR A 15 7.602 -12.205 -0.861 1.00 0.00 O ATOM 0 H TYR A 15 1.173 -9.667 3.312 1.00 0.00 H new ATOM 0 HA TYR A 15 1.506 -10.468 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.058 -8.919 1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.409 -9.951 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.543 -10.243 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.496 -10.982 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.448 -11.223 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.400 -11.967 1.740 1.00 0.00 H new ATOM 0 HH TYR A 15 8.280 -12.497 -0.216 1.00 0.00 H new ATOM 241 N GLU A 16 2.540 -12.734 2.866 1.00 0.00 N ATOM 242 CA GLU A 16 2.962 -14.124 2.981 1.00 0.00 C ATOM 243 C GLU A 16 1.813 -15.067 2.630 1.00 0.00 C ATOM 244 O GLU A 16 2.033 -16.212 2.236 1.00 0.00 O ATOM 245 CB GLU A 16 3.487 -14.418 4.384 1.00 0.00 C ATOM 246 CG GLU A 16 4.454 -15.587 4.421 1.00 0.00 C ATOM 247 CD GLU A 16 4.950 -15.899 5.813 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.452 -14.981 6.497 1.00 0.00 O ATOM 249 OE2 GLU A 16 4.862 -17.075 6.229 1.00 0.00 O ATOM 0 H GLU A 16 2.550 -12.212 3.742 1.00 0.00 H new ATOM 0 HA GLU A 16 3.773 -14.291 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.984 -13.530 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.646 -14.628 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.964 -16.470 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.306 -15.367 3.778 1.00 0.00 H new ATOM 256 N HIS A 17 0.589 -14.578 2.772 1.00 0.00 N ATOM 257 CA HIS A 17 -0.586 -15.338 2.376 1.00 0.00 C ATOM 258 C HIS A 17 -0.656 -15.457 0.854 1.00 0.00 C ATOM 259 O HIS A 17 -0.644 -16.558 0.302 1.00 0.00 O ATOM 260 CB HIS A 17 -1.856 -14.674 2.924 1.00 0.00 C ATOM 261 CG HIS A 17 -3.126 -15.377 2.547 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.629 -16.453 3.244 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.999 -15.147 1.538 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.751 -16.855 2.680 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.998 -16.080 1.645 1.00 0.00 N ATOM 0 H HIS A 17 0.385 -13.657 3.159 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.511 -16.341 2.795 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.788 -14.627 4.011 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.901 -13.647 2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.923 -14.373 0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.364 -17.680 3.011 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.803 -16.161 1.023 1.00 0.00 H new ATOM 274 N LYS A 18 -0.703 -14.318 0.170 1.00 0.00 N ATOM 275 CA LYS A 18 -0.836 -14.314 -1.283 1.00 0.00 C ATOM 276 C LYS A 18 0.485 -14.628 -1.972 1.00 0.00 C ATOM 277 O LYS A 18 0.541 -14.751 -3.197 1.00 0.00 O ATOM 278 CB LYS A 18 -1.390 -12.983 -1.783 1.00 0.00 C ATOM 279 CG LYS A 18 -2.888 -12.845 -1.582 1.00 0.00 C ATOM 280 CD LYS A 18 -3.444 -11.664 -2.355 1.00 0.00 C ATOM 281 CE LYS A 18 -4.963 -11.674 -2.366 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.520 -10.615 -3.245 1.00 0.00 N ATOM 0 H LYS A 18 -0.651 -13.392 0.595 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.544 -15.102 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.884 -12.169 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.161 -12.877 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.386 -13.760 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.104 -12.722 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.088 -10.735 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.071 -11.689 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.317 -12.648 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.334 -11.534 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.380 -10.968 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.755 -9.778 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.816 -10.356 -3.966 1.00 0.00 H new ATOM 296 N LYS A 19 1.539 -14.774 -1.183 1.00 0.00 N ATOM 297 CA LYS A 19 2.839 -15.180 -1.696 1.00 0.00 C ATOM 298 C LYS A 19 2.754 -16.592 -2.266 1.00 0.00 C ATOM 299 O LYS A 19 3.569 -16.994 -3.093 1.00 0.00 O ATOM 300 CB LYS A 19 3.882 -15.126 -0.575 1.00 0.00 C ATOM 301 CG LYS A 19 5.305 -15.378 -1.040 1.00 0.00 C ATOM 302 CD LYS A 19 6.265 -15.454 0.134 1.00 0.00 C ATOM 303 CE LYS A 19 7.690 -15.706 -0.325 1.00 0.00 C ATOM 304 NZ LYS A 19 8.601 -15.956 0.820 1.00 0.00 N ATOM 0 H LYS A 19 1.518 -14.616 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 19 3.139 -14.496 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.835 -14.148 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.623 -15.864 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.345 -16.309 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.616 -14.581 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.224 -14.523 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.953 -16.251 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.709 -16.563 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.047 -14.846 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.565 -16.124 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.602 -15.128 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.275 -16.791 1.347 1.00 0.00 H new ATOM 318 N GLN A 20 1.751 -17.338 -1.817 1.00 0.00 N ATOM 319 CA GLN A 20 1.526 -18.691 -2.303 1.00 0.00 C ATOM 320 C GLN A 20 0.684 -18.668 -3.575 1.00 0.00 C ATOM 321 O GLN A 20 0.612 -19.657 -4.307 1.00 0.00 O ATOM 322 CB GLN A 20 0.827 -19.522 -1.228 1.00 0.00 C ATOM 323 CG GLN A 20 1.608 -19.603 0.073 1.00 0.00 C ATOM 324 CD GLN A 20 0.864 -20.356 1.158 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.367 -20.353 1.205 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.610 -21.004 2.039 1.00 0.00 N ATOM 0 H GLN A 20 1.080 -17.026 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 20 2.491 -19.144 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.155 -19.093 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.662 -20.530 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.564 -20.092 -0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.828 -18.594 0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.627 -20.980 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.168 -21.528 2.794 1.00 0.00 H new ATOM 335 N VAL A 21 0.053 -17.530 -3.836 1.00 0.00 N ATOM 336 CA VAL A 21 -0.810 -17.378 -4.999 1.00 0.00 C ATOM 337 C VAL A 21 0.002 -16.924 -6.206 1.00 0.00 C ATOM 338 O VAL A 21 -0.025 -17.553 -7.269 1.00 0.00 O ATOM 339 CB VAL A 21 -1.943 -16.361 -4.729 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.872 -16.249 -5.927 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.725 -16.740 -3.479 1.00 0.00 C ATOM 0 H VAL A 21 0.124 -16.695 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.258 -18.350 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.484 -15.386 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.660 -15.527 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.305 -15.917 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.318 -17.222 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.516 -16.010 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.165 -17.728 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.054 -16.753 -2.620 1.00 0.00 H new ATOM 351 N TRP A 22 0.737 -15.841 -6.029 1.00 0.00 N ATOM 352 CA TRP A 22 1.560 -15.294 -7.098 1.00 0.00 C ATOM 353 C TRP A 22 2.841 -16.104 -7.239 1.00 0.00 C ATOM 354 O TRP A 22 3.127 -16.973 -6.416 1.00 0.00 O ATOM 355 CB TRP A 22 1.910 -13.830 -6.819 1.00 0.00 C ATOM 356 CG TRP A 22 0.723 -12.970 -6.515 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.479 -12.962 -7.164 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.633 -11.979 -5.486 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.314 -12.032 -6.595 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.654 -11.413 -5.565 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.515 -11.515 -4.502 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -1.078 -10.408 -4.702 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.091 -10.518 -3.646 1.00 0.00 C ATOM 364 CH2 TRP A 22 -0.195 -9.974 -3.751 1.00 0.00 C ATOM 0 H TRP A 22 0.782 -15.320 -5.153 1.00 0.00 H new ATOM 0 HA TRP A 22 0.991 -15.349 -8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.603 -13.786 -5.979 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.431 -13.420 -7.684 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.735 -13.594 -8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.270 -11.834 -6.891 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.508 -11.929 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -2.069 -9.985 -4.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.762 -10.152 -2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.497 -9.195 -3.067 1.00 0.00 H new ATOM 375 N SER A 23 3.604 -15.827 -8.280 1.00 0.00 N ATOM 376 CA SER A 23 4.888 -16.475 -8.466 1.00 0.00 C ATOM 377 C SER A 23 5.898 -15.901 -7.479 1.00 0.00 C ATOM 378 O SER A 23 5.805 -14.731 -7.103 1.00 0.00 O ATOM 379 CB SER A 23 5.371 -16.285 -9.904 1.00 0.00 C ATOM 380 OG SER A 23 5.371 -14.913 -10.266 1.00 0.00 O ATOM 0 H SER A 23 3.357 -15.158 -9.009 1.00 0.00 H new ATOM 0 HA SER A 23 4.783 -17.544 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.377 -16.692 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.728 -16.844 -10.584 1.00 0.00 H new ATOM 0 HG SER A 23 5.685 -14.818 -11.189 1.00 0.00 H new ATOM 386 N VAL A 24 6.853 -16.720 -7.057 1.00 0.00 N ATOM 387 CA VAL A 24 7.839 -16.301 -6.068 1.00 0.00 C ATOM 388 C VAL A 24 8.637 -15.090 -6.559 1.00 0.00 C ATOM 389 O VAL A 24 8.964 -14.193 -5.778 1.00 0.00 O ATOM 390 CB VAL A 24 8.803 -17.457 -5.697 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.594 -17.928 -6.908 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.734 -17.040 -4.568 1.00 0.00 C ATOM 0 H VAL A 24 6.966 -17.679 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 24 7.288 -16.015 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 24 8.200 -18.296 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.261 -18.739 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.907 -18.283 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.182 -17.100 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.402 -17.866 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.323 -16.178 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.145 -16.777 -3.689 1.00 0.00 H new ATOM 402 N GLY A 25 8.916 -15.053 -7.858 1.00 0.00 N ATOM 403 CA GLY A 25 9.649 -13.942 -8.431 1.00 0.00 C ATOM 404 C GLY A 25 8.849 -12.659 -8.385 1.00 0.00 C ATOM 405 O GLY A 25 9.377 -11.598 -8.047 1.00 0.00 O ATOM 0 H GLY A 25 8.646 -15.776 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.585 -13.806 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.909 -14.172 -9.464 1.00 0.00 H new ATOM 409 N TYR A 26 7.569 -12.756 -8.712 1.00 0.00 N ATOM 410 CA TYR A 26 6.691 -11.598 -8.686 1.00 0.00 C ATOM 411 C TYR A 26 6.426 -11.169 -7.248 1.00 0.00 C ATOM 412 O TYR A 26 6.424 -9.980 -6.939 1.00 0.00 O ATOM 413 CB TYR A 26 5.372 -11.907 -9.400 1.00 0.00 C ATOM 414 CG TYR A 26 4.441 -10.720 -9.507 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.562 -9.813 -10.550 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.442 -10.506 -8.564 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.717 -8.726 -10.652 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.592 -9.421 -8.661 1.00 0.00 C ATOM 419 CZ TYR A 26 2.737 -8.534 -9.705 1.00 0.00 C ATOM 420 OH TYR A 26 1.888 -7.454 -9.808 1.00 0.00 O ATOM 0 H TYR A 26 7.116 -13.624 -8.998 1.00 0.00 H new ATOM 0 HA TYR A 26 7.183 -10.779 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.590 -12.277 -10.402 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.862 -12.710 -8.868 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.330 -9.960 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.329 -11.199 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.824 -8.030 -11.471 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.819 -9.269 -7.923 1.00 0.00 H new ATOM 0 HH TYR A 26 1.254 -7.464 -9.061 1.00 0.00 H new ATOM 430 N ALA A 27 6.220 -12.145 -6.371 1.00 0.00 N ATOM 431 CA ALA A 27 5.942 -11.876 -4.967 1.00 0.00 C ATOM 432 C ALA A 27 7.115 -11.164 -4.304 1.00 0.00 C ATOM 433 O ALA A 27 6.925 -10.212 -3.543 1.00 0.00 O ATOM 434 CB ALA A 27 5.622 -13.169 -4.232 1.00 0.00 C ATOM 0 H ALA A 27 6.241 -13.136 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 27 5.074 -11.219 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.417 -12.951 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.747 -13.637 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.473 -13.847 -4.301 1.00 0.00 H new ATOM 440 N THR A 28 8.325 -11.622 -4.601 1.00 0.00 N ATOM 441 CA THR A 28 9.527 -11.005 -4.058 1.00 0.00 C ATOM 442 C THR A 28 9.647 -9.553 -4.526 1.00 0.00 C ATOM 443 O THR A 28 9.930 -8.658 -3.730 1.00 0.00 O ATOM 444 CB THR A 28 10.791 -11.793 -4.461 1.00 