USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 974 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 80 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.151) USER MOD Set 1.2: A 84 THR OG1 : rot -44:sc= 1.1 USER MOD Set 2.1: A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.065,f=0) USER MOD Set 3.1: A 16 ASN : amide:sc= -1.2 K(o=-0.86,f=-4.4!) USER MOD Set 3.2: A 17 ASN : amide:sc= -0.65 K(o=-0.86,f=-3.9!) USER MOD Set 3.3: A 19 SER OG : rot -132:sc= 0.983 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 137:sc= -0.118 (180deg=-0.917) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0584 F(o=-0.9,f=-0.058) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.709 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.22) USER MOD Single : A 43 SER OG : rot 72:sc= 0.0985 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 6:sc= 0.743 USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.17 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0.0509 (180deg=0.0163) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.7!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.103) USER MOD Single : A 67 ASN : amide:sc= -0.961 K(o=-0.96,f=-2.6) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.64 K(o=-2.6,f=-5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 14:sc= 1.2 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0996) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 90 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0628) USER MOD Single : A 92 SER OG : rot -48:sc= 0.46 USER MOD Single : A 93 MET CE :methyl -142:sc= -2.3 (180deg=-3.8) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0458 USER MOD Single : A 104 ASN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= -0.095 (180deg=-0.54) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 124.234 3.579 4.869 1.00 0.00 N ATOM 2 CA GLY A -3 124.113 3.931 3.425 1.00 0.00 C ATOM 3 C GLY A -3 123.673 5.391 3.290 1.00 0.00 C ATOM 4 O GLY A -3 122.734 5.825 3.932 1.00 0.00 O ATOM 0 H1 GLY A -3 124.533 2.587 4.961 1.00 0.00 H new ATOM 0 H2 GLY A -3 124.940 4.196 5.319 1.00 0.00 H new ATOM 0 H3 GLY A -3 123.314 3.708 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A -3 125.068 3.780 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A -3 123.390 3.276 2.939 1.00 0.00 H new ATOM 10 N ALA A -2 124.347 6.148 2.458 1.00 0.00 N ATOM 11 CA ALA A -2 123.980 7.584 2.272 1.00 0.00 C ATOM 12 C ALA A -2 123.230 7.774 0.948 1.00 0.00 C ATOM 13 O ALA A -2 123.337 8.805 0.309 1.00 0.00 O ATOM 14 CB ALA A -2 125.313 8.333 2.245 1.00 0.00 C ATOM 0 H ALA A -2 125.138 5.830 1.898 1.00 0.00 H new ATOM 0 HA ALA A -2 123.323 7.947 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A -2 125.129 9.399 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A -2 125.840 8.171 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A -2 125.921 7.963 1.420 1.00 0.00 H new ATOM 20 N MET A -1 122.472 6.785 0.535 1.00 0.00 N ATOM 21 CA MET A -1 121.711 6.896 -0.753 1.00 0.00 C ATOM 22 C MET A -1 120.652 8.000 -0.653 1.00 0.00 C ATOM 23 O MET A -1 120.376 8.693 -1.615 1.00 0.00 O ATOM 24 CB MET A -1 121.042 5.533 -0.954 1.00 0.00 C ATOM 25 CG MET A -1 122.113 4.467 -1.190 1.00 0.00 C ATOM 26 SD MET A -1 121.319 2.899 -1.625 1.00 0.00 S ATOM 27 CE MET A -1 120.815 3.357 -3.301 1.00 0.00 C ATOM 0 H MET A -1 122.347 5.904 1.034 1.00 0.00 H new ATOM 0 HA MET A -1 122.364 7.153 -1.587 1.00 0.00 H new ATOM 0 HB2 MET A -1 120.446 5.276 -0.078 1.00 0.00 H new ATOM 0 HB3 MET A -1 120.360 5.573 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A -1 122.784 4.781 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A -1 122.721 4.343 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A -1 121.018 2.529 -3.981 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.749 3.582 -3.311 1.00 0.00 H new ATOM 0 HE3 MET A -1 121.375 4.236 -3.622 1.00 0.00 H new ATOM 37 N GLY A 0 120.062 8.165 0.506 1.00 0.00 N ATOM 38 CA GLY A 0 119.028 9.228 0.688 1.00 0.00 C ATOM 39 C GLY A 0 117.700 8.769 0.076 1.00 0.00 C ATOM 40 O GLY A 0 116.941 9.568 -0.442 1.00 0.00 O ATOM 0 H GLY A 0 120.254 7.606 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.896 9.442 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 0 119.357 10.153 0.215 1.00 0.00 H new ATOM 44 N MET A 1 117.417 7.489 0.132 1.00 0.00 N ATOM 45 CA MET A 1 116.133 6.970 -0.429 1.00 0.00 C ATOM 46 C MET A 1 115.472 6.010 0.565 1.00 0.00 C ATOM 47 O MET A 1 116.143 5.277 1.269 1.00 0.00 O ATOM 48 CB MET A 1 116.526 6.230 -1.708 1.00 0.00 C ATOM 49 CG MET A 1 117.037 7.233 -2.744 1.00 0.00 C ATOM 50 SD MET A 1 117.366 6.375 -4.304 1.00 0.00 S ATOM 51 CE MET A 1 117.977 7.806 -5.226 1.00 0.00 C ATOM 0 H MET A 1 118.024 6.780 0.544 1.00 0.00 H new ATOM 0 HA MET A 1 115.417 7.768 -0.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 117.298 5.491 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.668 5.687 -2.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 116.299 8.020 -2.898 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.946 7.714 -2.383 1.00 0.00 H new ATOM 0 HE1 MET A 1 118.244 7.500 -6.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 117.200 8.569 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 118.856 8.213 -4.726 1.00 0.00 H new ATOM 61 N SER A 2 114.162 6.012 0.625 1.00 0.00 N ATOM 62 CA SER A 2 113.444 5.101 1.569 1.00 0.00 C ATOM 63 C SER A 2 112.379 4.294 0.820 1.00 0.00 C ATOM 64 O SER A 2 111.817 4.751 -0.159 1.00 0.00 O ATOM 65 CB SER A 2 112.790 6.028 2.593 1.00 0.00 C ATOM 66 OG SER A 2 113.788 6.843 3.193 1.00 0.00 O ATOM 0 H SER A 2 113.558 6.608 0.059 1.00 0.00 H new ATOM 0 HA SER A 2 114.115 4.382 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.038 6.651 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.276 5.442 3.355 1.00 0.00 H new ATOM 0 HG SER A 2 113.372 7.440 3.849 1.00 0.00 H new ATOM 72 N VAL A 3 112.102 3.096 1.277 1.00 0.00 N ATOM 73 CA VAL A 3 111.061 2.247 0.608 1.00 0.00 C ATOM 74 C VAL A 3 109.670 2.868 0.802 1.00 0.00 C ATOM 75 O VAL A 3 108.796 2.719 -0.034 1.00 0.00 O ATOM 76 CB VAL A 3 111.147 0.870 1.292 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.125 -0.089 0.673 1.00 0.00 C ATOM 78 CG2 VAL A 3 112.552 0.286 1.107 1.00 0.00 C ATOM 0 H VAL A 3 112.552 2.667 2.086 1.00 0.00 H new ATOM 0 HA VAL A 3 111.226 2.167 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 3 110.935 0.994 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.194 -1.060 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.121 0.314 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.332 -0.204 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.608 -0.688 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 3 112.762 0.174 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.286 0.957 1.553 1.00 0.00 H new ATOM 88 N ALA A 4 109.460 3.561 1.899 1.00 0.00 N ATOM 89 CA ALA A 4 108.121 4.187 2.162 1.00 0.00 C ATOM 90 C ALA A 4 107.772 5.205 1.068 1.00 0.00 C ATOM 91 O ALA A 4 106.611 5.440 0.781 1.00 0.00 O ATOM 92 CB ALA A 4 108.259 4.888 3.516 1.00 0.00 C ATOM 0 H ALA A 4 110.159 3.720 2.625 1.00 0.00 H new ATOM 0 HA ALA A 4 107.324 3.443 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.316 5.369 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.514 4.155 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.046 5.640 3.458 1.00 0.00 H new ATOM 98 N ASP A 5 108.767 5.808 0.458 1.00 0.00 N ATOM 99 CA ASP A 5 108.498 6.804 -0.632 1.00 0.00 C ATOM 100 C ASP A 5 107.816 6.122 -1.823 1.00 0.00 C ATOM 101 O ASP A 5 106.920 6.677 -2.433 1.00 0.00 O ATOM 102 CB ASP A 5 109.872 7.345 -1.042 1.00 0.00 C ATOM 103 CG ASP A 5 110.484 8.141 0.114 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.745 8.847 0.782 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.683 8.035 0.309 1.00 0.00 O ATOM 0 H ASP A 5 109.753 5.654 0.667 1.00 0.00 H new ATOM 0 HA ASP A 5 107.833 7.600 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.530 6.521 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.774 7.981 -1.922 1.00 0.00 H new ATOM 110 N PHE A 6 108.238 4.925 -2.154 1.00 0.00 N ATOM 111 CA PHE A 6 107.607 4.192 -3.298 1.00 0.00 C ATOM 112 C PHE A 6 106.330 3.480 -2.837 1.00 0.00 C ATOM 113 O PHE A 6 105.400 3.304 -3.604 1.00 0.00 O ATOM 114 CB PHE A 6 108.654 3.177 -3.759 1.00 0.00 C ATOM 115 CG PHE A 6 109.901 3.816 -4.326 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.989 4.124 -3.473 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.982 4.106 -5.711 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.157 4.723 -4.004 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.150 4.705 -6.241 1.00 0.00 C ATOM 120 CZ PHE A 6 112.237 5.013 -5.388 1.00 0.00 C ATOM 0 H PHE A 6 108.991 4.424 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 6 107.319 4.867 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.930 2.543 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.212 2.528 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.928 3.902 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.153 3.870 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.987 4.959 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.212 4.927 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.128 5.470 -5.793 1.00 0.00 H new ATOM 130 N TYR A 7 106.280 3.069 -1.591 1.00 0.00 N ATOM 131 CA TYR A 7 105.048 2.396 -1.062 1.00 0.00 C ATOM 132 C TYR A 7 103.884 3.391 -1.009 1.00 0.00 C ATOM 133 O TYR A 7 104.030 4.501 -0.530 1.00 0.00 O ATOM 134 CB TYR A 7 105.415 1.922 0.350 1.00 0.00 C ATOM 135 CG TYR A 7 106.045 0.543 0.401 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.935 0.118 -0.622 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.751 -0.323 1.482 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.525 -1.166 -0.558 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.340 -1.609 1.542 1.00 0.00 C ATOM 140 CZ TYR A 7 107.227 -2.030 0.524 1.00 0.00 C ATOM 141 OH TYR A 7 107.805 -3.281 0.588 1.00 0.00 O ATOM 0 H TYR A 7 107.039 3.170 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 7 104.732 1.567 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.104 2.640 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.515 1.921 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.161 0.775 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.076 -0.002 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.203 -1.488 