0.00 C ATOM 445 OG1 THR A 28 10.664 -13.158 -4.038 1.00 0.00 O ATOM 446 CG2 THR A 28 12.042 -11.186 -3.839 1.00 0.00 C ATOM 0 H THR A 28 8.499 -12.418 -5.215 1.00 0.00 H new ATOM 0 HA THR A 28 9.444 -11.022 -2.971 1.00 0.00 H new ATOM 0 HB THR A 28 10.888 -11.745 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.909 -13.576 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.916 -11.763 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.153 -10.156 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.954 -11.204 -2.753 1.00 0.00 H new ATOM 454 N GLU A 29 9.399 -9.324 -5.810 1.00 0.00 N ATOM 455 CA GLU A 29 9.485 -7.983 -6.373 1.00 0.00 C ATOM 456 C GLU A 29 8.382 -7.091 -5.806 1.00 0.00 C ATOM 457 O GLU A 29 8.638 -5.963 -5.390 1.00 0.00 O ATOM 458 CB GLU A 29 9.386 -8.034 -7.899 1.00 0.00 C ATOM 459 CG GLU A 29 9.753 -6.721 -8.571 1.00 0.00 C ATOM 460 CD GLU A 29 11.183 -6.309 -8.283 1.00 0.00 C ATOM 461 OE1 GLU A 29 12.106 -6.922 -8.861 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.397 -5.387 -7.470 1.00 0.00 O ATOM 0 H GLU A 29 9.137 -10.048 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 29 10.452 -7.560 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.042 -8.821 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.369 -8.306 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.614 -6.815 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.076 -5.938 -8.229 1.00 0.00 H new ATOM 469 N LEU A 30 7.160 -7.616 -5.775 1.00 0.00 N ATOM 470 CA LEU A 30 6.012 -6.875 -5.260 1.00 0.00 C ATOM 471 C LEU A 30 6.263 -6.428 -3.823 1.00 0.00 C ATOM 472 O LEU A 30 6.044 -5.263 -3.478 1.00 0.00 O ATOM 473 CB LEU A 30 4.739 -7.735 -5.354 1.00 0.00 C ATOM 474 CG LEU A 30 3.432 -7.059 -4.914 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.258 -7.626 -5.695 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.195 -7.255 -3.424 1.00 0.00 C ATOM 0 H LEU A 30 6.939 -8.556 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 30 5.869 -5.983 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.624 -8.065 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.884 -8.629 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 30 3.520 -5.992 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.338 -7.138 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.410 -7.449 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.183 -8.698 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.264 -6.767 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.130 -8.320 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.021 -6.818 -2.864 1.00 0.00 H new ATOM 488 N ALA A 31 6.733 -7.350 -2.993 1.00 0.00 N ATOM 489 CA ALA A 31 7.025 -7.040 -1.605 1.00 0.00 C ATOM 490 C ALA A 31 8.173 -6.045 -1.507 1.00 0.00 C ATOM 491 O ALA A 31 8.156 -5.154 -0.659 1.00 0.00 O ATOM 492 CB ALA A 31 7.346 -8.307 -0.833 1.00 0.00 C ATOM 0 H ALA A 31 6.919 -8.317 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 31 6.140 -6.583 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.562 -8.055 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.492 -8.983 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.215 -8.793 -1.277 1.00 0.00 H new ATOM 498 N LYS A 32 9.159 -6.186 -2.389 1.00 0.00 N ATOM 499 CA LYS A 32 10.290 -5.268 -2.419 1.00 0.00 C ATOM 500 C LYS A 32 9.829 -3.857 -2.762 1.00 0.00 C ATOM 501 O LYS A 32 10.255 -2.900 -2.126 1.00 0.00 O ATOM 502 CB LYS A 32 11.353 -5.728 -3.421 1.00 0.00 C ATOM 503 CG LYS A 32 12.568 -4.811 -3.468 1.00 0.00 C ATOM 504 CD LYS A 32 13.552 -5.236 -4.545 1.00 0.00 C ATOM 505 CE LYS A 32 14.684 -4.230 -4.696 1.00 0.00 C ATOM 506 NZ LYS A 32 14.179 -2.862 -4.999 1.00 0.00 N ATOM 0 H LYS A 32 9.196 -6.926 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 32 10.736 -5.263 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.676 -6.736 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.908 -5.782 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.244 -3.787 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.065 -4.816 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.964 -6.214 -4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.029 -5.342 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.271 -4.204 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.353 -4.554 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.776 -2.425 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.199 -2.922 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.208 -2.282 -4.136 1.00 0.00 H new ATOM 520 N MET A 33 8.953 -3.730 -3.758 1.00 0.00 N ATOM 521 CA MET A 33 8.418 -2.422 -4.140 1.00 0.00 C ATOM 522 C MET A 33 7.747 -1.756 -2.946 1.00 0.00 C ATOM 523 O MET A 33 7.892 -0.553 -2.715 1.00 0.00 O ATOM 524 CB MET A 33 7.390 -2.543 -5.274 1.00 0.00 C ATOM 525 CG MET A 33 7.899 -3.248 -6.520 1.00 0.00 C ATOM 526 SD MET A 33 6.720 -3.175 -7.886 1.00 0.00 S ATOM 527 CE MET A 33 5.217 -3.752 -7.101 1.00 0.00 C ATOM 0 H MET A 33 8.600 -4.510 -4.312 1.00 0.00 H new ATOM 0 HA MET A 33 9.258 -1.819 -4.485 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.518 -3.080 -4.900 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.055 -1.543 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.840 -2.794 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.111 -4.290 -6.283 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.797 -4.574 -7.680 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.443 -4.097 -6.092 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.496 -2.936 -7.052 1.00 0.00 H new ATOM 537 N PHE A 34 7.019 -2.560 -2.182 1.00 0.00 N ATOM 538 CA PHE A 34 6.272 -2.060 -1.045 1.00 0.00 C ATOM 539 C PHE A 34 7.227 -1.667 0.074 1.00 0.00 C ATOM 540 O PHE A 34 7.098 -0.602 0.669 1.00 0.00 O ATOM 541 CB PHE A 34 5.296 -3.122 -0.561 1.00 0.00 C ATOM 542 CG PHE A 34 4.099 -2.558 0.143 1.00 0.00 C ATOM 543 CD1 PHE A 34 2.960 -2.228 -0.573 1.00 0.00 C ATOM 544 CD2 PHE A 34 4.107 -2.359 1.512 1.00 0.00 C ATOM 545 CE1 PHE A 34 1.850 -1.711 0.064 1.00 0.00 C ATOM 546 CE2 PHE A 34 3.002 -1.842 2.154 1.00 0.00 C ATOM 547 CZ PHE A 34 1.872 -1.518 1.429 1.00 0.00 C ATOM 0 H PHE A 34 6.933 -3.565 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 34 5.708 -1.177 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.961 -3.712 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.817 -3.803 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.940 -2.377 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.988 -2.611 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.967 -1.459 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.020 -1.690 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.006 -1.113 1.931 1.00 0.00 H new ATOM 557 N ASP A 35 8.188 -2.535 0.341 1.00 0.00 N ATOM 558 CA ASP A 35 9.225 -2.264 1.327 1.00 0.00 C ATOM 559 C ASP A 35 9.990 -0.997 0.947 1.00 0.00 C ATOM 560 O ASP A 35 9.978 -0.001 1.675 1.00 0.00 O ATOM 561 CB ASP A 35 10.183 -3.467 1.394 1.00 0.00 C ATOM 562 CG ASP A 35 11.267 -3.339 2.451 1.00 0.00 C ATOM 563 OD1 ASP A 35 12.215 -2.550 2.254 1.00 0.00 O ATOM 564 OD2 ASP A 35 11.192 -4.058 3.475 1.00 0.00 O ATOM 0 H ASP A 35 8.273 -3.443 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 35 8.769 -2.110 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.603 -4.369 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.654 -3.597 0.420 1.00 0.00 H new ATOM 569 N ASP A 36 10.569 -1.042 -0.248 1.00 0.00 N ATOM 570 CA ASP A 36 11.504 -0.033 -0.743 1.00 0.00 C ATOM 571 C ASP A 36 10.960 1.392 -0.653 1.00 0.00 C ATOM 572 O ASP A 36 11.664 2.304 -0.218 1.00 0.00 O ATOM 573 CB ASP A 36 11.847 -0.337 -2.203 1.00 0.00 C ATOM 574 CG ASP A 36 13.312 -0.132 -2.522 1.00 0.00 C ATOM 575 OD1 ASP A 36 13.809 1.007 -2.385 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.973 -1.111 -2.927 1.00 0.00 O ATOM 0 H ASP A 36 10.399 -1.795 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 36 12.387 -0.083 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.573 -1.368 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.247 0.301 -2.852 1.00 0.00 H new ATOM 581 N ASP A 37 9.720 1.595 -1.076 1.00 0.00 N ATOM 582 CA ASP A 37 9.183 2.950 -1.177 1.00 0.00 C ATOM 583 C ASP A 37 8.095 3.225 -0.145 1.00 0.00 C ATOM 584 O ASP A 37 8.077 4.287 0.471 1.00 0.00 O ATOM 585 CB ASP A 37 8.645 3.216 -2.585 1.00 0.00 C ATOM 586 CG ASP A 37 9.742 3.212 -3.633 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.573 4.148 -3.640 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.787 2.270 -4.455 1.00 0.00 O ATOM 0 H ASP A 37 9.074 0.855 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 37 10.010 3.630 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.903 2.458 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.135 4.179 -2.600 1.00 0.00 H new ATOM 593 N ILE A 38 7.198 2.270 0.052 1.00 0.00 N ATOM 594 CA ILE A 38 6.053 2.471 0.930 1.00 0.00 C ATOM 595 C ILE A 38 6.483 2.552 2.393 1.00 0.00 C ATOM 596 O ILE A 38 5.969 3.381 3.151 1.00 0.00 O ATOM 597 CB ILE A 38 4.987 1.348 0.775 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.229 1.444 -0.557 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.994 1.396 1.926 1.00 0.00 C ATOM 600 CD1 ILE A 38 5.098 1.379 -1.791 1.00 0.00 C ATOM 0 H ILE A 38 7.240 1.349 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 38 5.604 3.418 0.630 1.00 0.00 H new ATOM 0 HB ILE A 38 5.524 0.399 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.499 0.636 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.670 2.380 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.255 0.604 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.523 1.255 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.491 2.363 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.473 1.455 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.811 2.203 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.638 0.432 -1.806 1.00 0.00 H new ATOM 612 N LEU A 39 7.442 1.715 2.792 1.00 0.00 N ATOM 613 CA LEU A 39 7.804 1.619 4.203 1.00 0.00 C ATOM 614 C LEU A 39 8.384 2.926 4.758 1.00 0.00 C ATOM 615 O LEU A 39 7.961 3.366 5.827 1.00 0.00 O ATOM 616 CB LEU A 39 8.751 0.450 4.463 1.00 0.00 C ATOM 617 CG LEU A 39 8.149 -0.935 4.209 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.982 -2.007 4.888 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.704 -0.998 4.682 1.00 0.00 C ATOM 0 H LEU A 39 7.972 1.105 2.170 1.00 0.00 H new ATOM 0 HA LEU A 39 6.875 1.431 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.633 0.568 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.090 0.499 5.498 1.00 0.00 H new ATOM 0 HG LEU A 39 8.158 -1.117 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.541 -2.985 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.997 -1.984 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.007 -1.823 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.301 -1.992 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.662 -0.790 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.113 -0.257 4.145 1.00 0.00 H new ATOM 631 N PRO A 40 9.342 3.579 4.064 1.00 0.00 N ATOM 632 CA PRO A 40 9.855 4.886 4.493 1.00 0.00 C ATOM 633 C PRO A 40 8.743 5.923 4.672 1.00 0.00 C ATOM 634 O PRO A 40 8.873 6.851 5.471 1.00 0.00 O ATOM 635 CB PRO A 40 10.784 5.302 3.350 1.00 0.00 C ATOM 636 CG PRO A 40 11.211 4.021 2.729 1.00 0.00 C ATOM 637 CD PRO A 40 10.036 3.093 2.852 1.00 0.00 C ATOM 0 HA PRO A 40 10.348 4.824 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.268 5.938 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.639 5.868 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.487 4.166 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.086 3.613 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.392 3.141 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.353 2.055 2.959 1.00 0.00 H new ATOM 645 N ILE A 41 7.643 5.748 3.949 1.00 0.00 N ATOM 646 CA ILE A 41 6.551 6.714 3.979 1.00 0.00 C ATOM 647 C ILE A 41 5.552 6.389 5.091 1.00 0.00 C ATOM 648 O ILE A 41 5.394 7.163 6.037 1.00 0.00 O ATOM 649 CB ILE A 41 5.804 6.780 2.627 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.791 6.946 1.462 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.797 7.926 2.628 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.613 8.220 1.516 1.00 0.00 C ATOM 0 H ILE A 41 7.484 4.948 3.336 1.00 0.00 H new ATOM 0 HA ILE A 41 7.003 7.686 4.175 1.00 0.00 H new ATOM 0 HB ILE A 41 5.268 5.840 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.467 6.091 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.235 6.926 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.281 7.957 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.071 7.772 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.319 8.869 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.283 8.257 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.948 9.083 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.199 8.236 2.435 1.00 0.00 H new ATOM 664 N ILE A 42 4.885 5.241 4.991 1.00 0.00 N ATOM 665 CA ILE A 42 3.828 4.900 