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.112 -2.269 2.366 1.00 0.00 H new ATOM 0 HH TYR A 7 107.495 -3.744 1.394 1.00 0.00 H new ATOM 151 N GLY A 8 102.735 2.997 -1.497 1.00 0.00 N ATOM 152 CA GLY A 8 101.566 3.927 -1.535 1.00 0.00 C ATOM 153 C GLY A 8 101.628 4.823 -2.784 1.00 0.00 C ATOM 154 O GLY A 8 100.756 5.646 -2.997 1.00 0.00 O ATOM 0 H GLY A 8 102.556 2.066 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.639 3.354 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.557 4.545 -0.637 1.00 0.00 H new ATOM 158 N SER A 9 102.643 4.676 -3.611 1.00 0.00 N ATOM 159 CA SER A 9 102.746 5.525 -4.839 1.00 0.00 C ATOM 160 C SER A 9 101.978 4.879 -5.993 1.00 0.00 C ATOM 161 O SER A 9 101.965 3.670 -6.138 1.00 0.00 O ATOM 162 CB SER A 9 104.240 5.593 -5.158 1.00 0.00 C ATOM 163 OG SER A 9 104.444 6.461 -6.265 1.00 0.00 O ATOM 0 H SER A 9 103.401 4.005 -3.485 1.00 0.00 H new ATOM 0 HA SER A 9 102.320 6.517 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.793 5.954 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.621 4.598 -5.386 1.00 0.00 H new ATOM 0 HG SER A 9 105.401 6.509 -6.471 1.00 0.00 H new ATOM 169 N ASN A 10 101.340 5.677 -6.815 1.00 0.00 N ATOM 170 CA ASN A 10 100.616 5.119 -7.998 1.00 0.00 C ATOM 171 C ASN A 10 101.542 5.101 -9.213 1.00 0.00 C ATOM 172 O ASN A 10 101.958 6.137 -9.703 1.00 0.00 O ATOM 173 CB ASN A 10 99.442 6.070 -8.238 1.00 0.00 C ATOM 174 CG ASN A 10 98.462 5.432 -9.225 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.696 4.454 -8.824 1.00 0.00 O flip ATOM 176 ND2 ASN A 10 98.393 5.828 -10.371 1.00 0.00 N flip ATOM 0 H ASN A 10 101.290 6.691 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 10 100.280 4.096 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.937 6.286 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.804 7.020 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 10 98.992 6.592 -10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.736 5.396 -11.021 1.00 0.00 H new ATOM 183 N VAL A 11 101.867 3.931 -9.699 1.00 0.00 N ATOM 184 CA VAL A 11 102.748 3.823 -10.901 1.00 0.00 C ATOM 185 C VAL A 11 102.118 2.869 -11.918 1.00 0.00 C ATOM 186 O VAL A 11 101.246 2.087 -11.583 1.00 0.00 O ATOM 187 CB VAL A 11 104.091 3.270 -10.388 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.720 4.273 -9.419 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.879 1.933 -9.662 1.00 0.00 C ATOM 0 H VAL A 11 101.558 3.039 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 11 102.884 4.783 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 11 104.751 3.111 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.670 3.881 -9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.890 5.219 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.048 4.435 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.838 1.556 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.210 2.081 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.438 1.211 -10.350 1.00 0.00 H new ATOM 199 N GLU A 12 102.549 2.927 -13.154 1.00 0.00 N ATOM 200 CA GLU A 12 102.069 1.938 -14.163 1.00 0.00 C ATOM 201 C GLU A 12 103.258 1.132 -14.692 1.00 0.00 C ATOM 202 O GLU A 12 104.355 1.639 -14.815 1.00 0.00 O ATOM 203 CB GLU A 12 101.436 2.782 -15.276 1.00 0.00 C ATOM 204 CG GLU A 12 100.905 1.873 -16.392 1.00 0.00 C ATOM 205 CD GLU A 12 100.259 2.727 -17.483 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.259 3.364 -17.196 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.775 2.731 -18.589 1.00 0.00 O ATOM 0 H GLU A 12 103.212 3.617 -13.506 1.00 0.00 H new ATOM 0 HA GLU A 12 101.356 1.224 -13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.623 3.383 -14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.173 3.475 -15.681 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.719 1.282 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.177 1.170 -15.987 1.00 0.00 H new ATOM 214 N VAL A 13 103.043 -0.119 -15.002 1.00 0.00 N ATOM 215 CA VAL A 13 104.139 -0.952 -15.578 1.00 0.00 C ATOM 216 C VAL A 13 103.615 -1.731 -16.782 1.00 0.00 C ATOM 217 O VAL A 13 102.478 -2.172 -16.789 1.00 0.00 O ATOM 218 CB VAL A 13 104.568 -1.904 -14.445 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.439 -2.885 -14.101 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.796 -2.698 -14.887 1.00 0.00 C ATOM 0 H VAL A 13 102.152 -0.601 -14.881 1.00 0.00 H new ATOM 0 HA VAL A 13 104.980 -0.353 -15.928 1.00 0.00 H new ATOM 0 HB VAL A 13 104.800 -1.308 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.764 -3.547 -13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.559 -2.328 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.190 -3.477 -14.982 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.101 -3.372 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.553 -3.278 -15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.611 -2.011 -15.113 1.00 0.00 H new ATOM 230 N LEU A 14 104.421 -1.903 -17.798 1.00 0.00 N ATOM 231 CA LEU A 14 104.036 -2.868 -18.871 1.00 0.00 C ATOM 232 C LEU A 14 104.715 -4.203 -18.614 1.00 0.00 C ATOM 233 O LEU A 14 105.887 -4.258 -18.285 1.00 0.00 O ATOM 234 CB LEU A 14 104.518 -2.302 -20.218 1.00 0.00 C ATOM 235 CG LEU A 14 104.110 -0.827 -20.444 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.927 -0.605 -21.949 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.799 -0.472 -19.722 1.00 0.00 C ATOM 0 H LEU A 14 105.313 -1.427 -17.931 1.00 0.00 H new ATOM 0 HA LEU A 14 102.956 -3.012 -18.884 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.604 -2.383 -20.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.113 -2.911 -21.026 1.00 0.00 H new ATOM 0 HG LEU A 14 104.894 -0.187 -20.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.639 0.430 -22.132 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.864 -0.817 -22.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.148 -1.270 -22.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.552 0.573 -19.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.995 -1.107 -20.094 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.920 -0.630 -18.650 1.00 0.00 H new ATOM 249 N LEU A 15 103.990 -5.277 -18.760 1.00 0.00 N ATOM 250 CA LEU A 15 104.609 -6.621 -18.572 1.00 0.00 C ATOM 251 C LEU A 15 105.327 -7.049 -19.855 1.00 0.00 C ATOM 252 O LEU A 15 105.302 -6.353 -20.854 1.00 0.00 O ATOM 253 CB LEU A 15 103.451 -7.572 -18.256 1.00 0.00 C ATOM 254 CG LEU A 15 102.805 -7.178 -16.925 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.495 -7.946 -16.746 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.755 -7.522 -15.775 1.00 0.00 C ATOM 0 H LEU A 15 102.999 -5.284 -19.001 1.00 0.00 H new ATOM 0 HA LEU A 15 105.350 -6.622 -17.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.710 -7.536 -19.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.815 -8.598 -18.205 1.00 0.00 H new ATOM 0 HG LEU A 15 102.603 -6.107 -16.924 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.035 -7.665 -15.798 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.817 -7.704 -17.564 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.698 -9.017 -16.748 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.295 -7.242 -14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.957 -8.593 -15.778 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.690 -6.976 -15.900 1.00 0.00 H new ATOM 268 N ASN A 16 105.966 -8.193 -19.828 1.00 0.00 N ATOM 269 CA ASN A 16 106.752 -8.669 -21.021 1.00 0.00 C ATOM 270 C ASN A 16 105.864 -8.788 -22.271 1.00 0.00 C ATOM 271 O ASN A 16 106.354 -8.772 -23.386 1.00 0.00 O ATOM 272 CB ASN A 16 107.313 -10.047 -20.623 1.00 0.00 C ATOM 273 CG ASN A 16 106.170 -11.007 -20.264 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.316 -11.287 -21.081 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.122 -11.524 -19.067 1.00 0.00 N ATOM 0 H ASN A 16 105.980 -8.825 -19.028 1.00 0.00 H new ATOM 0 HA ASN A 16 107.543 -7.964 -21.277 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.898 -10.460 -21.445 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.987 -9.941 -19.773 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.367 -12.163 -18.817 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.839 -11.289 -18.381 1.00 0.00 H new ATOM 282 N ASN A 17 104.569 -8.904 -22.094 1.00 0.00 N ATOM 283 CA ASN A 17 103.661 -9.107 -23.267 1.00 0.00 C ATOM 284 C ASN A 17 102.926 -7.803 -23.632 1.00 0.00 C ATOM 285 O ASN A 17 101.836 -7.839 -24.171 1.00 0.00 O ATOM 286 CB ASN A 17 102.668 -10.198 -22.832 1.00 0.00 C ATOM 287 CG ASN A 17 101.869 -9.749 -21.601 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.861 -9.086 -21.727 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.282 -10.090 -20.410 1.00 0.00 N ATOM 0 H ASN A 17 104.102 -8.867 -21.188 1.00 0.00 H new ATOM 0 HA ASN A 17 104.216 -9.400 -24.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.986 -10.423 -23.652 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.208 -11.118 -22.605 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.757 -9.799 -19.585 1.00 0.00 H new ATOM 0 HD22 ASN A 17 103.130 -10.648 -20.304 1.00 0.00 H new ATOM 296 N ASP A 18 103.511 -6.651 -23.339 1.00 0.00 N ATOM 297 CA ASP A 18 102.932 -5.342 -23.806 1.00 0.00 C ATOM 298 C ASP A 18 101.502 -5.158 -23.280 1.00 0.00 C ATOM 299 O ASP A 18 100.704 -4.458 -23.876 1.00 0.00 O ATOM 300 CB ASP A 18 102.940 -5.394 -25.342 1.00 0.00 C ATOM 301 CG ASP A 18 104.384 -5.473 -25.848 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.222 -4.772 -25.305 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.626 -6.233 -26.770 1.00 0.00 O ATOM 0 H ASP A 18 104.369 -6.566 -22.794 1.00 0.00 H new ATOM 0 HA ASP A 18 103.515 -4.500 -23.433 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.375 -6.259 -25.689 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.450 -4.509 -25.748 1.00 0.00 H new ATOM 308 N SER A 19 101.175 -5.780 -22.170 1.00 0.00 N ATOM 309 CA SER A 19 99.894 -5.455 -21.476 1.00 0.00 C ATOM 310 C SER A 19 100.177 -4.463 -20.350 1.00 0.00 C ATOM 311 O SER A 19 101.099 -4.645 -19.575 1.00 0.00 O ATOM 312 CB SER A 19 99.390 -6.783 -20.912 1.00 0.00 C ATOM 313 OG SER A 19 100.345 -7.295 -19.992 1.00 0.00 O ATOM 0 H SER A 19 101.742 -6.497 -21.718 1.00 0.00 H new ATOM 0 HA SER A 19 99.156 -5.003 -22.