5.945 1.00 0.00 C ATOM 666 C ILE A 42 4.013 3.513 6.551 1.00 0.00 C ATOM 667 O ILE A 42 3.131 3.023 7.258 1.00 0.00 O ATOM 668 CB ILE A 42 2.430 4.939 5.298 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.327 3.887 4.193 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.129 6.326 4.750 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.909 3.436 3.932 1.00 0.00 C ATOM 0 H ILE A 42 5.053 4.539 4.270 1.00 0.00 H new ATOM 0 HA ILE A 42 3.902 5.656 6.727 1.00 0.00 H new ATOM 0 HB ILE A 42 1.689 4.710 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.748 4.293 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.932 3.022 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.137 6.331 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.161 7.053 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.872 6.589 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.905 2.690 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.492 3.001 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.305 4.291 3.629 1.00 0.00 H new ATOM 683 N GLY A 43 5.149 2.885 6.289 1.00 0.00 N ATOM 684 CA GLY A 43 5.367 1.528 6.761 1.00 0.00 C ATOM 685 C GLY A 43 5.338 1.419 8.270 1.00 0.00 C ATOM 686 O GLY A 43 4.803 0.452 8.826 1.00 0.00 O ATOM 0 H GLY A 43 5.923 3.286 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.603 0.875 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.329 1.171 6.394 1.00 0.00 H new ATOM 690 N GLY A 44 5.900 2.417 8.933 1.00 0.00 N ATOM 691 CA GLY A 44 5.952 2.410 10.377 1.00 0.00 C ATOM 692 C GLY A 44 4.734 3.060 10.999 1.00 0.00 C ATOM 693 O GLY A 44 4.701 3.295 12.206 1.00 0.00 O ATOM 0 H GLY A 44 6.323 3.235 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.033 1.382 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.849 2.933 10.709 1.00 0.00 H new ATOM 697 N LEU A 45 3.734 3.363 10.181 1.00 0.00 N ATOM 698 CA LEU A 45 2.507 3.958 10.680 1.00 0.00 C ATOM 699 C LEU A 45 1.474 2.872 10.944 1.00 0.00 C ATOM 700 O LEU A 45 1.555 1.777 10.382 1.00 0.00 O ATOM 701 CB LEU A 45 1.960 4.977 9.676 1.00 0.00 C ATOM 702 CG LEU A 45 2.815 6.233 9.491 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.295 7.067 8.331 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.827 7.059 10.769 1.00 0.00 C ATOM 0 H LEU A 45 3.751 3.206 9.173 1.00 0.00 H new ATOM 0 HA LEU A 45 2.723 4.476 11.614 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.849 4.487 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.963 5.279 9.996 1.00 0.00 H new ATOM 0 HG LEU A 45 3.835 5.924 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.915 7.956 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.330 6.478 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.266 7.366 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.439 7.949 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.809 7.357 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.242 6.464 11.583 1.00 0.00 H new ATOM 716 N GLU A 46 0.517 3.165 11.809 1.00 0.00 N ATOM 717 CA GLU A 46 -0.566 2.237 12.069 1.00 0.00 C ATOM 718 C GLU A 46 -1.610 2.366 10.978 1.00 0.00 C ATOM 719 O GLU A 46 -1.921 3.471 10.539 1.00 0.00 O ATOM 720 CB GLU A 46 -1.210 2.495 13.429 1.00 0.00 C ATOM 721 CG GLU A 46 -0.295 2.221 14.609 1.00 0.00 C ATOM 722 CD GLU A 46 -1.035 2.283 15.927 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.176 3.390 16.483 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.490 1.228 16.405 1.00 0.00 O ATOM 0 H GLU A 46 0.470 4.035 12.340 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.155 1.227 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.540 3.533 13.472 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.101 1.873 13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.159 1.237 14.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.517 2.948 14.615 1.00 0.00 H new ATOM 731 N ILE A 47 -2.165 1.243 10.562 1.00 0.00 N ATOM 732 CA ILE A 47 -3.133 1.222 9.474 1.00 0.00 C ATOM 733 C ILE A 47 -4.421 1.953 9.867 1.00 0.00 C ATOM 734 O ILE A 47 -5.261 2.268 9.025 1.00 0.00 O ATOM 735 CB ILE A 47 -3.448 -0.231 9.063 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.092 -0.272 7.680 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.355 -0.891 10.095 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.161 -1.659 7.088 1.00 0.00 C ATOM 0 H ILE A 47 -1.962 0.327 10.962 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.694 1.742 8.623 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.511 -0.787 9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.100 0.137 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.529 0.374 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.568 -1.916 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.858 -0.897 11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.289 -0.333 10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.630 -1.612 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.154 -2.063 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.749 -2.304 7.740 1.00 0.00 H new ATOM 750 N GLN A 48 -4.559 2.233 11.156 1.00 0.00 N ATOM 751 CA GLN A 48 -5.730 2.925 11.668 1.00 0.00 C ATOM 752 C GLN A 48 -5.523 4.431 11.646 1.00 0.00 C ATOM 753 O GLN A 48 -6.477 5.198 11.789 1.00 0.00 O ATOM 754 CB GLN A 48 -6.024 2.488 13.101 1.00 0.00 C ATOM 755 CG GLN A 48 -6.224 0.994 13.266 1.00 0.00 C ATOM 756 CD GLN A 48 -6.560 0.613 14.695 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.138 1.273 15.646 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.311 -0.460 14.856 1.00 0.00 N ATOM 0 H GLN A 48 -3.870 1.989 11.868 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.572 2.669 11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.202 2.806 13.742 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.918 3.004 13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.025 0.662 12.606 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.319 0.472 12.956 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.640 -0.979 14.042 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.562 -0.770 15.795 1.00 0.00 H new ATOM 767 N ASP A 49 -4.281 4.855 11.475 1.00 0.00 N ATOM 768 CA ASP A 49 -3.949 6.269 11.551 1.00 0.00 C ATOM 769 C ASP A 49 -2.937 6.640 10.478 1.00 0.00 C ATOM 770 O ASP A 49 -1.727 6.646 10.717 1.00 0.00 O ATOM 771 CB ASP A 49 -3.409 6.613 12.943 1.00 0.00 C ATOM 772 CG ASP A 49 -3.243 8.103 13.158 1.00 0.00 C ATOM 773 OD1 ASP A 49 -4.231 8.767 13.532 1.00 0.00 O ATOM 774 OD2 ASP A 49 -2.120 8.615 12.978 1.00 0.00 O ATOM 0 H ASP A 49 -3.488 4.243 11.283 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.856 6.848 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.086 6.215 13.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.447 6.121 13.086 1.00 0.00 H new ATOM 779 N ILE A 50 -3.443 6.893 9.280 1.00 0.00 N ATOM 780 CA ILE A 50 -2.611 7.318 8.161 1.00 0.00 C ATOM 781 C ILE A 50 -3.265 8.494 7.447 1.00 0.00 C ATOM 782 O ILE A 50 -4.460 8.453 7.139 1.00 0.00 O ATOM 783 CB ILE A 50 -2.372 6.169 7.150 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.560 5.049 7.804 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.661 6.679 5.903 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.342 3.851 6.909 1.00 0.00 C ATOM 0 H ILE A 50 -4.435 6.811 9.056 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.644 7.617 8.565 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.342 5.773 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.591 5.445 8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.070 4.725 8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.505 5.853 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.271 7.445 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.697 7.105 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.759 3.100 7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.306 3.428 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.804 4.159 6.013 1.00 0.00 H new ATOM 798 N GLU A 51 -2.492 9.541 7.205 1.00 0.00 N ATOM 799 CA GLU A 51 -3.007 10.718 6.525 1.00 0.00 C ATOM 800 C GLU A 51 -3.126 10.460 5.028 1.00 0.00 C ATOM 801 O GLU A 51 -2.251 9.833 4.428 1.00 0.00 O ATOM 802 CB GLU A 51 -2.103 11.925 6.771 1.00 0.00 C ATOM 803 CG GLU A 51 -1.956 12.290 8.237 1.00 0.00 C ATOM 804 CD GLU A 51 -1.240 13.610 8.430 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.000 13.614 8.530 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.920 14.654 8.476 1.00 0.00 O ATOM 0 H GLU A 51 -1.508 9.600 7.469 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.996 10.934 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.116 11.719 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.503 12.783 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.943 12.344 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.407 11.502 8.752 1.00 0.00 H new ATOM 813 N PRO A 52 -4.222 10.931 4.408 1.00 0.00 N ATOM 814 CA PRO A 52 -4.437 10.795 2.968 1.00 0.00 C ATOM 815 C PRO A 52 -3.271 11.349 2.153 1.00 0.00 C ATOM 816 O PRO A 52 -2.894 10.779 1.130 1.00 0.00 O ATOM 817 CB PRO A 52 -5.714 11.605 2.697 1.00 0.00 C ATOM 818 CG PRO A 52 -5.968 12.393 3.941 1.00 0.00 C ATOM 819 CD PRO A 52 -5.345 11.617 5.064 1.00 0.00 C ATOM 0 HA PRO A 52 -4.522 9.748 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.585 12.262 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.554 10.947 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.531 13.389 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.037 12.526 4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.005 12.271 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.048 10.910 5.505 1.00 0.00 H new ATOM 827 N MET A 53 -2.689 12.452 2.620 1.00 0.00 N ATOM 828 CA MET A 53 -1.556 13.067 1.932 1.00 0.00 C ATOM 829 C MET A 53 -0.316 12.179 2.005 1.00 0.00 C ATOM 830 O MET A 53 0.512 12.191 1.101 1.00 0.00 O ATOM 831 CB MET A 53 -1.247 14.449 2.507 1.00 0.00 C ATOM 832 CG MET A 53 -2.284 15.503 2.153 1.00 0.00 C ATOM 833 SD MET A 53 -2.457 15.741 0.372 1.00 0.00 S ATOM 834 CE MET A 53 -0.795 16.253 -0.066 1.00 0.00 C ATOM 0 H MET A 53 -2.982 12.936 3.468 1.00 0.00 H new ATOM 0 HA MET A 53 -1.836 13.182 0.885 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.174 14.374 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.272 14.774 2.144 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.248 15.213 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.006 16.450 2.617 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.843 17.050 -0.808 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.280 16.616 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.250 15.405 -0.480 1.00 0.00 H new ATOM 844 N GLN A 54 -0.198 11.404 3.076 1.00 0.00 N ATOM 845 CA GLN A 54 0.919 10.474 3.223 1.00 0.00 C ATOM 846 C GLN A 54 0.736 9.275 2.313 1.00 0.00 C ATOM 847 O GLN A 54 1.697 8.757 1.748 1.00 0.00 O ATOM 848 CB GLN A 54 1.058 10.021 4.670 1.00 0.00 C ATOM 849 CG GLN A 54 1.792 11.025 5.529 1.00 0.00 C ATOM 850 CD GLN A 54 1.758 10.678 7.003 1.00 0.00 C ATOM 851 OE1 GLN A 54 0.820 10.041 7.484 1.00 0.00 O ATOM 852 NE2 GLN A 54 2.775 11.108 7.731 1.00 0.00 N ATOM 0 H GLN A 54 -0.858 11.399 3.854 1.00 0.00 H new ATOM 0 HA GLN A 54 1.833 10.994 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.067 9.847 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.588 9.069 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.829 11.087 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.351 12.011 5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.531 11.632 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.803 10.915 8.732 1.00 0.00 H new ATOM 861 N LEU A 55 -0.504 8.842 2.166 1.00 0.00 N ATOM 862 CA LEU A 55 -0.815 7.766 1.245 1.00 0.00 C ATOM 863 C LEU A 55 -0.573 8.245 -0.185 1.00 0.00 C ATOM 864 O LEU A 55 -0.093 7.497 -1.038 1.00 0.00 O ATOM 865 CB LEU A 55 -2.265 7.305 1.435 1.00 0.00 C ATOM 866 CG LEU A 55 -2.615 5.969 0.775 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.725 4.860 1.314 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.080 5.632 1.006 1.00 0.00 C ATOM 0 H LEU A 55 -1.307 9.217 2.670 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.167 6.912 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.468 7.229 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.929 8.073 1.038 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.444 6.058 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.987 3.917 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.682 5.096 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.867 4.771 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.314 4.679 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.272 5.560 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.705 6.415 0.577 1.00 0.00 H new ATOM 880 N LEU A 56 -0.883 9.517 -0.426 1.00 0.00 N ATOM 881 CA LEU A 56 -0.619 10.148 -1.712 1.00 0.00 C ATOM 882 C LEU A 56 0.884 10.322 -1.905 1.00 0.00 C ATOM 883 O LEU A 56 1.380 10.194 -3.011 1.00 0.00 O ATOM 884 CB LEU A 56 -1.378 11.494 -1.807 1.00 0.00 C ATOM 885 CG LEU A 56 -1.199 12.329 -3.094 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.005 13.262 -2.974 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.058 11.448 -4.331 1.00 0.00 C ATOM 0 H LEU A 56 -1.320 10.133 0.260 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.983 9.510 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.442 11.289 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.074 12.111 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.102 12.927 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.100 13.839 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.157 13.941 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.899 12.676 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.934 12.076 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.187 10.802 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.952 10.835 -4.445 1.00 0.00 H new ATOM 899 N GLU A 57 1.608 10.585 -0.822 1.00 0.00 N ATOM 900 CA GLU A 57 3.062 10.720 -0.888 1.00 0.00 C ATOM 901 C GLU A 57 3.693 9.416 -1.374 1.00 0.00 C ATOM 902 O GLU A 57 4.709 9.425 -2.068 1.00 0.00 O ATOM 903 CB GLU A 57 3.628 11.115 0.479 1.00 0.00 C ATOM 904 CG GLU A 57 5.106 11.471 0.452 1.00 0.00 C ATOM 905 CD GLU A 57 5.618 11.932 1.801 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.252 13.045 2.229 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.398 11.194 2.436 1.00 0.00 O ATOM 0 H GLU A 57 1.214 10.709 0.111 1.00 0.00 H new ATOM 0 HA GLU A 57 3.305 11.509 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.066 11.967 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.475 10.292 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.679 10.603 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.273 12.257 -0.284 1.00 0.00 H new ATOM 914 N VAL A 58 3.070 8.300 -1.016 1.00 0.00 N ATOM 915 CA VAL A 58 3.488 6.990 -1.500 1.00 0.00 C ATOM 916 C VAL A 58 3.298 6.890 -3.015 1.00 0.00 C ATOM 917 O VAL A 58 4.235 6.583 -3.762 1.00 0.00 O ATOM 918 CB VAL A 58 2.685 5.870 -0.807 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.975 4.518 -1.438 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.989 5.840 0.683 1.00 0.00 C ATOM 0 H VAL A 58 2.267 8.277 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 58 4.545 6.868 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 58 1.624 6.083 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.395 3.747 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.700 4.542 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.038 4.293 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.414 5.044 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.053 5.658 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.718 6.797 1.129 1.00 0.00 H new ATOM 930 N ILE A 59 2.080 7.162 -3.460 1.00 0.00 N ATOM 931 CA ILE A 59 1.763 7.165 -4.886 1.00 0.00 C ATOM 932 C ILE A 59 2.644 8.179 -5.616 1.00 0.00 C ATOM 933 O ILE A 59 3.180 7.908 -6.692 1.00 0.00 O ATOM 934 CB ILE A 59 0.259 7.484 -5.130 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.605 6.221 -5.024 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.037 8.154 -6.481 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.629 5.594 -3.648 1.00 0.00 C ATOM 0 H ILE A 59 1.290 7.385 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 59 1.962 6.168 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.045 8.180 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.626 6.468 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.239 5.484 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.025 8.361 -6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.596 9.089 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.380 7.492 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.263 4.707 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.383 5.311 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.025 6.311 -2.928 1.00 0.00 H new ATOM 949 N ARG A 60 2.818 9.332 -4.989 1.00 0.00 N ATOM 950 CA ARG A 60 3.616 10.412 -5.542 1.00 0.00 C ATOM 951 C ARG A 60 5.082 10.006 -5.616 1.00 0.00 C ATOM 952 O ARG A 60 5.818 10.462 -6.488 1.00 0.00 O ATOM 953 CB ARG A 60 3.464 11.663 -4.679 1.00 0.00 C ATOM 954 CG ARG A 60 3.719 12.949 -5.432 1.00 0.00 C ATOM 955 CD ARG A 60 2.711 13.136 -6.552 1.00 0.00 C ATOM 956 NE ARG A 60 2.905 14.400 -7.249 1.00 0.00 N ATOM 957 CZ ARG A 60 2.291 14.727 -8.386 1.00 0.00 C ATOM 958 NH1 ARG A 60 1.438 13.884 -8.950 1.00 0.00 N ATOM 959 NH2 ARG A 60 2.540 15.898 -8.958 1.00 0.00 N ATOM 0 H ARG A 60 2.408 9.544 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 60 3.263 10.627 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.457 11.688 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.154 11.601 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.664 13.793 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.728 12.939 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.799 12.313 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.702 13.098 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 60 3.551 15.077 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.249 12.981 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.970 14.138 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.200 16.546 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.071 16.150 -9.828 1.00 0.00 H new ATOM 973 N ARG A 61 5.496 9.148 -4.690 1.00 0.00 N ATOM 974 CA ARG A 61 6.842 8.598 -4.699 1.00 0.00 C ATOM 975 C ARG A 61 7.080 7.845 -6.007 1.00 0.00 C ATOM 976 O ARG A 61 8.132 7.981 -6.636 1.00 0.00 O ATOM 977 CB ARG A 61 7.048 7.662 -3.498 1.00 0.00 C ATOM 978 CG ARG A 61 8.424 7.021 -3.454 1.00 0.00 C ATOM 979 CD ARG A 61 9.515 8.072 -3.368 1.00 0.00 C ATOM 980 NE ARG A 61 10.785 7.580 -3.891 1.00 0.00 N ATOM 981 CZ ARG A 61 11.481 8.205 -4.836 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.044 9.356 -5.327 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.614 7.683 -5.278 1.00 0.00 N ATOM 0 H ARG A 61 4.913 8.818 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 61 7.560 9.415 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.889 8.225 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.292 6.877 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.490 6.353 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.573 6.410 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.211 8.958 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.644 8.378 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 61 11.159 6.710 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.175 9.761 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.577 9.836 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.953 6.801 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.148 8.162 -6.003 1.00 0.00 H new ATOM 997 N PHE A 62 6.085 7.070 -6.423 1.00 0.00 N ATOM 998 CA PHE A 62 6.166 6.348 -7.690 1.00 0.00 C ATOM 999 C PHE A 62 6.014 7.290 -8.880 1.00 0.00 C ATOM 1000 O PHE A 62 6.539 7.018 -9.962 1.00 0.00 O ATOM 1001 CB PHE A 62 5.120 5.239 -7.756 1.00 0.00 C ATOM 1002 CG PHE A 62 5.440 4.075 -6.864 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.298 3.074 -7.295 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.891 3.981 -5.598 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.597 2.000 -6.479 1.00 0.00 C ATOM 1006 CE2 PHE A 62 5.188 2.911 -4.779 1.00 0.00 C ATOM 1007 CZ PHE A 62 6.042 1.920 -5.219 1.00 0.00 C ATOM 0 H PHE A 62 5.218 6.925 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 62 7.156 5.895 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.148 5.647 -7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.035 4.888 -8.785 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.737 3.135 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.223 4.753 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.264 1.225 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.752 2.849 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.275 1.083 -4.577 1.00 0.00 H new ATOM 1017 N GLU A 63 5.304 8.393 -8.682 1.00 0.00 N ATOM 1018 CA GLU A 63 5.176 9.403 -9.725 1.00 0.00 C ATOM 1019 C GLU A 63 6.495 10.142 -9.925 1.00 0.00 C ATOM 1020 O GLU A 63 6.834 10.520 -11.044 1.00 0.00 O ATOM 1021 CB GLU A 63 4.061 10.400 -9.409 1.00 0.00 C ATOM 1022 CG GLU A 63 2.669 9.797 -9.472 1.00 0.00 C ATOM 1023 CD GLU A 63 1.591 10.857 -9.564 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.266 11.277 -10.700 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.089 11.296 -8.510 1.00 0.00 O ATOM 0 H GLU A 63 4.811 8.611 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 63 4.915 8.885 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.225 10.811 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.119 11.232 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.600 9.135 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.500 9.185 -8.586 1.00 0.00 H new ATOM 1032 N ASP A 64 7.233 10.342 -8.838 1.00 0.00 N ATOM 1033 CA ASP A 64 8.581 10.906 -8.916 1.00 0.00 C ATOM 1034 C ASP A 64 9.480 9.977 -9.717 1.00 0.00 C ATOM 1035 O ASP A 64 10.289 10.420 -10.533 1.00 0.00 O ATOM 1036 CB ASP A 64 9.166 11.122 -7.516 1.00 0.00 C ATOM 1037 CG ASP A 64 10.606 11.604 -7.550 1.00 0.00 C ATOM 1038 OD1 ASP A 64 10.827 12.830 -7.601 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.526 10.756 -7.508 1.00 0.00 O ATOM 0 H ASP A 64 6.923 10.123 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 64 8.523 11.874 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.556 11.850 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.113 10.188 -6.957 1.00 0.00 H new ATOM 1044 N ARG A 65 9.315 8.681 -9.479 1.00 0.00 N ATOM 1045 CA ARG A 65 10.008 7.658 -10.253 1.00 0.00 C ATOM 1046 C ARG A 65 9.543 7.684 -11.707 1.00 0.00 C ATOM 1047 O ARG A 65 10.293 7.334 -12.617 1.00 0.00 O ATOM 1048 CB ARG A 65 9.763 6.281 -9.626 1.00 0.00 C ATOM 1049 CG ARG A 65 10.141 5.106 -10.516 1.00 0.00 C ATOM 1050 CD ARG A 65 10.150 3.805 -9.733 1.00 0.00 C ATOM 1051 NE ARG A 65 11.268 3.757 -8.801 1.00 0.00 N ATOM 1052 CZ ARG A 65 11.185 3.342 -7.538 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.026 2.934 -7.035 1.00 0.00 N ATOM 1054 NH2 ARG A 65 12.270 3.337 -6.778 1.00 0.00 N ATOM 0 H ARG A 65 8.703 8.312 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 65 11.079 7.863 -10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.329 6.213 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.708 6.198 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.435 5.031 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.125 5.278 -10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.213 3.701 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.212 2.963 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 65 12.180 4.063 -9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.188 2.936 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.973 2.618 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.162 3.650 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.213 3.020 -5.810 1.00 0.00 H new ATOM 1068 N GLY A 66 8.306 8.107 -11.915 1.00 0.00 N ATOM 1069 CA GLY A 66 7.770 8.213 -13.255 1.00 0.00 C ATOM 1070 C GLY A 66 7.109 6.933 -13.708 1.00 0.00 C ATOM 1071 O GLY A 66 7.054 6.639 -14.903 1.00 0.00 O ATOM 0 H GLY A 66 7.660 8.380 -11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.046 9.027 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.573 8.470 -13.946 1.00 0.00 H new ATOM 1075 N ALA A 67 6.604 6.170 -12.750 1.00 0.00 N ATOM 1076 CA ALA A 67 5.957 4.903 -13.041 1.00 0.00 C ATOM 1077 C ALA A 67 4.461 4.990 -12.758 1.00 0.00 C ATOM 1078 O ALA A 67 4.024 4.804 -11.624 1.00 0.00 O ATOM 1079 CB ALA A 67 6.599 3.788 -12.226 1.00 0.00 C ATOM 0 H ALA A 67 6.631 6.410 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 67 6.088 4.676 -14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.106 2.842 -12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.657 3.715 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.494 4.007 -11.163 1.00 0.00 H new ATOM 1085 N MET A 68 3.686 5.292 -13.795 1.00 0.00 N ATOM 1086 CA MET A 68 2.239 5.462 -13.661 1.00 0.00 C ATOM 1087 C MET A 68 1.564 4.165 -13.247 1.00 0.00 C ATOM 1088 O MET A 68 0.794 4.132 -12.284 1.00 0.00 O ATOM 1089 CB MET A 68 1.629 5.958 -14.977 1.00 0.00 C ATOM 1090 CG MET A 68 1.983 7.394 -15.340 1.00 0.00 C ATOM 1091 SD MET A 68 1.177 8.619 -14.285 1.00 0.00 S ATOM 1092 CE MET A 68 2.170 8.539 -12.794 1.00 0.00 C ATOM 0 H MET A 68 4.036 5.425 -14.744 1.00 0.00 H new ATOM 0 HA MET A 68 2.070 6.205 -12.882 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.957 5.302 -15.784 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.544 5.870 -14.915 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.063 7.522 -15.273 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.704 7.578 -16.377 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.606 8.036 -12.008 1.00 0.00 H new ATOM 0 HE2 MET A 68 3.086 7.983 -12.996 