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.430 -6.640 -20.416 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.228 -7.496 -21.720 1.00 0.00 H new ATOM 0 HG SER A 19 100.513 -8.241 -20.187 1.00 0.00 H new ATOM 319 N LYS A 20 99.394 -3.420 -20.250 1.00 0.00 N ATOM 320 CA LYS A 20 99.737 -2.314 -19.306 1.00 0.00 C ATOM 321 C LYS A 20 98.764 -2.292 -18.124 1.00 0.00 C ATOM 322 O LYS A 20 97.567 -2.446 -18.291 1.00 0.00 O ATOM 323 CB LYS A 20 99.603 -1.015 -20.121 1.00 0.00 C ATOM 324 CG LYS A 20 100.369 -1.117 -21.453 1.00 0.00 C ATOM 325 CD LYS A 20 99.412 -1.530 -22.575 1.00 0.00 C ATOM 326 CE LYS A 20 100.004 -1.119 -23.926 1.00 0.00 C ATOM 327 NZ LYS A 20 98.834 -1.019 -24.842 1.00 0.00 N ATOM 0 H LYS A 20 98.533 -3.286 -20.780 1.00 0.00 H new ATOM 0 HA LYS A 20 100.739 -2.438 -18.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.550 -0.812 -20.318 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.986 -0.176 -19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.830 -0.159 -21.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.175 -1.846 -21.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.248 -2.607 -22.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.441 -1.057 -22.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.531 -0.168 -23.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.723 -1.856 -24.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.158 -0.741 -25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.356 -1.941 -24.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.170 -0.305 -24.480 1.00 0.00 H new ATOM 341 N ALA A 21 99.276 -2.100 -16.932 1.00 0.00 N ATOM 342 CA ALA A 21 98.392 -1.973 -15.733 1.00 0.00 C ATOM 343 C ALA A 21 98.957 -0.916 -14.776 1.00 0.00 C ATOM 344 O ALA A 21 100.154 -0.711 -14.710 1.00 0.00 O ATOM 345 CB ALA A 21 98.410 -3.353 -15.078 1.00 0.00 C ATOM 0 H ALA A 21 100.275 -2.026 -16.738 1.00 0.00 H new ATOM 0 HA ALA A 21 97.381 -1.662 -15.994 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.782 -3.341 -14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.029 -4.094 -15.781 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.432 -3.610 -14.798 1.00 0.00 H new ATOM 351 N ARG A 22 98.103 -0.249 -14.035 1.00 0.00 N ATOM 352 CA ARG A 22 98.584 0.814 -13.095 1.00 0.00 C ATOM 353 C ARG A 22 97.786 0.779 -11.789 1.00 0.00 C ATOM 354 O ARG A 22 96.628 0.408 -11.772 1.00 0.00 O ATOM 355 CB ARG A 22 98.369 2.146 -13.834 1.00 0.00 C ATOM 356 CG ARG A 22 96.887 2.337 -14.182 1.00 0.00 C ATOM 357 CD ARG A 22 96.736 3.524 -15.141 1.00 0.00 C ATOM 358 NE ARG A 22 95.259 3.687 -15.343 1.00 0.00 N ATOM 359 CZ ARG A 22 94.753 4.798 -15.843 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.516 5.809 -16.190 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.461 4.892 -15.998 1.00 0.00 N ATOM 0 H ARG A 22 97.094 -0.395 -14.041 1.00 0.00 H new ATOM 0 HA ARG A 22 99.630 0.672 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.712 2.973 -13.212 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.967 2.163 -14.745 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.491 1.432 -14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.309 2.513 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.177 4.428 -14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.243 3.332 -16.087 1.00 0.00 H new ATOM 0 HE ARG A 22 94.633 2.923 -15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.528 5.747 -16.075 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.097 6.656 -16.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.858 4.113 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.054 5.744 -16.383 1.00 0.00 H new ATOM 375 N GLY A 23 98.407 1.164 -10.699 1.00 0.00 N ATOM 376 CA GLY A 23 97.694 1.170 -9.385 1.00 0.00 C ATOM 377 C GLY A 23 98.659 1.632 -8.290 1.00 0.00 C ATOM 378 O GLY A 23 99.772 2.038 -8.570 1.00 0.00 O ATOM 0 H GLY A 23 99.378 1.474 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.831 1.834 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.318 0.173 -9.157 1.00 0.00 H new ATOM 382 N VAL A 24 98.243 1.571 -7.047 1.00 0.00 N ATOM 383 CA VAL A 24 99.117 2.055 -5.931 1.00 0.00 C ATOM 384 C VAL A 24 99.966 0.895 -5.397 1.00 0.00 C ATOM 385 O VAL A 24 99.488 -0.212 -5.245 1.00 0.00 O ATOM 386 CB VAL A 24 98.155 2.574 -4.847 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.957 3.145 -3.674 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.267 3.681 -5.426 1.00 0.00 C ATOM 0 H VAL A 24 97.335 1.207 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 24 99.806 2.836 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 24 97.534 1.747 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.272 3.511 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.589 2.364 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.581 3.967 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.588 4.044 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.892 4.503 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.688 3.284 -6.260 1.00 0.00 H new ATOM 398 N ILE A 25 101.219 1.147 -5.114 1.00 0.00 N ATOM 399 CA ILE A 25 102.118 0.057 -4.613 1.00 0.00 C ATOM 400 C ILE A 25 101.861 -0.188 -3.120 1.00 0.00 C ATOM 401 O ILE A 25 101.664 0.739 -2.358 1.00 0.00 O ATOM 402 CB ILE A 25 103.549 0.576 -4.854 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.787 0.726 -6.362 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.584 -0.399 -4.270 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.035 1.578 -6.603 1.00 0.00 C ATOM 0 H ILE A 25 101.661 2.061 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 25 101.948 -0.893 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 25 103.660 1.541 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.910 -0.255 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.921 1.191 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.588 -0.015 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.422 -0.502 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.477 -1.373 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.202 1.683 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.894 2.564 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.899 1.095 -6.147 1.00 0.00 H new ATOM 417 N THR A 26 101.862 -1.435 -2.705 1.00 0.00 N ATOM 418 CA THR A 26 101.607 -1.749 -1.264 1.00 0.00 C ATOM 419 C THR A 26 102.739 -2.595 -0.664 1.00 0.00 C ATOM 420 O THR A 26 103.089 -2.424 0.490 1.00 0.00 O ATOM 421 CB THR A 26 100.293 -2.533 -1.252 1.00 0.00 C ATOM 422 OG1 THR A 26 100.388 -3.633 -2.145 1.00 0.00 O ATOM 423 CG2 THR A 26 99.142 -1.621 -1.682 1.00 0.00 C ATOM 0 H THR A 26 102.028 -2.245 -3.302 1.00 0.00 H new ATOM 0 HA THR A 26 101.555 -0.841 -0.664 1.00 0.00 H new ATOM 0 HB THR A 26 100.102 -2.900 -0.243 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.477 -3.302 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.209 -2.184 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.066 -0.781 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.330 -1.248 -2.689 1.00 0.00 H new ATOM 431 N ASN A 27 103.318 -3.502 -1.424 1.00 0.00 N ATOM 432 CA ASN A 27 104.321 -4.439 -0.825 1.00 0.00 C ATOM 433 C ASN A 27 105.520 -4.632 -1.756 1.00 0.00 C ATOM 434 O ASN A 27 105.396 -4.571 -2.964 1.00 0.00 O ATOM 435 CB ASN A 27 103.570 -5.758 -0.644 1.00 0.00 C ATOM 436 CG ASN A 27 104.346 -6.660 0.317 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.482 -6.349 1.483 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.863 -7.773 -0.126 1.00 0.00 N ATOM 0 H ASN A 27 103.140 -3.630 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 27 104.719 -4.056 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.570 -5.569 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.448 -6.254 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.381 -8.382 0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.749 -8.034 -1.105 1.00 0.00 H new ATOM 445 N PHE A 28 106.679 -4.860 -1.190 1.00 0.00 N ATOM 446 CA PHE A 28 107.879 -5.210 -2.009 1.00 0.00 C ATOM 447 C PHE A 28 108.803 -6.126 -1.202 1.00 0.00 C ATOM 448 O PHE A 28 109.125 -5.843 -0.062 1.00 0.00 O ATOM 449 CB PHE A 28 108.564 -3.875 -2.304 1.00 0.00 C ATOM 450 CG PHE A 28 109.674 -3.982 -3.324 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.367 -4.282 -4.673 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.019 -3.780 -2.931 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.407 -4.382 -5.630 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.059 -3.879 -3.888 1.00 0.00 C ATOM 455 CZ PHE A 28 111.752 -4.179 -5.237 1.00 0.00 C ATOM 0 H PHE A 28 106.846 -4.818 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 28 107.621 -5.739 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.819 -3.164 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.970 -3.471 -1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.341 -4.435 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.252 -3.550 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.174 -4.613 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.085 -3.726 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.544 -4.253 -5.967 1.00 0.00 H new ATOM 465 N ASP A 29 109.227 -7.218 -1.786 1.00 0.00 N ATOM 466 CA ASP A 29 110.062 -8.205 -1.036 1.00 0.00 C ATOM 467 C ASP A 29 111.398 -8.409 -1.753 1.00 0.00 C ATOM 468 O ASP A 29 111.433 -8.758 -2.915 1.00 0.00 O ATOM 469 CB ASP A 29 109.243 -9.498 -1.044 1.00 0.00 C ATOM 470 CG ASP A 29 109.899 -10.526 -0.120 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.696 -10.430 1.080 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.592 -11.392 -0.628 1.00 0.00 O ATOM 0 H ASP A 29 109.030 -7.470 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 29 110.291 -7.875 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.223 -9.297 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.179 -9.894 -2.058 1.00 0.00 H new ATOM 477 N SER A 30 112.491 -8.190 -1.064 1.00 0.00 N ATOM 478 CA SER A 30 113.835 -8.318 -1.714 1.00 0.00 C ATOM 479 C SER A 30 114.196 -9.794 -1.933 1.00 0.00 C ATOM 480 O SER A 30 114.917 -10.128 -2.857 1.00 0.00 O ATOM 481 CB SER A 30 114.821 -7.669 -0.739 1.00 0.00 C ATOM 482 OG SER A 30 114.908 -8.460 0.438 1.00 0.00 O ATOM 0 H SER A 30 112.512 -7.928 -0.078 1.00 0.00 H new ATOM 0 HA SER A 30 113.854 -7.841 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.803 -7.579 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.492 -6.660 -0.489 1.00 0.00 H new ATOM 0 HG SER A 30 115.540 -8.048 1.063 1.00 0.00 H new ATOM 488 N SER A 31 113.702 -10.674 -1.094 1.00 0.00 N ATOM 489 CA SER A 31 