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.422 9.549 -12.470 1.00 0.00 H new ATOM 1102 N GLU A 69 1.863 3.101 -13.982 1.00 0.00 N ATOM 1103 CA GLU A 69 1.300 1.783 -13.709 1.00 0.00 C ATOM 1104 C GLU A 69 1.576 1.368 -12.271 1.00 0.00 C ATOM 1105 O GLU A 69 0.677 0.947 -11.546 1.00 0.00 O ATOM 1106 CB GLU A 69 1.908 0.748 -14.656 1.00 0.00 C ATOM 1107 CG GLU A 69 1.616 1.004 -16.124 1.00 0.00 C ATOM 1108 CD GLU A 69 2.388 0.070 -17.033 1.00 0.00 C ATOM 1109 OE1 GLU A 69 2.449 -1.143 -16.739 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.956 0.550 -18.036 1.00 0.00 O ATOM 0 H GLU A 69 2.498 3.126 -14.779 1.00 0.00 H new ATOM 0 HA GLU A 69 0.222 1.835 -13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.988 0.727 -14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.531 -0.239 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.548 0.885 -16.306 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.868 2.036 -16.368 1.00 0.00 H new ATOM 1117 N ARG A 70 2.825 1.518 -11.864 1.00 0.00 N ATOM 1118 CA ARG A 70 3.279 1.047 -10.567 1.00 0.00 C ATOM 1119 C ARG A 70 2.757 1.938 -9.436 1.00 0.00 C ATOM 1120 O ARG A 70 2.664 1.501 -8.285 1.00 0.00 O ATOM 1121 CB ARG A 70 4.809 0.971 -10.565 1.00 0.00 C ATOM 1122 CG ARG A 70 5.393 0.222 -9.381 1.00 0.00 C ATOM 1123 CD ARG A 70 6.803 -0.270 -9.680 1.00 0.00 C ATOM 1124 NE ARG A 70 6.810 -1.292 -10.732 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.890 -1.993 -11.093 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.057 -1.784 -10.492 1.00 0.00 N ATOM 1127 NH2 ARG A 70 7.791 -2.916 -12.046 1.00 0.00 N ATOM 0 H ARG A 70 3.551 1.968 -12.422 1.00 0.00 H new ATOM 0 HA ARG A 70 2.877 0.050 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.139 0.488 -11.485 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.212 1.984 -10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.410 0.874 -8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.754 -0.626 -9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.425 0.571 -9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.246 -0.680 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 70 5.934 -1.480 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.132 -1.086 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.878 -2.321 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.893 -3.087 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.613 -3.452 -12.324 1.00 0.00 H new ATOM 1141 N ALA A 71 2.394 3.174 -9.770 1.00 0.00 N ATOM 1142 CA ALA A 71 1.812 4.085 -8.795 1.00 0.00 C ATOM 1143 C ALA A 71 0.422 3.610 -8.389 1.00 0.00 C ATOM 1144 O ALA A 71 0.089 3.567 -7.205 1.00 0.00 O ATOM 1145 CB ALA A 71 1.751 5.501 -9.352 1.00 0.00 C ATOM 0 H ALA A 71 2.493 3.565 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 71 2.448 4.094 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.313 6.166 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.758 5.840 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.138 5.511 -10.253 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.381 3.236 -9.377 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.722 2.721 -9.113 1.00 0.00 C ATOM 1153 C ASN A 72 -1.653 1.351 -8.451 1.00 0.00 C ATOM 1154 O ASN A 72 -2.513 0.994 -7.646 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.538 2.636 -10.405 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.003 3.996 -10.893 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.265 4.899 -10.101 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -3.111 4.149 -12.201 1.00 0.00 N ATOM 0 H ASN A 72 -0.130 3.279 -10.365 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.217 3.414 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.936 2.163 -11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.406 1.997 -10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.421 5.041 -12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.884 3.375 -12.825 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.621 0.590 -8.786 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.424 -0.723 -8.190 1.00 0.00 C ATOM 1167 C LYS A 73 -0.070 -0.593 -6.712 1.00 0.00 C ATOM 1168 O LYS A 73 -0.446 -1.436 -5.903 1.00 0.00 O ATOM 1169 CB LYS A 73 0.651 -1.498 -8.949 1.00 0.00 C ATOM 1170 CG LYS A 73 0.238 -1.822 -10.373 1.00 0.00 C ATOM 1171 CD LYS A 73 1.353 -2.484 -11.160 1.00 0.00 C ATOM 1172 CE LYS A 73 0.937 -2.699 -12.605 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.984 -3.397 -13.393 1.00 0.00 N ATOM 0 H LYS A 73 0.091 0.858 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.357 -1.282 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.572 -0.915 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.870 -2.424 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.631 -2.479 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.065 -0.905 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.249 -1.864 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.608 -3.440 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.016 -3.281 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.720 -1.735 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.656 -3.522 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.856 -2.831 -13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.174 -4.328 -12.970 1.00 0.00 H new ATOM 1187 N ALA A 74 0.660 0.462 -6.365 1.00 0.00 N ATOM 1188 CA ALA A 74 0.886 0.803 -4.966 1.00 0.00 C ATOM 1189 C ALA A 74 -0.445 1.050 -4.267 1.00 0.00 C ATOM 1190 O ALA A 74 -0.744 0.436 -3.241 1.00 0.00 O ATOM 1191 CB ALA A 74 1.775 2.033 -4.853 1.00 0.00 C ATOM 0 H ALA A 74 1.104 1.094 -7.032 1.00 0.00 H new ATOM 0 HA ALA A 74 1.391 -0.033 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.933 2.273 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.736 1.832 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.294 2.876 -5.349 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.243 1.928 -4.863 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.554 2.294 -4.337 1.00 0.00 C ATOM 1199 C ARG A 75 -3.435 1.065 -4.108 1.00 0.00 C ATOM 1200 O ARG A 75 -4.001 0.892 -3.027 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.246 3.251 -5.311 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.654 3.649 -4.903 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.344 4.411 -6.021 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.702 4.827 -5.665 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.667 5.044 -6.561 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.438 4.839 -7.854 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.868 5.453 -6.166 1.00 0.00 N ATOM 0 H ARG A 75 -0.998 2.409 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.407 2.782 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.640 4.152 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.284 2.784 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.231 2.758 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.617 4.266 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.753 5.291 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.382 3.785 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.923 4.958 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.522 4.515 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.178 5.006 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.055 5.602 -5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.603 5.618 -6.854 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.543 0.218 -5.127 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.421 -0.947 -5.068 1.00 0.00 C ATOM 1223 C ARG A 76 -3.974 -1.918 -3.978 1.00 0.00 C ATOM 1224 O ARG A 76 -4.804 -2.542 -3.316 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.460 -1.665 -6.418 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.718 -2.496 -6.622 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.680 -3.275 -7.927 1.00 0.00 C ATOM 1228 NE ARG A 76 -4.918 -4.518 -7.805 1.00 0.00 N ATOM 1229 CZ ARG A 76 -4.662 -5.341 -8.822 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.011 -5.005 -10.060 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -4.048 -6.497 -8.597 1.00 0.00 N ATOM 0 H ARG A 76 -3.033 0.316 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.423 -0.592 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.387 -0.927 -7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.587 -2.313 -6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.834 -3.189 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.590 -1.842 -6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.698 -3.504 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.238 -2.654 -8.706 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.560 -4.771 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.477 -4.114 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.813 -5.638 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.774 -6.753 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.851 -7.129 -9.373 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.663 -2.040 -3.795 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.122 -2.914 -2.761 1.00 0.00 C ATOM 1247 C ARG A 77 -2.422 -2.356 -1.379 1.00 0.00 C ATOM 1248 O ARG A 77 -2.950 -3.063 -0.525 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.616 -3.102 -2.931 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.234 -3.919 -4.153 1.00 0.00 C ATOM 1251 CD ARG A 77 1.274 -4.034 -4.293 1.00 0.00 C ATOM 1252 NE ARG A 77 1.911 -2.728 -4.469 1.00 0.00 N ATOM 1253 CZ ARG A 77 3.185 -2.478 -4.168 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.950 -3.442 -3.664 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.696 -1.268 -4.375 1.00 0.00 N ATOM 0 H ARG A 77 -1.960 -1.548 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.604 -3.886 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.142 -2.123 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.217 -3.589 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.671 -4.915 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.650 -3.455 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.684 -4.521 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.511 -4.671 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 77 1.347 -1.965 -4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.562 -4.372 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.925 -3.251 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.113 -0.528 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.671 -1.080 -4.144 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.094 -1.085 -1.168 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.366 -0.430 0.105 1.00 0.00 C ATOM 1271 C CYS A 78 -3.852 -0.508 0.437 1.00 0.00 C ATOM 1272 O CYS A 78 -4.231 -0.842 1.560 1.00 0.00 O ATOM 1273 CB CYS A 78 -1.911 1.030 0.062 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.139 1.243 -0.238 1.00 0.00 S ATOM 0 H CYS A 78 -1.640 -0.490 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.807 -0.947 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.466 1.549 -0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.169 1.508 1.007 1.00 0.00 H new ATOM 0 HG CYS A 78 0.501 0.191 0.179 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.688 -0.224 -0.559 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.125 -0.299 -0.377 1.00 0.00 C ATOM 1282 C GLY A 79 -6.593 -1.690 0.005 1.00 0.00 C ATOM 1283 O GLY A 79 -7.538 -1.840 0.782 1.00 0.00 O ATOM 0 H GLY A 79 -4.392 0.058 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.427 0.407 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.621 0.007 -1.298 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.929 -2.712 -0.527 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.292 -4.088 -0.223 1.00 0.00 C ATOM 1289 C GLU A 80 -5.817 -4.465 1.177 1.00 0.00 C ATOM 1290 O GLU A 80 -6.469 -5.244 1.867 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.715 -5.053 -1.264 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.332 -6.443 -1.193 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.845 -7.367 -2.290 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.129 -7.094 -3.477 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.203 -8.385 -1.970 1.00 0.00 O ATOM 0 H GLU A 80 -5.141 -2.612 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.379 -4.168 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.874 -4.641 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.637 -5.132 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.102 -6.887 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.417 -6.356 -1.255 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.689 -3.900 1.598 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.207 -4.093 2.961 1.00 0.00 C ATOM 1304 C VAL A 81 -5.190 -3.465 3.948 1.00 0.00 C ATOM 1305 O VAL A 81 -5.509 -4.053 4.983 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.796 -3.494 3.171 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.321 -3.708 4.602 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.803 -4.101 2.190 1.00 0.00 C ATOM 0 H VAL A 81 -4.095 -3.308 1.018 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.136 -5.166 3.137 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.857 -2.421 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.327 -3.278 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.013 -3.224 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.283 -4.776 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.817 -3.666 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.754 -5.179 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.126 -3.893 1.170 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.688 -2.277 3.608 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.744 -1.640 4.389 1.00 0.00 C ATOM 1320 C PHE A 82 -7.983 -2.533 4.431 1.00 0.00 C ATOM 1321 O PHE A 82 -8.584 -2.737 5.485 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.118 -0.276 3.801 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.154 0.835 4.123 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -6.077 1.355 5.404 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.341 1.374 3.139 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -5.206 2.387 5.700 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.467 2.404 3.429 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.399 2.911 4.710 1.00 0.00 C ATOM 0 H PHE A 82 -5.378 -1.739 2.799 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.367 -1.492 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.193 -0.371 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.107 0.003 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.706 0.949 6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.391 0.984 2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.157 2.783 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.837 2.812 2.653 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.716 3.716 4.938 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.351 -3.067 3.269 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.476 -3.988 3.156 1.00 0.00 C ATOM 1340 C ARG A 83 -9.250 -5.220 4.034 1.00 0.00 C ATOM 1341 O ARG A 83 -10.147 -5.657 4.752 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.662 -4.398 1.691 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.785 -5.396 1.458 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.905 -5.757 -0.016 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.921 -6.778 -0.248 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.182 -7.327 -1.436 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -11.537 -6.923 -2.528 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -13.104 -8.273 -1.528 1.00 0.00 N ATOM 0 H ARG A 83 -7.880 -2.874 2.385 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.381 -3.488 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.857 -3.505 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.729 -4.827 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.600 -6.298 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.727 -4.976 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.152 -4.863 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.942 -6.114 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.469 -7.094 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.835 -6.186 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.745 -7.350 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.608 -8.576 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.310 -8.698 -2.432 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.035 -5.756 3.976 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.641 -6.909 4.780 1.00 0.00 C ATOM 1364 C TYR A 84 -7.811 -6.601 6.263 1.00 0.00 C ATOM 1365 O TYR A 84 -8.246 -7.450 7.041 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.181 -7.269 4.475 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.712 -8.586 5.056 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.868 -9.769 4.344 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.089 -8.647 6.298 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.424 -10.973 4.853 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.637 -9.848 6.810 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.807 -11.007 6.084 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.357 -12.202 6.589 1.00 0.00 O ATOM 0 H TYR A 84 -7.295 -5.403 3.370 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.279 -7.757 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.048 -7.298 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.540 -6.473 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.345 -9.746 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.956 -7.741 6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.560 -11.884 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.153 -9.878 7.775 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.289 -12.140 7.565 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.471 -5.377 6.644 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.607 -4.938 8.025 1.00 0.00 C ATOM 1385 C ALA A 85 -9.074 -4.828 8.423 1.00 0.00 C ATOM 1386 O ALA A 85 -9.436 -5.129 9.555 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.896 -3.616 8.237 1.00 0.00 C ATOM 0 H ALA A 85 -7.098 -4.668 6.013 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.140 -5.688 8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.009 -3.304 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.837 -3.731 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.330 -2.860 7.582 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.916 -4.398 7.494 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.352 -4.340 7.741 1.00 0.00 C ATOM 1395 C ILE A 86 -11.897 -5.745 7.998 1.00 0.00 C ATOM 1396 O ILE A 86 -12.694 -5.958 8.914 1.00 0.00 O ATOM 1397 CB ILE A 86 -12.109 -3.694 6.557 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.617 -2.260 6.328 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.612 -3.706 6.808 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.243 -1.582 5.127 1.00 0.00 C ATOM 0 H ILE A 86 -9.632 -4.085 6.566 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.511 -3.718 8.622 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.907 -4.279 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.827 -1.667 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.534 -2.273 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.126 -3.247 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.953 -4.735 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.834 -3.145 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.845 -0.572 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.011 -2.150 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.324 -1.535 5.258 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.441 -6.703 7.201 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.853 -8.098 7.352 1.00 0.00 C ATOM 1414 C VAL A 87 -11.335 -8.683 8.664 1.00 0.00 C ATOM 1415 O VAL A 87 -12.019 -9.465 9.326 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.343 -8.965 6.181 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.844 -10.397 6.303 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.759 -8.369 4.849 1.00 0.00 C ATOM 0 H VAL A 87 -10.782 -6.541 6.439 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.943 -8.109 7.355 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.254 -8.981 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.470 -10.986 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.487 -10.829 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.934 -10.403 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.389 -8.996 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.846 -8.315 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.341 -7.367 4.752 1.00 0.00 H new ATOM 1428 N THR A 88 -10.124 -8.294 9.041 1.00 0.00 N ATOM 1429 CA THR A 88 -9.497 -8.805 10.253 1.00 0.00 C ATOM 1430 C THR A 88 -9.936 -8.016 11.488 1.00 0.00 C ATOM 1431 O THR A 88 -9.508 -8.307 12.604 1.00 0.00 O ATOM 1432 CB THR A 88 -7.958 -8.783 10.131 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.517 -7.507 9.644 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.476 -9.884 9.196 1.00 0.00 C ATOM 0 H THR A 88 -9.555 -7.624 8.523 1.00 0.00 H new ATOM 0 HA THR A 88 -9.825 -9.837 10.374 1.00 0.00 H new ATOM 0 HB THR A 88 -7.536 -8.955 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.619 -7.476 8.670 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.389 -9.850 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.784 -10.854 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.909 -9.737 8.207 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.789 -7.015 11.281 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.294 -6.223 12.390 1.00 0.00 C ATOM 1444 C GLY A 89 -10.244 -5.292 12.965 1.00 0.00 C ATOM 1445 O GLY A 89 -10.389 -4.789 14.080 1.00 0.00 O ATOM 0 H GLY A 89 -11.140 -6.738 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.149 -5.637 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.653 -6.889 13.174 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.190 -5.055 12.196 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.099 -4.193 12.625 1.00 0.00 C ATOM 1451 C ARG A 90 -8.325 -2.763 12.150 1.00 0.00 C ATOM 1452 O ARG A 90 -7.617 -1.846 12.554 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.764 -4.720 12.091 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.362 -6.065 12.675 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.058 -6.570 12.075 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.603 -7.806 12.709 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.955 -8.780 12.068 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.698 -8.677 10.770 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.564 -9.865 12.719 1.00 0.00 N ATOM 0 H ARG A 90 -9.068 -5.452 11.264 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.069 -4.195 13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.826 -4.808 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.983 -3.991 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.255 -5.975 13.756 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.153 -6.792 12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.193 -6.739 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.290 -5.804 12.182 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.793 -7.932 13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.996 -7.849 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.202 -9.426 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.758 -9.959 13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.069 -10.606 12.223 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.315 -2.583 11.289 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.666 -1.260 10.793 1.00 0.00 C ATOM 1475 C ALA A 91 -11.166 -1.159 10.577 1.00 0.00 C ATOM 1476 O ALA A 91 -11.854 -2.177 10.460 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.923 -0.954 9.501 1.00 0.00 C ATOM 0 H ALA A 91 -9.891 -3.338 10.918 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.370 -0.524 11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.200 0.039 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.849 -0.988 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.187 -1.694 8.745 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.674 0.063 10.534 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.096 0.290 10.323 1.00 0.00 C ATOM 1485 C LYS A 92 -13.326 1.022 9.013 1.00 0.00 C ATOM 1486 O LYS A 92 -14.260 0.718 8.273 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.693 1.095 11.479 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.582 0.400 12.823 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.284 1.188 13.912 1.00 0.00 C ATOM 1490 CE LYS A 92 -14.166 0.498 15.259 1.00 0.00 C ATOM 1491 NZ LYS A 92 -14.896 1.238 16.319 1.00 0.00 N ATOM 0 H LYS A 92 -11.122 0.914 10.643 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.591 -0.680 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.191 2.061 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.744 1.294 11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.016 -0.597 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.531 0.273 13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.854 2.188 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.336 1.309 13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.560 -0.515 15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.115 0.412 15.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.793 0.738 17.