114.080 -12.124 -1.206 1.00 0.00 C ATOM 490 C SER A 31 113.591 -12.711 -2.536 1.00 0.00 C ATOM 491 O SER A 31 114.305 -13.448 -3.192 1.00 0.00 O ATOM 492 CB SER A 31 113.386 -12.818 -0.031 1.00 0.00 C ATOM 493 OG SER A 31 113.671 -12.109 1.167 1.00 0.00 O ATOM 0 H SER A 31 113.055 -10.454 -0.337 1.00 0.00 H new ATOM 0 HA SER A 31 115.161 -12.260 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.310 -12.854 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.730 -13.849 0.052 1.00 0.00 H new ATOM 0 HG SER A 31 113.227 -12.549 1.921 1.00 0.00 H new ATOM 499 N ASN A 32 112.384 -12.389 -2.934 1.00 0.00 N ATOM 500 CA ASN A 32 111.836 -12.937 -4.217 1.00 0.00 C ATOM 501 C ASN A 32 111.390 -11.809 -5.166 1.00 0.00 C ATOM 502 O ASN A 32 110.839 -12.071 -6.218 1.00 0.00 O ATOM 503 CB ASN A 32 110.633 -13.784 -3.800 1.00 0.00 C ATOM 504 CG ASN A 32 111.109 -14.996 -2.994 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.138 -15.572 -3.292 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.402 -15.410 -1.979 1.00 0.00 N ATOM 0 H ASN A 32 111.753 -11.769 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 32 112.587 -13.512 -4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.944 -13.186 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.085 -14.114 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.712 -16.216 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.539 -14.928 -1.728 1.00 0.00 H new ATOM 513 N SER A 33 111.623 -10.559 -4.805 1.00 0.00 N ATOM 514 CA SER A 33 111.190 -9.403 -5.669 1.00 0.00 C ATOM 515 C SER A 33 109.703 -9.525 -6.046 1.00 0.00 C ATOM 516 O SER A 33 109.355 -9.725 -7.196 1.00 0.00 O ATOM 517 CB SER A 33 112.081 -9.469 -6.915 1.00 0.00 C ATOM 518 OG SER A 33 113.434 -9.653 -6.517 1.00 0.00 O ATOM 0 H SER A 33 112.098 -10.291 -3.943 1.00 0.00 H new ATOM 0 HA SER A 33 111.295 -8.450 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.765 -10.290 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.982 -8.552 -7.496 1.00 0.00 H new ATOM 0 HG SER A 33 114.006 -9.697 -7.312 1.00 0.00 H new ATOM 524 N ILE A 34 108.829 -9.403 -5.075 1.00 0.00 N ATOM 525 CA ILE A 34 107.362 -9.512 -5.357 1.00 0.00 C ATOM 526 C ILE A 34 106.671 -8.187 -5.011 1.00 0.00 C ATOM 527 O ILE A 34 106.918 -7.605 -3.973 1.00 0.00 O ATOM 528 CB ILE A 34 106.848 -10.650 -4.455 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.650 -11.948 -4.707 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.362 -10.905 -4.735 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.509 -12.422 -6.165 1.00 0.00 C ATOM 0 H ILE A 34 109.069 -9.232 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 34 107.157 -9.720 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 34 106.978 -10.352 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.702 -11.777 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.300 -12.730 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.004 -11.711 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.792 -9.998 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.232 -11.187 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.085 -13.336 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.459 -12.617 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.883 -11.649 -6.837 1.00 0.00 H new ATOM 543 N LEU A 35 105.808 -7.717 -5.878 1.00 0.00 N ATOM 544 CA LEU A 35 105.182 -6.373 -5.679 1.00 0.00 C ATOM 545 C LEU A 35 103.657 -6.490 -5.713 1.00 0.00 C ATOM 546 O LEU A 35 103.086 -6.961 -6.679 1.00 0.00 O ATOM 547 CB LEU A 35 105.686 -5.538 -6.859 1.00 0.00 C ATOM 548 CG LEU A 35 105.220 -4.085 -6.711 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.214 -3.313 -5.840 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.144 -3.436 -8.094 1.00 0.00 C ATOM 0 H LEU A 35 105.509 -8.210 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 35 105.440 -5.927 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.774 -5.577 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.314 -5.954 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 35 104.237 -4.064 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.881 -2.280 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.271 -3.777 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.198 -3.331 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.813 -2.402 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.129 -3.458 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.436 -3.985 -8.715 1.00 0.00 H new ATOM 562 N GLN A 36 103.000 -6.063 -4.665 1.00 0.00 N ATOM 563 CA GLN A 36 101.509 -6.033 -4.670 1.00 0.00 C ATOM 564 C GLN A 36 101.020 -4.631 -5.032 1.00 0.00 C ATOM 565 O GLN A 36 101.442 -3.649 -4.445 1.00 0.00 O ATOM 566 CB GLN A 36 101.094 -6.398 -3.245 1.00 0.00 C ATOM 567 CG GLN A 36 101.282 -7.901 -3.028 1.00 0.00 C ATOM 568 CD GLN A 36 100.810 -8.278 -1.622 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.689 -8.450 -0.675 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.626 -8.418 -1.385 1.00 0.00 N flip ATOM 0 H GLN A 36 103.435 -5.733 -3.804 1.00 0.00 H new ATOM 0 HA GLN A 36 101.082 -6.721 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.692 -5.838 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.053 -6.123 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.718 -8.460 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.331 -8.169 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 36 98.938 -8.283 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.320 -8.670 -0.445 1.00 0.00 H new ATOM 579 N LEU A 37 100.137 -4.535 -5.995 1.00 0.00 N ATOM 580 CA LEU A 37 99.582 -3.203 -6.384 1.00 0.00 C ATOM 581 C LEU A 37 98.108 -3.117 -5.983 1.00 0.00 C ATOM 582 O LEU A 37 97.290 -3.900 -6.431 1.00 0.00 O ATOM 583 CB LEU A 37 99.721 -3.133 -7.909 1.00 0.00 C ATOM 584 CG LEU A 37 101.201 -3.168 -8.309 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.311 -3.285 -9.832 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.893 -1.881 -7.849 1.00 0.00 C ATOM 0 H LEU A 37 99.776 -5.325 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 37 100.104 -2.382 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.193 -3.969 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.258 -2.220 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 37 101.682 -4.025 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.362 -3.310 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.822 -4.201 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.827 -2.427 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.944 -1.911 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.413 -1.022 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.815 -1.793 -6.765 1.00 0.00 H new ATOM 598 N ARG A 38 97.769 -2.171 -5.144 1.00 0.00 N ATOM 599 CA ARG A 38 96.338 -1.986 -4.754 1.00 0.00 C ATOM 600 C ARG A 38 95.718 -0.854 -5.579 1.00 0.00 C ATOM 601 O ARG A 38 96.218 0.255 -5.598 1.00 0.00 O ATOM 602 CB ARG A 38 96.374 -1.620 -3.269 1.00 0.00 C ATOM 603 CG ARG A 38 94.946 -1.570 -2.715 1.00 0.00 C ATOM 604 CD ARG A 38 94.982 -1.123 -1.250 1.00 0.00 C ATOM 605 NE ARG A 38 93.567 -1.226 -0.768 1.00 0.00 N ATOM 606 CZ ARG A 38 93.169 -0.618 0.334 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.995 0.099 1.063 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.926 -0.733 0.711 1.00 0.00 N ATOM 0 H ARG A 38 98.422 -1.518 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 38 95.737 -2.878 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.963 -2.353 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.861 -0.654 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.341 -0.880 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.479 -2.551 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.645 -1.758 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.355 -0.103 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 38 92.897 -1.778 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.971 0.196 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.660 0.558 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.274 -1.288 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.606 -0.268 1.561 1.00 0.00 H new ATOM 622 N LEU A 39 94.633 -1.131 -6.260 1.00 0.00 N ATOM 623 CA LEU A 39 94.044 -0.123 -7.190 1.00 0.00 C ATOM 624 C LEU A 39 92.826 0.559 -6.556 1.00 0.00 C ATOM 625 O LEU A 39 92.106 -0.036 -5.771 1.00 0.00 O ATOM 626 CB LEU A 39 93.644 -0.929 -8.431 1.00 0.00 C ATOM 627 CG LEU A 39 93.269 0.010 -9.588 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.458 0.904 -9.957 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.896 -0.831 -10.806 1.00 0.00 C ATOM 0 H LEU A 39 94.129 -2.017 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 39 94.744 0.678 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.468 -1.575 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.801 -1.577 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 39 92.431 0.635 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.176 1.563 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.745 1.503 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.299 0.282 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.628 -0.174 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.745 -1.450 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.048 -1.470 -10.561 1.00 0.00 H new ATOM 641 N ALA A 40 92.595 1.804 -6.904 1.00 0.00 N ATOM 642 CA ALA A 40 91.514 2.606 -6.237 1.00 0.00 C ATOM 643 C ALA A 40 90.116 2.023 -6.512 1.00 0.00 C ATOM 644 O ALA A 40 89.143 2.454 -5.921 1.00 0.00 O ATOM 645 CB ALA A 40 91.625 4.010 -6.837 1.00 0.00 C ATOM 0 H ALA A 40 93.112 2.304 -7.627 1.00 0.00 H new ATOM 0 HA ALA A 40 91.638 2.601 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.865 4.655 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.613 4.418 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.476 3.958 -7.916 1.00 0.00 H new ATOM 651 N ASN A 41 90.002 1.055 -7.395 1.00 0.00 N ATOM 652 CA ASN A 41 88.675 0.396 -7.629 1.00 0.00 C ATOM 653 C ASN A 41 88.445 -0.754 -6.628 1.00 0.00 C ATOM 654 O ASN A 41 87.777 -1.721 -6.944 1.00 0.00 O ATOM 655 CB ASN A 41 88.755 -0.154 -9.056 1.00 0.00 C ATOM 656 CG ASN A 41 87.348 -0.490 -9.553 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.500 0.375 -9.641 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.063 -1.720 -9.885 1.00 0.00 N ATOM 0 H ASN A 41 90.769 0.694 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 41 87.849 1.094 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.219 0.580 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.383 -1.045 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.128 -1.955 -10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.775 -2.446 -9.811 1.00 0.00 H new ATOM 665 N ASP A 42 88.988 -0.664 -5.421 1.00 0.00 N ATOM 666 CA ASP A 42 88.750 -1.722 -4.379 1.00 0.00 C ATOM 667 C ASP A 42 89.270 -3.083 -4.862 1.00 0.00 C ATOM 668 O ASP A 42 88.772 -4.117 -4.457 1.00 0.00 O ATOM 669 CB ASP A 42 87.229 -1.775 -4.166 1.00 0.00 C ATOM 670 CG ASP A 42 86.923 -2.500 -2.854 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.968 -1.856 -1.820 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.646 -3.687 -2.908 1.00 0.00 O ATOM 0 H ASP A 42 89.588 0.103 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 42 89.275 -1.490 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.819 -0.765 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.752 -2.291 -4.999 1.00 0.00 H new ATOM 677 N SER A 43 90.266 -3.092 -5.725 1.00 0.00 N ATOM 678 CA SER A 43 90.839 -4.388 -6.198 1.00 0.00 C ATOM 679 C SER A 43 92.332 -4.455 -5.867 1.00 0.00 C ATOM 680 O SER A 43 93.049 -3.482 -6.007 1.00 0.00 O ATOM 681 CB SER A 43 90.624 -4.389 -7.712 1.00 0.00 C ATOM 682 OG SER A 43 89.230 -4.339 -7.986 1.00 0.00 O ATOM 0 H SER A 43 90.702 -2.257 -6.118 1.00 0.00 H new ATOM 0 HA SER A 43 90.368 -5.247 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.126 -3.533 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.062 -5.285 -8.153 1.00 0.00 H new ATOM 0 HG SER A 43 88.888 -3.444 -7.779 1.00 0.00 H new ATOM 688 N THR A 44 92.801 -5.598 -5.429 1.00 0.00 N ATOM 689 CA THR A 44 94.252 -5.746 -5.092 1.00 0.00 C ATOM 690 C THR A 44 94.817 -7.019 -5.732 1.00 0.00 C ATOM 691 O THR A 44 94.167 -8.048 -5.759 1.00 0.00 O ATOM 692 CB THR A 44 94.309 -5.821 -3.555 1.00 0.00 C ATOM 693 OG1 THR A 44 95.664 -5.933 -3.142 1.00 0.00 O ATOM 694 CG2 THR A 44 93.515 -7.030 -3.033 1.00 0.00 C ATOM 0 H THR A 44 92.239 -6.438 -5.290 1.00 0.00 H new ATOM 0 HA THR A 44 94.851 -4.917 -5.470 1.00 0.00 H new ATOM 0 HB THR A 44 93.864 -4.914 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.705 -5.979 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.571 -7.060 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.473 -6.941 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.937 -7.947 -3.443 1.00 0.00 H new ATOM 702 N LYS A 45 96.022 -6.951 -6.244 1.00 0.00 N ATOM 703 CA LYS A 45 96.623 -8.142 -6.919 1.00 0.00 C ATOM 704 C LYS A 45 98.128 -8.207 -6.644 1.00 0.00 C ATOM 705 O LYS A 45 98.802 -7.194 -6.606 1.00 0.00 O ATOM 706 CB LYS A 45 96.355 -7.931 -8.410 1.00 0.00 C ATOM 707 CG LYS A 45 96.712 -9.206 -9.179 1.00 0.00 C ATOM 708 CD LYS A 45 96.259 -9.069 -10.634 1.00 0.00 C ATOM 709 CE LYS A 45 97.175 -8.085 -11.366 1.00 0.00 C ATOM 710 NZ LYS A 45 96.713 -8.110 -12.782 1.00 0.00 N ATOM 0 H LYS A 45 96.615 -6.121 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 45 96.197 -9.078 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.307 -7.679 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 45 96.945 -7.093 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.787 -9.380 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.231 -10.068 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.285 -10.041 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.227 -8.719 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.097 -7.084 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 45 98.220 -8.384 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 97.294 -7.459 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.805 -9.074 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 95.717 -7.814 -12.827 1.00 0.00 H new ATOM 724 N SER A 46 98.654 -9.393 -6.454 1.00 0.00 N ATOM 725 CA SER A 46 100.122 -9.542 -6.217 1.00 0.00 C ATOM 726 C SER A 46 100.827 -9.930 -7.519 1.00 0.00 C ATOM 727 O SER A 46 100.467 -10.899 -8.162 1.00 0.00 O ATOM 728 CB SER A 46 100.246 -10.662 -5.185 1.00 0.00 C ATOM 729 OG SER A 46 99.827 -11.889 -5.770 1.00 0.00 O ATOM 0 H SER A 46 98.127 -10.266 -6.453 1.00 0.00 H new ATOM 0 HA SER A 46 100.582 -8.617 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.277 -10.743 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.636 -10.436 -4.311 1.00 0.00 H new ATOM 0 HG SER A 46 99.639 -11.750 -6.722 1.00 0.00 H new ATOM 735 N ILE A 47 101.828 -9.178 -7.910 1.00 0.00 N ATOM 736 CA ILE A 47 102.561 -9.487 -9.177 1.00 0.00 C ATOM 737 C ILE A 47 104.067 -9.525 -8.900 1.00 0.00 C ATOM 738 O ILE A 47 104.605 -8.647 -8.251 1.00 0.00 O ATOM 739 CB ILE A 47 102.211 -8.342 -10.144 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.692 -8.287 -10.363 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.899 -8.574 -11.494 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.322 -6.986 -11.080 1.00 0.00 C ATOM 0 H ILE A 47 102.169 -8.361 -7.404 1.00 0.00 H new ATOM 0 HA ILE A 47 102.283 -10.455 -9.595 1.00 0.00 H new ATOM 0 HB ILE A 47 102.553 -7.402 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.369 -9.144 -10.954 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.174 -8.346 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.648 -7.761 -12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.979 -8.607 -11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.560 -9.519 -11.917 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.244 -6.950 -11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.631 -6.135 -10.472 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.828 -6.946 -12.045 1.00 0.00 H new ATOM 754 N VAL A 48 104.747 -10.533 -9.389 1.00 0.00 N ATOM 755 CA VAL A 48 106.228 -10.609 -9.183 1.00 0.00 C ATOM 756 C VAL A 48 106.924 -9.655 -10.159 1.00 0.00 C ATOM 757 O VAL A 48 106.572 -9.580 -11.319 1.00 0.00 O ATOM 758 CB VAL A 48 106.625 -12.070 -9.463 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.117 -12.267 -9.159 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.786 -13.028 -8.595 1.00 0.00 C ATOM 0 H VAL A 48 104.343 -11.304 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.318 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 48 106.436 -12.292 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.395 -13.302 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.708 -11.604 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.309 -12.035 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.077 -14.057 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.957 -12.809 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.729 -12.896 -8.826 1.00 0.00 H new ATOM 770 N THR A 49 107.908 -8.930 -9.692 1.00 0.00 N ATOM 771 CA THR A 49 108.532 -7.857 -10.535 1.00 0.00 C ATOM 772 C THR A 49 109.220 -8.447 -11.771 1.00 0.00 C ATOM 773 O THR A 49 109.389 -7.771 -12.770 1.00 0.00 O ATOM 774 CB THR A 49 109.556 -7.158 -9.633 1.00 0.00 C ATOM 775 OG1 THR A 49 110.490 -8.114 -9.153 1.00 0.00 O ATOM 776 CG2 THR A 49 108.841 -6.499 -8.451 1.00 0.00 C ATOM 0 H THR A 49 108.310 -9.033 -8.760 1.00 0.00 H new ATOM 0 HA THR A 49 107.777 -7.163 -10.905 1.00 0.00 H new ATOM 0 HB THR A 49 110.079 -6.392 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.105 -8.593 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.573 -6.004 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.127 -5.764 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.313 -7.259 -7.875 1.00 0.00 H new ATOM 784 N LYS A 50 109.623 -9.694 -11.718 1.00 0.00 N ATOM 785 CA LYS A 50 110.391 -10.292 -12.862 1.00 0.00 C ATOM 786 C LYS A 50 109.592 -10.204 -14.168 1.00 0.00 C ATOM 787 O LYS A 50 110.160 -10.196 -15.246 1.00 0.00 O ATOM 788 CB LYS A 50 110.630 -11.756 -12.475 1.00 0.00 C ATOM 789 CG LYS A 50 111.620 -12.389 -13.456 1.00 0.00 C ATOM 790 CD LYS A 50 113.031 -11.880 -13.158 1.00 0.00 C ATOM 791 CE LYS A 50 114.033 -12.582 -14.078 1.00 0.00 C ATOM 792 NZ LYS A 50 115.365 -12.321 -13.464 1.00 0.00 N ATOM 0 H LYS A 50 109.455 -10.325 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.326 -9.759 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.020 -11.815 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.688 -12.305 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.588 -13.475 -13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.342 -12.141 -14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.079 -10.801 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.284 -12.069 -12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.830 -13.651 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.981 -12.187 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 116.106 -12.771 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.534 -11.296 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.386 -12.714 -12.501 1.00 0.00 H new ATOM 806 N ASP A 51 108.285 -10.139 -14.081 1.00 0.00 N ATOM 807 CA ASP A 51 107.462 -9.963 -15.321 1.00 0.00 C ATOM 808 C ASP A 51 107.298 -8.473 -15.678 1.00 0.00 C ATOM 809 O ASP A 51 106.525 -8.132 -16.555 1.00 0.00 O ATOM 810 CB ASP A 51 106.101 -10.621 -15.027 1.00 0.00 C ATOM 811 CG ASP A 51 105.415 -9.965 -13.820 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.327 -8.748 -13.792 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.982 -10.696 -12.945 1.00 0.00 O ATOM 0 H ASP A 51 107.755 -10.200 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 51 107.945 -10.425 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.458 -10.539 -15.903 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.243 -11.684 -14.834 1.00 0.00 H new ATOM 818 N ILE A 52 108.011 -7.585 -15.014 1.00 0.00 N ATOM 819 CA ILE A 52 107.974 -6.139 -15.415 1.00 0.00 C ATOM 820 C ILE A 52 108.871 -5.915 -16.637 1.00 0.00 C ATOM 821 O ILE A 52 110.080 -6.041 -16.557 1.00 0.00 O ATOM 822 CB ILE A 52 108.508 -5.355 -14.198 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.558 -5.551 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.615 -3.854 -14.540 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.141 -4.872 -11.757 1.00 0.00 C ATOM 0 H ILE A 52 108.612 -7.799 -14.218 1.00 0.00 H new ATOM 0 HA ILE A 52 106.970 -5.814 -15.686 1.00 0.00 H new ATOM 0 HB ILE A 52 109.499 -5.728 -13.