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.503 2.197 16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.904 1.298 16.069 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.465 1.982 8.726 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.567 2.758 7.505 1.00 0.00 C ATOM 1507 C TYR A 93 -11.205 2.874 6.839 1.00 0.00 C ATOM 1508 O TYR A 93 -10.187 3.052 7.509 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.136 4.151 7.800 1.00 0.00 C ATOM 1510 CG TYR A 93 -13.153 5.068 6.596 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -14.046 4.862 5.551 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -12.267 6.133 6.501 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -14.055 5.693 4.447 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -12.270 6.969 5.402 1.00 0.00 C ATOM 1515 CZ TYR A 93 -13.166 6.746 4.378 1.00 0.00 C ATOM 1516 OH TYR A 93 -13.171 7.578 3.281 1.00 0.00 O ATOM 0 H TYR A 93 -11.683 2.243 9.327 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.246 2.245 6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.152 4.046 8.180 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.546 4.615 8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.744 4.039 5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.563 6.311 7.301 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.754 5.519 3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.574 7.793 5.345 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.355 8.120 3.278 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.195 2.762 5.523 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.971 2.899 4.757 1.00 0.00 C ATOM 1528 C ASN A 94 -9.993 4.191 3.948 1.00 0.00 C ATOM 1529 O ASN A 94 -10.955 4.468 3.232 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.765 1.688 3.833 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.908 1.452 2.854 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -12.075 1.716 3.151 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.578 0.941 1.678 1.00 0.00 N ATOM 0 H ASN A 94 -12.025 2.576 4.961 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.134 2.939 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.842 1.826 3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.635 0.795 4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.300 0.753 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.601 0.735 1.467 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.936 5.009 4.061 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.832 6.285 3.342 1.00 0.00 C ATOM 1542 C PRO A 95 -8.512 6.104 1.856 1.00 0.00 C ATOM 1543 O PRO A 95 -7.751 6.876 1.272 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.684 6.998 4.060 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.835 5.906 4.608 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.763 4.764 4.924 1.00 0.00 C ATOM 0 HA PRO A 95 -9.772 6.837 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.120 7.629 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.056 7.645 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.078 5.603 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.307 6.236 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.301 3.801 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.038 4.753 5.979 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.121 5.098 1.244 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.922 4.826 -0.173 1.00 0.00 C ATOM 1556 C ALA A 96 -9.518 5.938 -1.050 1.00 0.00 C ATOM 1557 O ALA A 96 -8.857 6.405 -1.979 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.493 3.465 -0.542 1.00 0.00 C ATOM 0 H ALA A 96 -9.760 4.454 1.709 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.849 4.807 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.335 3.280 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.993 2.691 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.561 3.448 -0.326 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.773 6.385 -0.789 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.347 7.537 -1.495 1.00 0.00 C ATOM 1566 C PRO A 97 -10.582 8.820 -1.185 1.00 0.00 C ATOM 1567 O PRO A 97 -10.423 9.691 -2.041 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.781 7.630 -0.961 1.00 0.00 C ATOM 1569 CG PRO A 97 -13.056 6.304 -0.342 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.737 5.809 0.169 1.00 0.00 C ATOM 0 HA PRO A 97 -11.302 7.414 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.877 8.433 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.487 7.843 -1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.780 6.393 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.477 5.612 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.546 6.148 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.692 4.720 0.182 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.100 8.914 0.051 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.309 10.056 0.496 1.00 0.00 C ATOM 1580 C ASP A 98 -8.041 10.172 -0.335 1.00 0.00 C ATOM 1581 O ASP A 98 -7.633 11.267 -0.710 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.943 9.912 1.976 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.160 9.817 2.871 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.848 8.777 2.837 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.432 10.778 3.621 1.00 0.00 O ATOM 0 H ASP A 98 -10.246 8.204 0.769 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.907 10.958 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.328 9.022 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.338 10.766 2.281 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.429 9.025 -0.616 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.251 8.956 -1.472 1.00 0.00 C ATOM 1592 C LEU A 99 -6.567 9.552 -2.839 1.00 0.00 C ATOM 1593 O LEU A 99 -5.794 10.346 -3.379 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.792 7.489 -1.600 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.504 7.228 -2.399 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.771 7.215 -3.896 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.451 8.268 -2.065 1.00 0.00 C ATOM 0 H LEU A 99 -7.735 8.121 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.441 9.535 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.655 7.088 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.599 6.921 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.133 6.243 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.839 7.028 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.488 6.428 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.177 8.179 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.547 8.068 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.827 9.260 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.222 8.225 -1.000 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.713 9.171 -3.384 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.130 9.644 -4.692 1.00 0.00 C ATOM 1611 C ALA A 100 -8.340 11.151 -4.678 1.00 0.00 C ATOM 1612 O ALA A 100 -7.848 11.860 -5.553 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.401 8.933 -5.134 1.00 0.00 C ATOM 0 H ALA A 100 -8.372 8.533 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.339 9.416 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.700 9.299 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.218 7.860 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.197 9.130 -4.416 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.055 11.637 -3.671 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.354 13.062 -3.563 1.00 0.00 C ATOM 1621 C ASP A 101 -8.085 13.874 -3.317 1.00 0.00 C ATOM 1622 O ASP A 101 -7.922 14.961 -3.868 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.373 13.319 -2.450 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.868 14.751 -2.447 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.579 15.138 -3.399 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.556 15.497 -1.493 1.00 0.00 O ATOM 0 H ASP A 101 -9.439 11.067 -2.917 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.785 13.384 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.220 12.644 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.920 13.091 -1.485 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.183 13.331 -2.507 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.905 13.984 -2.229 1.00 0.00 C ATOM 1633 C ALA A 102 -5.078 14.111 -3.504 1.00 0.00 C ATOM 1634 O ALA A 102 -4.466 15.148 -3.757 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.131 13.216 -1.168 1.00 0.00 C ATOM 0 H ALA A 102 -7.312 12.439 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.109 14.985 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.183 13.718 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.715 13.177 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.940 12.202 -1.520 1.00 0.00 H new ATOM 1641 N MET A 103 -5.071 13.045 -4.299 1.00 0.00 N ATOM 1642 CA MET A 103 -4.403 13.042 -5.596 1.00 0.00 C ATOM 1643 C MET A 103 -4.946 14.167 -6.473 1.00 0.00 C ATOM 1644 O MET A 103 -4.188 14.888 -7.123 1.00 0.00 O ATOM 1645 CB MET A 103 -4.607 11.689 -6.289 1.00 0.00 C ATOM 1646 CG MET A 103 -3.798 11.519 -7.565 1.00 0.00 C ATOM 1647 SD MET A 103 -4.288 10.065 -8.514 1.00 0.00 S ATOM 1648 CE MET A 103 -3.883 8.759 -7.358 1.00 0.00 C ATOM 0 H MET A 103 -5.526 12.163 -4.064 1.00 0.00 H new ATOM 0 HA MET A 103 -3.336 13.203 -5.441 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.341 10.893 -5.594 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.665 11.568 -6.523 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.914 12.408 -8.185 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.740 11.443 -7.312 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.396 7.941 -7.889 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.210 9.146 -6.593 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.796 8.393 -6.888 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.266 14.319 -6.466 1.00 0.00 N ATOM 1659 CA LYS A 104 -6.932 15.371 -7.232 1.00 0.00 C ATOM 1660 C LYS A 104 -6.562 16.747 -6.689 1.00 0.00 C ATOM 1661 O LYS A 104 -6.290 17.680 -7.448 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.451 15.195 -7.172 1.00 0.00 C ATOM 1663 CG LYS A 104 -8.934 13.820 -7.599 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.427 13.669 -7.364 1.00 0.00 C ATOM 1665 CE LYS A 104 -10.886 12.233 -7.558 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.342 12.082 -7.298 1.00 0.00 N ATOM 0 H LYS A 104 -6.901 13.723 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.600 15.295 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.788 15.386 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.918 15.946 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.711 13.664 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.395 13.053 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.671 13.995 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.971 14.320 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.663 11.914 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.327 11.579 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.619 11.090 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.551 12.363 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.876 12.688 -7.953 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.556 16.859 -5.368 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.227 18.112 -4.715 1.00 0.00 C ATOM 1682 C GLY A 105 -4.788 18.527 -4.944 1.00 0.00 C ATOM 1683 O GLY A 105 -4.478 19.714 -4.975 1.00 0.00 O ATOM 0 H GLY A 105 -6.776 16.095 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.890 18.895 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.408 18.018 -3.644 1.00 0.00 H new ATOM 1687 N TYR A 106 -3.908 17.549 -5.098 1.00 0.00 N ATOM 1688 CA TYR A 106 -2.507 17.828 -5.379 1.00 0.00 C ATOM 1689 C TYR A 106 -2.344 18.225 -6.846 1.00 0.00 C ATOM 1690 O TYR A 106 -1.504 19.059 -7.188 1.00 0.00 O ATOM 1691 CB TYR A 106 -1.645 16.603 -5.055 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.177 16.920 -4.880 1.00 0.00 C ATOM 1693 CD1 TYR A 106 0.673 17.017 -5.973 1.00 0.00 C ATOM 1694 CD2 TYR A 106 0.358 17.126 -3.614 1.00 0.00 C ATOM 1695 CE1 TYR A 106 2.013 17.311 -5.809 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.695 17.419 -3.443 1.00 0.00 C ATOM 1697 CZ TYR A 106 2.517 17.511 -4.543 1.00 0.00 C ATOM 1698 OH TYR A 106 3.851 17.804 -4.380 1.00 0.00 O ATOM 0 H TYR A 106 -4.138 16.557 -5.033 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.175 18.655 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.018 16.139 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.756 15.870 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.281 16.860 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.284 17.055 -2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.662 17.384 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.094 17.575 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 106 4.047 17.917 -3.426 1.00 0.00 H new ATOM 1708 N ARG A 107 -3.160 17.615 -7.701 1.00 0.00 N ATOM 1709 CA ARG A 107 -3.179 17.937 -9.124 1.00 0.00 C ATOM 1710 C ARG A 107 -3.593 19.390 -9.340 1.00 0.00 C ATOM 1711 O ARG A 107 -2.945 20.134 -10.079 1.00 0.00 O ATOM 1712 CB ARG A 107 -4.148 17.005 -9.859 1.00 0.00 C ATOM 1713 