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.579 -5.130 -13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.412 -6.614 -12.815 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.993 -3.310 -13.675 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.297 -3.720 -15.379 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.630 -3.471 -14.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.464 -5.014 -10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.110 -5.313 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.264 -3.806 -11.947 1.00 0.00 H new ATOM 837 N LYS A 53 108.284 -5.588 -17.762 1.00 0.00 N ATOM 838 CA LYS A 53 109.108 -5.179 -18.944 1.00 0.00 C ATOM 839 C LYS A 53 109.442 -3.687 -18.868 1.00 0.00 C ATOM 840 O LYS A 53 110.531 -3.272 -19.222 1.00 0.00 O ATOM 841 CB LYS A 53 108.244 -5.463 -20.169 1.00 0.00 C ATOM 842 CG LYS A 53 109.123 -5.485 -21.420 1.00 0.00 C ATOM 843 CD LYS A 53 108.239 -5.591 -22.665 1.00 0.00 C ATOM 844 CE LYS A 53 109.121 -5.724 -23.908 1.00 0.00 C ATOM 845 NZ LYS A 53 108.192 -6.147 -24.994 1.00 0.00 N ATOM 0 H LYS A 53 107.275 -5.586 -17.914 1.00 0.00 H new ATOM 0 HA LYS A 53 110.053 -5.721 -18.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.734 -6.419 -20.053 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.472 -4.700 -20.267 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.729 -4.580 -21.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.812 -6.328 -21.378 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.577 -6.453 -22.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.604 -4.709 -22.749 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.608 -4.779 -24.150 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.911 -6.459 -23.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.641 -5.984 -25.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.973 -7.158 -24.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.313 -5.594 -24.934 1.00 0.00 H new ATOM 859 N ASP A 54 108.514 -2.880 -18.409 1.00 0.00 N ATOM 860 CA ASP A 54 108.741 -1.394 -18.413 1.00 0.00 C ATOM 861 C ASP A 54 107.989 -0.723 -17.261 1.00 0.00 C ATOM 862 O ASP A 54 106.910 -1.141 -16.892 1.00 0.00 O ATOM 863 CB ASP A 54 108.196 -0.899 -19.755 1.00 0.00 C ATOM 864 CG ASP A 54 109.061 -1.435 -20.896 1.00 0.00 C ATOM 865 OD1 ASP A 54 108.756 -2.508 -21.389 1.00 0.00 O ATOM 866 OD2 ASP A 54 110.014 -0.764 -21.258 1.00 0.00 O ATOM 0 H ASP A 54 107.615 -3.181 -18.034 1.00 0.00 H new ATOM 0 HA ASP A 54 109.797 -1.154 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.165 -1.228 -19.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.187 0.191 -19.774 1.00 0.00 H new ATOM 871 N LEU A 55 108.554 0.321 -16.700 1.00 0.00 N ATOM 872 CA LEU A 55 107.925 0.984 -15.513 1.00 0.00 C ATOM 873 C LEU A 55 107.777 2.493 -15.742 1.00 0.00 C ATOM 874 O LEU A 55 108.619 3.119 -16.359 1.00 0.00 O ATOM 875 CB LEU A 55 108.893 0.729 -14.356 1.00 0.00 C ATOM 876 CG LEU A 55 108.762 -0.718 -13.877 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.072 -1.164 -13.227 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.629 -0.814 -12.852 1.00 0.00 C ATOM 0 H LEU A 55 109.427 0.744 -17.015 1.00 0.00 H new ATOM 0 HA LEU A 55 106.926 0.592 -15.319 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.916 0.924 -14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.681 1.414 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 55 108.542 -1.362 -14.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.977 -2.195 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.881 -1.095 -13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.294 -0.520 -12.376 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.534 -1.845 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.851 -0.168 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.693 -0.498 -13.313 1.00 0.00 H new ATOM 890 N ARG A 56 106.711 3.074 -15.246 1.00 0.00 N ATOM 891 CA ARG A 56 106.583 4.565 -15.255 1.00 0.00 C ATOM 892 C ARG A 56 105.790 5.029 -14.023 1.00 0.00 C ATOM 893 O ARG A 56 105.056 4.262 -13.427 1.00 0.00 O ATOM 894 CB ARG A 56 105.844 4.902 -16.564 1.00 0.00 C ATOM 895 CG ARG A 56 104.368 4.474 -16.484 1.00 0.00 C ATOM 896 CD ARG A 56 103.855 4.091 -17.876 1.00 0.00 C ATOM 897 NE ARG A 56 103.937 5.344 -18.695 1.00 0.00 N ATOM 898 CZ ARG A 56 103.883 5.309 -20.013 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.751 4.178 -20.668 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.961 6.425 -20.683 1.00 0.00 N ATOM 0 H ARG A 56 105.921 2.577 -14.834 1.00 0.00 H new ATOM 0 HA ARG A 56 107.548 5.069 -15.210 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.907 5.973 -16.757 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.329 4.398 -17.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.263 3.629 -15.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.767 5.287 -16.077 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.461 3.297 -18.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.831 3.720 -17.828 1.00 0.00 H new ATOM 0 HE ARG A 56 104.037 6.243 -18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.687 3.297 -20.157 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.712 4.180 -21.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.062 7.311 -20.188 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.921 6.412 -21.702 1.00 0.00 H new ATOM 914 N ILE A 57 105.935 6.275 -13.642 1.00 0.00 N ATOM 915 CA ILE A 57 105.128 6.818 -12.503 1.00 0.00 C ATOM 916 C ILE A 57 104.160 7.885 -13.027 1.00 0.00 C ATOM 917 O ILE A 57 104.553 8.791 -13.740 1.00 0.00 O ATOM 918 CB ILE A 57 106.148 7.427 -11.525 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.141 6.345 -11.069 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.415 7.982 -10.299 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.287 6.988 -10.281 1.00 0.00 C ATOM 0 H ILE A 57 106.578 6.941 -14.071 1.00 0.00 H new ATOM 0 HA ILE A 57 104.528 6.051 -12.012 1.00 0.00 H new ATOM 0 HB ILE A 57 106.688 8.230 -12.027 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.630 5.608 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.536 5.814 -11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.138 8.413 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.711 8.752 -10.614 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.874 7.176 -9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.987 6.216 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.805 7.708 -10.915 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.885 7.499 -9.406 1.00 0.00 H new ATOM 933 N LEU A 58 102.900 7.782 -12.677 1.00 0.00 N ATOM 934 CA LEU A 58 101.874 8.701 -13.265 1.00 0.00 C ATOM 935 C LEU A 58 101.733 9.963 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.949 9.904 -11.200 1.00 0.00 O ATOM 937 CB LEU A 58 100.563 7.904 -13.267 1.00 0.00 C ATOM 938 CG LEU A 58 100.710 6.645 -14.131 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.558 5.684 -13.830 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.680 7.027 -15.611 1.00 0.00 C ATOM 0 H LEU A 58 102.538 7.101 -12.009 1.00 0.00 H new ATOM 0 HA LEU A 58 102.148 9.029 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.297 7.625 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.752 8.524 -13.650 1.00 0.00 H new ATOM 0 HG LEU A 58 101.660 6.161 -13.903 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.661 4.789 -14.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.582 5.407 -12.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.609 6.171 -14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.785 6.130 -16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.733 7.514 -15.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.501 7.710 -15.827 1.00 0.00 H new ATOM 952 N PRO A 59 101.372 11.070 -13.021 1.00 0.00 N ATOM 953 CA PRO A 59 101.191 12.337 -12.264 1.00 0.00 C ATOM 954 C PRO A 59 99.933 12.257 -11.391 1.00 0.00 C ATOM 955 O PRO A 59 99.972 12.533 -10.207 1.00 0.00 O ATOM 956 CB PRO A 59 101.031 13.398 -13.353 1.00 0.00 C ATOM 957 CG PRO A 59 100.576 12.654 -14.567 1.00 0.00 C ATOM 958 CD PRO A 59 101.107 11.249 -14.459 1.00 0.00 C ATOM 0 HA PRO A 59 102.020 12.554 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 59 100.303 14.155 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.972 13.915 -13.539 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.488 12.649 -14.629 1.00 0.00 H new ATOM 0 HG3 PRO A 59 100.945 13.135 -15.473 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.383 10.521 -14.824 1.00 0.00 H new ATOM 0 HD3 PRO A 59 102.014 11.120 -15.050 1.00 0.00 H new ATOM 966 N LYS A 60 98.814 11.879 -11.976 1.00 0.00 N ATOM 967 CA LYS A 60 97.527 11.763 -11.203 1.00 0.00 C ATOM 968 C LYS A 60 97.221 13.063 -10.443 1.00 0.00 C ATOM 969 O LYS A 60 97.631 13.240 -9.310 1.00 0.00 O ATOM 970 CB LYS A 60 97.740 10.599 -10.226 1.00 0.00 C ATOM 971 CG LYS A 60 96.406 10.229 -9.575 1.00 0.00 C ATOM 972 CD LYS A 60 96.622 9.080 -8.588 1.00 0.00 C ATOM 973 CE LYS A 60 95.268 8.567 -8.093 1.00 0.00 C ATOM 974 NZ LYS A 60 95.500 7.135 -7.753 1.00 0.00 N ATOM 0 H LYS A 60 98.737 11.644 -12.965 1.00 0.00 H new ATOM 0 HA LYS A 60 96.678 11.587 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 60 98.151 9.738 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.464 10.880 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 60 95.989 11.093 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 95.685 9.936 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 60 97.174 8.273 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 60 97.224 9.420 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 94.927 9.129 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 60 94.502 8.671 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 94.615 6.713 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 95.817 6.624 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 96.229 7.067 -7.015 1.00 0.00 H new ATOM 988 N ASN A 61 96.504 13.967 -11.065 1.00 0.00 N ATOM 989 CA ASN A 61 96.149 15.255 -10.390 1.00 0.00 C ATOM 990 C ASN A 61 94.729 15.687 -10.778 1.00 0.00 C ATOM 991 O ASN A 61 94.124 15.121 -11.670 1.00 0.00 O ATOM 992 CB ASN A 61 97.191 16.274 -10.878 1.00 0.00 C ATOM 993 CG ASN A 61 97.147 16.400 -12.408 1.00 0.00 C ATOM 994 OD1 ASN A 61 96.127 16.745 -12.973 1.00 0.00 O ATOM 995 ND2 ASN A 61 98.218 16.133 -13.104 1.00 0.00 N ATOM 0 H ASN A 61 96.148 13.868 -12.016 1.00 0.00 H new ATOM 0 HA ASN A 61 96.160 15.166 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 61 96.999 17.245 -10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 61 98.187 15.964 -10.562 1.00 0.00 H new ATOM 0 HD21 ASN A 61 98.199 16.214 -14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 61 99.074 15.844 -12.631 1.00 0.00 H new ATOM 1002 N GLU A 62 94.199 16.686 -10.113 1.00 0.00 N ATOM 1003 CA GLU A 62 92.820 17.167 -10.437 1.00 0.00 C ATOM 1004 C GLU A 62 92.787 18.698 -10.477 1.00 0.00 C ATOM 1005 O GLU A 62 93.434 19.360 -9.685 1.00 0.00 O ATOM 1006 CB GLU A 62 91.939 16.644 -9.301 1.00 0.00 C ATOM 1007 CG GLU A 62 91.874 15.115 -9.363 1.00 0.00 C ATOM 1008 CD GLU A 62 90.916 14.591 -8.287 1.00 0.00 C ATOM 1009 OE1 GLU A 62 90.896 15.160 -7.207 1.00 0.00 O ATOM 1010 OE2 GLU A 62 90.220 13.628 -8.562 1.00 0.00 O ATOM 0 H GLU A 62 94.664 17.190 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 62 92.481 16.816 -11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 62 92.341 16.962 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 62 90.937 17.064 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 62 91.537 14.796 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 62 92.868 14.693 -9.214 1.00 0.00 H new ATOM 1017 N ILE A 63 92.037 19.261 -11.395 1.00 0.00 N ATOM 1018 CA ILE A 63 91.932 20.751 -11.484 1.00 0.00 C ATOM 1019 C ILE A 63 90.456 21.172 -11.561 1.00 0.00 C ATOM 1020 O ILE A 63 89.661 20.551 -12.245 1.00 0.00 O ATOM 1021 CB ILE A 63 92.698 21.132 -12.765 1.00 0.00 C ATOM 1022 CG1 ILE A 63 92.714 22.656 -12.922 1.00 0.00 C ATOM 1023 CG2 ILE A 63 92.033 20.501 -13.996 1.00 0.00 C ATOM 1024 CD1 ILE A 63 93.654 23.266 -11.881 1.00 0.00 C ATOM 0 H ILE A 63 91.491 18.750 -12.089 1.00 0.00 H new ATOM 0 HA ILE A 63 92.349 21.254 -10.612 1.00 0.00 H new ATOM 0 HB ILE A 63 93.719 20.759 -12.684 1.00 0.00 H new ATOM 0 HG12 ILE A 63 93.042 22.925 -13.926 1.00 0.00 H new ATOM 0 HG13 ILE A 63 91.708 23.056 -12.797 1.00 0.00 H new ATOM 0 HG21 ILE A 63 92.587 20.780 -14.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 92.033 19.416 -13.893 1.00 0.00 H new ATOM 0 HG23 ILE A 63 91.006 20.858 -14.078 1.00 0.00 H new ATOM 0 HD11 ILE A 63 93.666 24.350 -11.992 1.00 0.00 H new ATOM 0 HD12 ILE A 63 93.306 23.008 -10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 63 94.661 22.875 -12.027 1.00 0.00 H new ATOM 1036 N MET A 64 90.091 22.222 -10.864 1.00 0.00 N ATOM 1037 CA MET A 64 88.674 22.698 -10.894 1.00 0.00 C ATOM 1038 C MET A 64 88.594 24.087 -11.552 1.00 0.00 C ATOM 1039 O MET A 64 89.561 24.825 -11.531 1.00 0.00 O ATOM 1040 CB MET A 64 88.252 22.777 -9.426 1.00 0.00 C ATOM 1041 CG MET A 64 88.063 21.363 -8.873 1.00 0.00 C ATOM 1042 SD MET A 64 86.504 20.679 -9.484 1.00 0.00 S ATOM 1043 CE MET A 64 86.676 19.033 -8.755 1.00 0.00 C ATOM 0 H MET A 64 90.717 22.771 -10.274 1.00 0.00 H new ATOM 0 HA MET A 64 88.028 22.035 -11.470 1.00 0.00 H new ATOM 0 HB2 MET A 64 89.008 23.307 -8.847 1.00 0.00 H new ATOM 0 HB3 MET A 64 87.325 23.342 -9.333 1.00 0.00 H new ATOM 0 HG2 MET A 64 88.895 20.728 -9.177 1.00 0.00 H new ATOM 0 HG3 MET A 64 88.061 21.385 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 64 85.805 18.429 -9.011 1.00 0.00 H new ATOM 0 HE2 MET A 64 87.576 18.555 -9.143 1.00 0.00 H new ATOM 0 HE3 MET A 64 86.751 19.121 -7.671 1.00 0.00 H new ATOM 1053 N PRO A 65 87.443 24.404 -12.116 1.00 0.00 N ATOM 1054 CA PRO A 65 87.263 25.725 -12.775 1.00 0.00 C ATOM 1055 C PRO A 65 87.244 26.843 -11.725 1.00 0.00 C ATOM 1056 O PRO A 65 86.457 26.819 -10.798 1.00 0.00 O ATOM 1057 CB PRO A 65 85.908 25.610 -13.472 1.00 0.00 C ATOM 1058 CG PRO A 65 85.184 24.518 -12.752 1.00 0.00 C ATOM 1059 CD PRO A 65 86.223 23.581 -12.198 1.00 0.00 C ATOM 0 HA PRO A 65 88.067 25.968 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 65 85.357 26.549 -13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 65 86.028 25.372 -14.529 1.00 0.00 H new ATOM 0 HG2 PRO A 65 84.570 24.928 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 65 84.513 23.990 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 65 85.934 23.199 -11.219 1.00 0.00 H new ATOM 0 HD3 PRO A 65 86.368 22.718 -12.847 1.00 0.00 H new ATOM 1067 N LYS A 66 88.108 27.819 -11.869 1.00 0.00 N ATOM 1068 CA LYS A 66 88.139 28.956 -10.892 1.00 0.00 C ATOM 1069 C LYS A 66 86.863 29.795 -11.011 1.00 0.00 C ATOM 1070 O LYS A 66 86.333 30.273 -10.024 1.00 0.00 O ATOM 1071 CB LYS A 66 89.365 29.791 -11.274 1.00 0.00 C ATOM 1072 CG LYS A 66 90.637 28.987 -10.998 1.00 0.00 C ATOM 1073 CD LYS A 66 91.861 29.824 -11.371 1.00 0.00 C ATOM 1074 CE LYS A 66 92.114 30.873 -10.285 1.00 0.00 C ATOM 1075 NZ LYS A 66 92.876 30.155 -9.225 1.00 0.00 N ATOM 0 H LYS A 66 88.794 27.878 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 66 88.195 28.604 -9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 66 89.317 30.065 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 66 89.378 30.719 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 66 90.682 28.707 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 66 90.627 28.062 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 66 92.734 29.181 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 66 91.702 30.312 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 66 92.682 31.717 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 66 91.177 31.272 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 92.538 30.457 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 92.734 29.130 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 93.888 30.376 -9.315 1.00 0.00 H new ATOM 1089 N ASN A 67 86.369 29.973 -12.213 1.00 0.00 N ATOM 1090 CA ASN A 67 85.138 30.798 -12.413 1.00 0.00 C ATOM 1091 C ASN A 67 84.241 30.162 -13.480 1.00 0.00 C ATOM 1092 O ASN A 67 84.550 29.114 -14.015 1.00 0.00 O ATOM 1093 CB ASN A 67 85.645 32.162 -12.885 1.00 0.00 C ATOM 1094 CG ASN A 67 86.419 32.844 -11.754 1.00 0.00 C ATOM 1095 OD1 ASN A 67 86.047 32.744 -10.601 1.00 0.00 O ATOM 1096 ND2 ASN A 67 87.487 33.538 -12.037 1.00 0.00 N ATOM 0 H ASN A 67 86.768 29.581 -13.066 1.00 0.00 H new ATOM 0 HA ASN A 67 84.543 30.877 -11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 67 86.288 32.040 -13.757 1.00 0.00 H new ATOM 0 HB3 ASN A 67 84.806 32.786 -13.193 1.00 0.00 H new ATOM 0 HD21 ASN A 67 88.010 33.997 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 67 87.799 33.622 -13.004 1.00 0.00 H new ATOM 1103 N GLY A 68 83.133 30.793 -13.787 1.00 0.00 N ATOM 1104 CA GLY A 68 82.211 30.245 -14.827 1.00 0.00 C ATOM 1105 C GLY A 68 81.397 29.093 -14.234 1.00 0.00 C ATOM 1106 O GLY A 68 80.879 29.192 -13.137 1.00 0.00 O ATOM 0 H GLY A 68 82.828 31.667 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.544 31.029 -15.185 1.00 0.00 H new ATOM 0 HA3 GLY A 68 82.783 29.895 -15.687 1.00 0.00 H new ATOM 1110 N THR A 69 81.282 28.003 -14.955 1.00 0.00 N ATOM 1111 CA THR A 69 80.489 26.838 -14.451 1.00 0.00 C ATOM 1112 C THR A 69 81.297 25.543 -14.590 1.00 0.00 C ATOM 1113 O THR A 69 82.308 25.504 -15.268 1.00 0.00 O ATOM 1114 CB THR A 69 79.223 26.798 -15.325 1.00 0.00 C ATOM 1115 OG1 THR A 69 78.400 25.719 -14.908 1.00 0.00 O ATOM 1116 CG2 THR A 69 79.594 26.617 -16.803 1.00 0.00 C ATOM 0 H THR A 69 81.705 27.870 -15.874 1.00 0.00 H new ATOM 0 HA THR A 69 80.240 26.936 -13.394 1.00 0.00 H new ATOM 0 HB THR A 69 78.687 27.740 -15.213 1.00 0.00 H new ATOM 0 HG1 THR A 69 77.592 25.691 -15.461 1.00 0.00 H new ATOM 0 HG21 THR A 69 78.686 26.591 -17.405 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.220 27.449 -17.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.140 25.682 -16.929 1.00 0.00 H new ATOM 1124 N LYS A 70 80.856 24.486 -13.951 1.00 0.00 N ATOM 1125 CA LYS A 70 81.601 23.191 -14.022 1.00 0.00 C ATOM 1126 C LYS A 70 81.149 22.386 -15.244 1.00 0.00 C ATOM 1127 O LYS A 70 79.974 22.330 -15.558 1.00 0.00 O ATOM 1128 CB LYS A 70 81.249 22.449 -12.730 1.00 0.00 C ATOM 1129 CG LYS A 70 81.836 23.200 -11.532 1.00 0.00 C ATOM 1130 CD LYS A 70 81.553 22.414 -10.248 1.00 0.00 C ATOM 1131 CE LYS A 70 82.045 23.215 -9.040 1.00 0.00 C ATOM 1132 NZ LYS A 70 81.176 22.778 -7.912 1.00 0.00 N ATOM 0 H LYS A 70 80.010 24.465 -13.382 1.00 0.00 H new ATOM 0 HA LYS A 70 82.676 23.343 -14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 80.167 22.369 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 70 81.642 21.433 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 70 82.910 23.330 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 70 81.400 24.197 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 80.485 22.218 -10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 70 82.053 21.446 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 70 83.095 23.011 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 81.957 24.287 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 81.451 23.283 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 80.183 22.991 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 81.286 21.754 -7.765 1.00 0.00 H new ATOM 1146 N SER A 71 82.076 21.766 -15.933 1.00 0.00 N ATOM 1147 CA SER A 71 81.720 20.971 -17.148 1.00 0.00 C ATOM 1148 C SER A 71 82.462 19.625 -17.135 1.00 0.00 C ATOM 1149 O SER A 71 83.370 19.439 -16.348 1.00 0.00 O ATOM 1150 CB SER A 71 82.179 21.828 -18.328 1.00 0.00 C ATOM 1151 OG SER A 71 81.120 22.692 -18.721 1.00 0.00 O ATOM 0 H SER A 71 83.070 21.777 -15.704 1.00 0.00 H new ATOM 0 HA SER A 71 80.655 20.745 -17.200 1.00 0.00 H new ATOM 0 HB2 SER A 71 83.056 22.412 -18.049 1.00 0.00 H new ATOM 0 HB3 SER A 71 82.473 21.191 -19.162 1.00 0.00 H new ATOM 0 HG SER A 71 81.412 23.244 -19.476 1.00 0.00 H new ATOM 1157 N PRO A 72 82.055 18.722 -18.010 1.00 0.00 N ATOM 1158 CA PRO A 72 82.719 17.391 -18.093 1.00 0.00 C ATOM 1159 C PRO A 72 84.179 17.548 -18.537 1.00 0.00 C ATOM 1160 O PRO A 72 84.508 18.428 -19.311 1.00 0.00 O ATOM 1161 CB PRO A 72 81.906 16.632 -19.145 1.00 0.00 C ATOM 1162 CG PRO A 72 81.165 17.680 -19.913 1.00 0.00 C ATOM 1163 CD PRO A 72 80.959 18.847 -18.986 1.00 0.00 C ATOM 0 HA PRO A 72 82.745 16.871 -17.135 1.00 0.00 H new ATOM 0 HB2 PRO A 72 82.556 16.052 -19.800 1.00 0.00 H new ATOM 0 HB3 PRO A 72 81.217 15.929 -18.676 1.00 0.00 H new ATOM 0 HG2 PRO A 72 81.730 17.983 -20.794 1.00 0.00 H new ATOM 0 HG3 PRO A 72 80.208 17.295 -20.