CG ARG A 107 -4.400 17.393 -11.310 1.00 0.00 C ATOM 1714 CD ARG A 107 -5.439 16.491 -11.955 1.00 0.00 C ATOM 1715 NE ARG A 107 -6.721 16.520 -11.244 1.00 0.00 N ATOM 1716 CZ ARG A 107 -7.754 15.726 -11.537 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -7.682 14.896 -12.571 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -8.865 15.792 -10.815 1.00 0.00 N ATOM 0 H ARG A 107 -3.822 16.888 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.174 17.798 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.753 15.990 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.099 16.993 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.736 18.429 -11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.467 17.334 -11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.593 16.800 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.063 15.468 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.830 17.187 -10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.837 14.865 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.471 14.290 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.929 16.449 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.655 15.186 -11.038 1.00 0.00 H new ATOM 1732 N LYS A 108 -4.667 19.787 -8.679 1.00 0.00 N ATOM 1733 CA LYS A 108 -5.177 21.137 -8.787 1.00 0.00 C ATOM 1734 C LYS A 108 -5.409 21.704 -7.398 1.00 0.00 C ATOM 1735 O LYS A 108 -6.497 21.592 -6.829 1.00 0.00 O ATOM 1736 CB LYS A 108 -6.465 21.176 -9.613 1.00 0.00 C ATOM 1737 CG LYS A 108 -7.096 22.557 -9.687 1.00 0.00 C ATOM 1738 CD LYS A 108 -8.300 22.569 -10.608 1.00 0.00 C ATOM 1739 CE LYS A 108 -9.084 23.865 -10.481 1.00 0.00 C ATOM 1740 NZ LYS A 108 -8.224 25.062 -10.670 1.00 0.00 N ATOM 0 H LYS A 108 -5.205 19.184 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.439 21.751 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.250 20.829 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -7.184 20.479 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.397 22.875 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.358 23.277 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.972 22.440 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.949 21.725 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.886 23.876 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.554 23.909 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.822 25.906 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.606 25.180 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.641 24.940 -11.523 1.00 0.00 H new ATOM 1754 N LYS A 109 -4.355 22.259 -6.844 1.00 0.00 N ATOM 1755 CA LYS A 109 -4.398 22.846 -5.516 1.00 0.00 C ATOM 1756 C LYS A 109 -5.202 24.142 -5.518 1.00 0.00 C ATOM 1757 O LYS A 109 -5.004 25.016 -6.364 1.00 0.00 O ATOM 1758 CB LYS A 109 -2.975 23.092 -5.002 1.00 0.00 C ATOM 1759 CG LYS A 109 -2.101 23.865 -5.976 1.00 0.00 C ATOM 1760 CD LYS A 109 -0.659 23.929 -5.505 1.00 0.00 C ATOM 1761 CE LYS A 109 0.231 24.603 -6.536 1.00 0.00 C ATOM 1762 NZ LYS A 109 0.195 23.902 -7.848 1.00 0.00 N ATOM 0 H LYS A 109 -3.443 22.318 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.896 22.146 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.027 23.639 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.504 22.133 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.143 23.392 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.491 24.876 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.606 24.475 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.293 22.921 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.087 25.637 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.256 24.630 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.008 24.201 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.239 22.874 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.687 24.140 -8.345 1.00 0.00 H new ATOM 1776 N ASN A 110 -6.130 24.242 -4.583 1.00 0.00 N ATOM 1777 CA ASN A 110 -6.924 25.447 -4.412 1.00 0.00 C ATOM 1778 C ASN A 110 -6.570 26.098 -3.083 1.00 0.00 C ATOM 1779 O ASN A 110 -6.956 25.612 -2.018 1.00 0.00 O ATOM 1780 CB ASN A 110 -8.418 25.115 -4.482 1.00 0.00 C ATOM 1781 CG ASN A 110 -9.314 26.311 -4.204 1.00 0.00 C ATOM 1782 OD1 ASN A 110 -8.937 27.463 -4.434 1.00 0.00 O ATOM 1783 ND2 ASN A 110 -10.521 26.041 -3.730 1.00 0.00 N ATOM 0 H ASN A 110 -6.354 23.496 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.702 26.148 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.649 24.719 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.642 24.327 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.177 26.800 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.795 25.075 -3.553 1.00 0.00 H new ATOM 1790 N LEU A 111 -5.808 27.179 -3.155 1.00 0.00 N ATOM 1791 CA LEU A 111 -5.296 27.840 -1.966 1.00 0.00 C ATOM 1792 C LEU A 111 -6.415 28.536 -1.197 1.00 0.00 C ATOM 1793 O LEU A 111 -7.169 29.327 -1.760 1.00 0.00 O ATOM 1794 CB LEU A 111 -4.208 28.848 -2.350 1.00 0.00 C ATOM 1795 CG LEU A 111 -3.506 29.535 -1.176 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -2.821 28.508 -0.286 1.00 0.00 C ATOM 1797 CD2 LEU A 111 -2.497 30.553 -1.682 1.00 0.00 C ATOM 0 H LEU A 111 -5.529 27.619 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.863 27.080 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.457 28.335 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.654 29.615 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.259 30.056 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.328 29.016 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.564 27.812 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.080 27.959 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.007 31.032 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.750 30.050 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.009 31.308 -2.279 1.00 0.00 H new ATOM 1809 N GLU A 112 -6.511 28.216 0.088 1.00 0.00 N ATOM 1810 CA GLU A 112 -7.483 28.835 0.984 1.00 0.00 C ATOM 1811 C GLU A 112 -7.309 30.355 1.004 1.00 0.00 C ATOM 1812 O GLU A 112 -8.286 31.109 0.960 1.00 0.00 O ATOM 1813 CB GLU A 112 -7.325 28.220 2.386 1.00 0.00 C ATOM 1814 CG GLU A 112 -8.127 28.894 3.492 1.00 0.00 C ATOM 1815 CD GLU A 112 -7.386 30.054 4.126 1.00 0.00 C ATOM 1816 OE1 GLU A 112 -6.138 30.019 4.156 1.00 0.00 O ATOM 1817 OE2 GLU A 112 -8.048 31.005 4.599 1.00 0.00 O ATOM 0 H GLU A 112 -5.917 27.520 0.539 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.495 28.640 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.616 27.171 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.270 28.246 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.072 29.251 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.369 28.159 4.260 1.00 0.00 H new ATOM 1824 N HIS A 113 -6.061 30.800 1.056 1.00 0.00 N ATOM 1825 CA HIS A 113 -5.754 32.224 1.012 1.00 0.00 C ATOM 1826 C HIS A 113 -5.703 32.724 -0.430 1.00 0.00 C ATOM 1827 O HIS A 113 -4.629 32.844 -1.019 1.00 0.00 O ATOM 1828 CB HIS A 113 -4.425 32.517 1.718 1.00 0.00 C ATOM 1829 CG HIS A 113 -4.575 33.065 3.109 1.00 0.00 C ATOM 1830 ND1 HIS A 113 -4.939 32.298 4.195 1.00 0.00 N ATOM 1831 CD2 HIS A 113 -4.395 34.319 3.587 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -4.972 33.052 5.275 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -4.645 34.282 4.934 1.00 0.00 N ATOM 0 H HIS A 113 -5.243 30.195 1.129 1.00 0.00 H new ATOM 0 HA HIS A 113 -6.550 32.753 1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -3.840 31.599 1.762 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.857 33.228 1.118 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -5.150 31.301 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -4.108 35.188 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.224 32.718 6.271 1.00 0.00 H new ATOM 1842 N HIS A 114 -6.870 32.984 -1.002 1.00 0.00 N ATOM 1843 CA HIS A 114 -6.953 33.519 -2.354 1.00 0.00 C ATOM 1844 C HIS A 114 -6.416 34.945 -2.378 1.00 0.00 C ATOM 1845 O HIS A 114 -6.797 35.770 -1.546 1.00 0.00 O ATOM 1846 CB HIS A 114 -8.396 33.485 -2.866 1.00 0.00 C ATOM 1847 CG HIS A 114 -8.949 32.100 -3.021 1.00 0.00 C ATOM 1848 ND1 HIS A 114 -9.945 31.596 -2.216 1.00 0.00 N ATOM 1849 CD2 HIS A 114 -8.643 31.116 -3.898 1.00 0.00 C ATOM 1850 CE1 HIS A 114 -10.225 30.361 -2.587 1.00 0.00 C ATOM 1851 NE2 HIS A 114 -9.450 30.044 -3.608 1.00 0.00 N ATOM 0 H HIS A 114 -7.772 32.833 -0.551 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.346 32.897 -3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.029 34.044 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.443 33.995 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.901 31.165 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.964 29.718 -2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.451 29.150 -4.100 1.00 0.00 H new ATOM 1860 N HIS A 115 -5.535 35.232 -3.325 1.00 0.00 N ATOM 1861 CA HIS A 115 -4.855 36.522 -3.364 1.00 0.00 C ATOM 1862 C HIS A 115 -5.743 37.611 -3.946 1.00 0.00 C ATOM 1863 O HIS A 115 -5.511 38.787 -3.690 1.00 0.00 O ATOM 1864 CB HIS A 115 -3.559 36.431 -4.172 1.00 0.00 C ATOM 1865 CG HIS A 115 -2.489 35.613 -3.519 1.00 0.00 C ATOM 1866 ND1 HIS A 115 -2.057 34.403 -4.014 1.00 0.00 N ATOM 1867 CD2 HIS A 115 -1.751 35.845 -2.409 1.00 0.00 C ATOM 1868 CE1 HIS A 115 -1.101 33.927 -3.239 1.00 0.00 C ATOM 1869 NE2 HIS A 115 -0.894 34.784 -2.257 1.00 0.00 N ATOM 0 H HIS A 115 -5.274 34.592 -4.075 1.00 0.00 H new ATOM 0 HA HIS A 115 -4.618 36.787 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -3.782 36.004 -5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -3.178 37.438 -4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -1.823 36.707 -1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.577 32.994 -3.384 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -0.210 34.676 -1.508 1.00 0.00 H new ATOM 1878 N HIS A 116 -6.757 37.210 -4.718 1.00 0.00 N ATOM 1879 CA HIS A 116 -7.675 38.149 -5.383 1.00 0.00 C ATOM 1880 C HIS A 116 -6.952 38.893 -6.502 1.00 0.00 C ATOM 1881 O HIS A 116 -7.167 38.626 -7.682 1.00 0.00 O ATOM 1882 CB HIS A 116 -8.276 39.167 -4.398 1.00 0.00 C ATOM 1883 CG HIS A 116 -8.979 38.558 -3.223 1.00 0.00 C ATOM 1884 ND1 HIS A 116 -8.537 38.703 -1.923 1.00 0.00 N ATOM 1885 CD2 HIS A 116 -10.104 37.808 -3.152 1.00 0.00 C ATOM 1886 CE1 HIS A 116 -9.359 38.071 -1.109 1.00 0.00 C ATOM 1887 NE2 HIS A 116 -10.317 37.522 -1.827 1.00 0.00 N ATOM 0 H HIS A 116 -6.967 36.229 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 116 -8.492 37.558 -5.797 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -7.478 39.814 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.979 39.802 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.719 37.494 -3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.263 38.013 -0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -11.093 36.972 -1.457 1.00 0.00 H new ATOM 1896 N HIS A 117 -6.092 39.821 -6.116 1.00 0.00 N ATOM 1897 CA HIS A 117 -5.279 40.574 -7.057 1.00 0.00 C ATOM 1898 C HIS A 117 -3.811 40.453 -6.668 1.00 0.00 C ATOM 1899 O HIS A 117 -3.437 39.545 -5.927 1.00 0.00 O ATOM 1900 CB HIS A 117 -5.704 42.048 -7.079 1.00 0.00 C ATOM 1901 CG HIS A 117 -6.985 42.295 -7.813 1.00 0.00 C ATOM 1902 ND1 HIS A 117 -7.960 43.160 -7.366 1.00 0.00 N ATOM 1903 CD2 HIS A 117 -7.437 41.798 -8.986 1.00 0.00 C ATOM 1904 CE1 HIS A 117 -8.954 43.181 -8.233 1.00 0.00 C ATOM 1905 NE2 HIS A 117 -8.661 42.363 -9.227 1.00 0.00 N ATOM 0 H HIS A 117 -5.938 40.074 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.422 40.165 -8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.809 42.402 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -4.912 42.638 -7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.926 41.086 -9.617 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.856 43.769 -8.145 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.249 42.182 -10.040 1.00 0.00 H new ATOM 1914 N HIS A 118 -2.978 41.347 -7.176 1.00 0.00 N ATOM 1915 CA HIS A 118 -1.568 41.341 -6.826 1.00 0.00 C ATOM 1916 C HIS A 118 -1.178 42.671 -6.202 1.00 0.00 C ATOM 1917 O HIS A 118 -0.742 43.580 -6.942 1.00 0.00 O ATOM 1918 CB HIS A 118 -0.700 41.044 -8.053 1.00 0.00 C ATOM 1919 CG HIS A 118 -0.792 39.623 -8.521 1.00 0.00 C ATOM 1920 ND1 HIS A 118 0.043 38.626 -8.066 1.00 0.00 N ATOM 1921 CD2 HIS A 118 -1.632 39.030 -9.403 1.00 0.00 C ATOM 1922 CE1 HIS A 118 -0.275 37.485 -8.648 1.00 0.00 C ATOM 1923 NE2 HIS A 118 -1.289 37.700 -9.462 1.00 0.00 N ATOM 1924 OXT HIS A 118 -1.335 42.815 -4.973 1.00 0.00 O ATOM 0 H HIS A 118 -3.252 42.082 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 118 -1.398 40.549 -6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.996 41.706 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 118 0.339 41.274 -7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.424 39.512 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.213 36.536 -8.485 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -1.745 36.995 -10.041 1.00 0.00 H new TER 1933 HIS A 118