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 81.007 19.795 -19.521 1.00 0.00 H new ATOM 0 HD3 PRO A 72 79.984 18.804 -18.500 1.00 0.00 H new ATOM 1171 N SER A 73 85.052 16.700 -18.048 1.00 0.00 N ATOM 1172 CA SER A 73 86.500 16.807 -18.405 1.00 0.00 C ATOM 1173 C SER A 73 86.951 15.562 -19.174 1.00 0.00 C ATOM 1174 O SER A 73 86.414 14.484 -18.993 1.00 0.00 O ATOM 1175 CB SER A 73 87.231 16.902 -17.066 1.00 0.00 C ATOM 1176 OG SER A 73 86.742 18.024 -16.343 1.00 0.00 O ATOM 0 H SER A 73 84.821 15.935 -17.414 1.00 0.00 H new ATOM 0 HA SER A 73 86.704 17.666 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 73 87.079 15.989 -16.490 1.00 0.00 H new ATOM 0 HB3 SER A 73 88.304 17.000 -17.230 1.00 0.00 H new ATOM 0 HG SER A 73 87.207 18.087 -15.483 1.00 0.00 H new ATOM 1182 N THR A 74 87.933 15.707 -20.030 1.00 0.00 N ATOM 1183 CA THR A 74 88.435 14.538 -20.815 1.00 0.00 C ATOM 1184 C THR A 74 89.627 13.895 -20.100 1.00 0.00 C ATOM 1185 O THR A 74 90.461 14.578 -19.535 1.00 0.00 O ATOM 1186 CB THR A 74 88.867 15.118 -22.164 1.00 0.00 C ATOM 1187 OG1 THR A 74 87.814 15.912 -22.693 1.00 0.00 O ATOM 1188 CG2 THR A 74 89.188 13.980 -23.134 1.00 0.00 C ATOM 0 H THR A 74 88.410 16.589 -20.219 1.00 0.00 H new ATOM 0 HA THR A 74 87.677 13.763 -20.931 1.00 0.00 H new ATOM 0 HB THR A 74 89.756 15.734 -22.027 1.00 0.00 H new ATOM 0 HG1 THR A 74 88.088 16.286 -23.556 1.00 0.00 H new ATOM 0 HG21 THR A 74 89.495 14.396 -24.094 1.00 0.00 H new ATOM 0 HG22 THR A 74 89.996 13.372 -22.727 1.00 0.00 H new ATOM 0 HG23 THR A 74 88.302 13.360 -23.274 1.00 0.00 H new ATOM 1196 N ASN A 75 89.709 12.586 -20.123 1.00 0.00 N ATOM 1197 CA ASN A 75 90.835 11.882 -19.432 1.00 0.00 C ATOM 1198 C ASN A 75 91.372 10.743 -20.310 1.00 0.00 C ATOM 1199 O ASN A 75 91.060 10.655 -21.483 1.00 0.00 O ATOM 1200 CB ASN A 75 90.238 11.344 -18.121 1.00 0.00 C ATOM 1201 CG ASN A 75 89.080 10.379 -18.409 1.00 0.00 C ATOM 1202 OD1 ASN A 75 88.134 10.729 -19.084 1.00 0.00 O ATOM 1203 ND2 ASN A 75 89.119 9.170 -17.918 1.00 0.00 N ATOM 0 H ASN A 75 89.042 11.973 -20.592 1.00 0.00 H new ATOM 0 HA ASN A 75 91.678 12.545 -19.239 1.00 0.00 H new ATOM 0 HB2 ASN A 75 91.010 10.832 -17.547 1.00 0.00 H new ATOM 0 HB3 ASN A 75 89.883 12.174 -17.510 1.00 0.00 H new ATOM 0 HD21 ASN A 75 88.355 8.520 -18.102 1.00 0.00 H new ATOM 0 HD22 ASN A 75 89.914 8.875 -17.351 1.00 0.00 H new ATOM 1210 N SER A 76 92.177 9.873 -19.744 1.00 0.00 N ATOM 1211 CA SER A 76 92.800 8.770 -20.551 1.00 0.00 C ATOM 1212 C SER A 76 91.722 7.857 -21.152 1.00 0.00 C ATOM 1213 O SER A 76 91.895 7.310 -22.226 1.00 0.00 O ATOM 1214 CB SER A 76 93.670 7.986 -19.566 1.00 0.00 C ATOM 1215 OG SER A 76 94.420 7.010 -20.276 1.00 0.00 O ATOM 0 H SER A 76 92.431 9.878 -18.756 1.00 0.00 H new ATOM 0 HA SER A 76 93.380 9.164 -21.386 1.00 0.00 H new ATOM 0 HB2 SER A 76 94.341 8.663 -19.037 1.00 0.00 H new ATOM 0 HB3 SER A 76 93.045 7.505 -18.814 1.00 0.00 H new ATOM 0 HG SER A 76 94.980 6.507 -19.648 1.00 0.00 H new ATOM 1221 N THR A 77 90.617 7.691 -20.465 1.00 0.00 N ATOM 1222 CA THR A 77 89.529 6.800 -20.982 1.00 0.00 C ATOM 1223 C THR A 77 88.185 7.539 -20.980 1.00 0.00 C ATOM 1224 O THR A 77 87.969 8.445 -20.198 1.00 0.00 O ATOM 1225 CB THR A 77 89.501 5.595 -20.025 1.00 0.00 C ATOM 1226 OG1 THR A 77 88.502 4.681 -20.453 1.00 0.00 O ATOM 1227 CG2 THR A 77 89.197 6.049 -18.591 1.00 0.00 C ATOM 0 H THR A 77 90.421 8.134 -19.568 1.00 0.00 H new ATOM 0 HA THR A 77 89.708 6.488 -22.011 1.00 0.00 H new ATOM 0 HB THR A 77 90.479 5.113 -20.037 1.00 0.00 H new ATOM 0 HG1 THR A 77 88.482 3.911 -19.847 1.00 0.00 H new ATOM 0 HG21 THR A 77 89.182 5.182 -17.930 1.00 0.00 H new ATOM 0 HG22 THR A 77 89.967 6.745 -18.259 1.00 0.00 H new ATOM 0 HG23 THR A 77 88.226 6.543 -18.564 1.00 0.00 H new ATOM 1235 N LYS A 78 87.286 7.153 -21.853 1.00 0.00 N ATOM 1236 CA LYS A 78 85.955 7.833 -21.926 1.00 0.00 C ATOM 1237 C LYS A 78 84.832 6.827 -21.657 1.00 0.00 C ATOM 1238 O LYS A 78 84.997 5.637 -21.852 1.00 0.00 O ATOM 1239 CB LYS A 78 85.860 8.370 -23.356 1.00 0.00 C ATOM 1240 CG LYS A 78 86.905 9.469 -23.563 1.00 0.00 C ATOM 1241 CD LYS A 78 86.736 10.078 -24.955 1.00 0.00 C ATOM 1242 CE LYS A 78 87.856 11.090 -25.210 1.00 0.00 C ATOM 1243 NZ LYS A 78 87.889 11.261 -26.690 1.00 0.00 N ATOM 0 H LYS A 78 87.418 6.393 -22.521 1.00 0.00 H new ATOM 0 HA LYS A 78 85.857 8.626 -21.185 1.00 0.00 H new ATOM 0 HB2 LYS A 78 86.021 7.562 -24.070 1.00 0.00 H new ATOM 0 HB3 LYS A 78 84.861 8.765 -23.541 1.00 0.00 H new ATOM 0 HG2 LYS A 78 86.793 10.240 -22.801 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.908 9.057 -23.454 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.761 9.294 -25.712 1.00 0.00 H new ATOM 0 HD3 LYS A 78 85.765 10.567 -25.034 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.655 12.036 -24.707 1.00 0.00 H new ATOM 0 HE3 LYS A 78 88.811 10.725 -24.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 88.633 11.942 -26.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 88.088 10.345 -27.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.968 11.616 -27.019 1.00 0.00 H new ATOM 1257 N LEU A 79 83.694 7.301 -21.210 1.00 0.00 N ATOM 1258 CA LEU A 79 82.545 6.382 -20.933 1.00 0.00 C ATOM 1259 C LEU A 79 81.583 6.332 -22.130 1.00 0.00 C ATOM 1260 O LEU A 79 80.427 5.976 -21.985 1.00 0.00 O ATOM 1261 CB LEU A 79 81.842 6.978 -19.710 1.00 0.00 C ATOM 1262 CG LEU A 79 82.770 6.911 -18.495 1.00 0.00 C ATOM 1263 CD1 LEU A 79 82.181 7.746 -17.356 1.00 0.00 C ATOM 1264 CD2 LEU A 79 82.910 5.457 -18.037 1.00 0.00 C ATOM 0 H LEU A 79 83.511 8.287 -21.025 1.00 0.00 H new ATOM 0 HA LEU A 79 82.880 5.359 -20.759 1.00 0.00 H new ATOM 0 HB2 LEU A 79 81.562 8.012 -19.908 1.00 0.00 H new ATOM 0 HB3 LEU A 79 80.921 6.432 -19.506 1.00 0.00 H new ATOM 0 HG LEU A 79 83.750 7.303 -18.767 1.00 0.00 H new ATOM 0 HD11 LEU A 79 82.842 7.698 -16.491 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.080 8.782 -17.679 1.00 0.00 H new ATOM 0 HD13 LEU A 79 81.201 7.353 -17.086 1.00 0.00 H new ATOM 0 HD21 LEU A 79 83.571 5.410 -17.172 1.00 0.00 H new ATOM 0 HD22 LEU A 79 81.930 5.065 -17.766 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.329 4.859 -18.846 1.00 0.00 H new ATOM 1276 N LYS A 80 82.047 6.684 -23.309 1.00 0.00 N ATOM 1277 CA LYS A 80 81.154 6.662 -24.516 1.00 0.00 C ATOM 1278 C LYS A 80 80.716 5.226 -24.830 1.00 0.00 C ATOM 1279 O LYS A 80 79.619 4.995 -25.304 1.00 0.00 O ATOM 1280 CB LYS A 80 82.001 7.225 -25.661 1.00 0.00 C ATOM 1281 CG LYS A 80 81.114 7.468 -26.884 1.00 0.00 C ATOM 1282 CD LYS A 80 81.972 7.967 -28.048 1.00 0.00 C ATOM 1283 CE LYS A 80 81.066 8.399 -29.203 1.00 0.00 C ATOM 1284 NZ LYS A 80 80.623 7.128 -29.841 1.00 0.00 N ATOM 0 H LYS A 80 83.005 6.985 -23.487 1.00 0.00 H new ATOM 0 HA LYS A 80 80.246 7.245 -24.360 1.00 0.00 H new ATOM 0 HB2 LYS A 80 82.475 8.157 -25.352 1.00 0.00 H new ATOM 0 HB3 LYS A 80 82.801 6.528 -25.912 1.00 0.00 H new ATOM 0 HG2 LYS A 80 80.603 6.547 -27.164 1.00 0.00 H new ATOM 0 HG3 LYS A 80 80.343 8.201 -26.647 1.00 0.00 H new ATOM 0 HD2 LYS A 80 82.591 8.804 -27.725 1.00 0.00 H new ATOM 0 HD3 LYS A 80 82.649 7.179 -28.378 1.00 0.00 H new ATOM 0 HE2 LYS A 80 80.215 8.977 -28.842 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.603 9.030 -29.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.651 7.231 -30.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 81.257 6.356 -29.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.652 6.909 -29.541 1.00 0.00 H new ATOM 1298 N SER A 81 81.570 4.264 -24.569 1.00 0.00 N ATOM 1299 CA SER A 81 81.225 2.834 -24.867 1.00 0.00 C ATOM 1300 C SER A 81 80.015 2.386 -24.037 1.00 0.00 C ATOM 1301 O SER A 81 79.224 1.570 -24.474 1.00 0.00 O ATOM 1302 CB SER A 81 82.464 2.025 -24.479 1.00 0.00 C ATOM 1303 OG SER A 81 83.596 2.541 -25.167 1.00 0.00 O ATOM 0 H SER A 81 82.494 4.407 -24.161 1.00 0.00 H new ATOM 0 HA SER A 81 80.960 2.695 -25.915 1.00 0.00 H new ATOM 0 HB2 SER A 81 82.624 2.077 -23.402 1.00 0.00 H new ATOM 0 HB3 SER A 81 82.320 0.974 -24.730 1.00 0.00 H new ATOM 0 HG SER A 81 84.392 2.026 -24.919 1.00 0.00 H new ATOM 1309 N ALA A 82 79.869 2.916 -22.845 1.00 0.00 N ATOM 1310 CA ALA A 82 78.716 2.516 -21.972 1.00 0.00 C ATOM 1311 C ALA A 82 77.393 2.980 -22.593 1.00 0.00 C ATOM 1312 O ALA A 82 76.390 2.294 -22.513 1.00 0.00 O ATOM 1313 CB ALA A 82 78.954 3.221 -20.634 1.00 0.00 C ATOM 0 H ALA A 82 80.498 3.608 -22.438 1.00 0.00 H new ATOM 0 HA ALA A 82 78.652 1.434 -21.853 1.00 0.00 H new ATOM 0 HB1 ALA A 82 78.147 2.974 -19.944 1.00 0.00 H new ATOM 0 HB2 ALA A 82 79.905 2.893 -20.214 1.00 0.00 H new ATOM 0 HB3 ALA A 82 78.980 4.299 -20.790 1.00 0.00 H new ATOM 1319 N GLU A 83 77.390 4.138 -23.208 1.00 0.00 N ATOM 1320 CA GLU A 83 76.144 4.648 -23.858 1.00 0.00 C ATOM 1321 C GLU A 83 76.487 5.342 -25.180 1.00 0.00 C ATOM 1322 O GLU A 83 77.365 6.185 -25.235 1.00 0.00 O ATOM 1323 CB GLU A 83 75.557 5.647 -22.860 1.00 0.00 C ATOM 1324 CG GLU A 83 74.164 6.080 -23.324 1.00 0.00 C ATOM 1325 CD GLU A 83 73.629 7.166 -22.389 1.00 0.00 C ATOM 1326 OE1 GLU A 83 73.414 6.866 -21.226 1.00 0.00 O ATOM 1327 OE2 GLU A 83 73.441 8.279 -22.851 1.00 0.00 O ATOM 0 H GLU A 83 78.200 4.753 -23.287 1.00 0.00 H new ATOM 0 HA GLU A 83 75.441 3.849 -24.092 1.00 0.00 H new ATOM 0 HB2 GLU A 83 75.497 5.195 -21.870 1.00 0.00 H new ATOM 0 HB3 GLU A 83 76.209 6.516 -22.774 1.00 0.00 H new ATOM 0 HG2 GLU A 83 74.210 6.456 -24.346 1.00 0.00 H new ATOM 0 HG3 GLU A 83 73.489 5.225 -23.329 1.00 0.00 H new ATOM 1334 N THR A 84 75.799 4.993 -26.240 1.00 0.00 N ATOM 1335 CA THR A 84 76.084 5.622 -27.568 1.00 0.00 C ATOM 1336 C THR A 84 74.867 5.496 -28.493 1.00 0.00 C ATOM 1337 O THR A 84 75.005 5.354 -29.694 1.00 0.00 O ATOM 1338 CB THR A 84 77.289 4.854 -28.136 1.00 0.00 C ATOM 1339 OG1 THR A 84 77.609 5.370 -29.421 1.00 0.00 O ATOM 1340 CG2 THR A 84 76.966 3.358 -28.258 1.00 0.00 C ATOM 0 H THR A 84 75.052 4.299 -26.243 1.00 0.00 H new ATOM 0 HA THR A 84 76.297 6.687 -27.477 1.00 0.00 H new ATOM 0 HB THR A 84 78.135 4.977 -27.460 1.00 0.00 H new ATOM 0 HG1 THR A 84 76.786 5.497 -29.937 1.00 0.00 H new ATOM 0 HG21 THR A 84 77.830 2.831 -28.662 1.00 0.00 H new ATOM 0 HG22 THR A 84 76.723 2.957 -27.274 1.00 0.00 H new ATOM 0 HG23 THR A 84 76.115 3.223 -28.925 1.00 0.00 H new ATOM 1348 N TYR A 85 73.680 5.548 -27.938 1.00 0.00 N ATOM 1349 CA TYR A 85 72.446 5.441 -28.776 1.00 0.00 C ATOM 1350 C TYR A 85 71.669 6.760 -28.743 1.00 0.00 C ATOM 1351 O TYR A 85 71.032 7.089 -27.759 1.00 0.00 O ATOM 1352 CB TYR A 85 71.628 4.321 -28.134 1.00 0.00 C ATOM 1353 CG TYR A 85 70.367 3.983 -28.895 1.00 0.00 C ATOM 1354 CD1 TYR A 85 70.414 3.071 -29.976 1.00 0.00 C ATOM 1355 CD2 TYR A 85 69.136 4.579 -28.524 1.00 0.00 C ATOM 1356 CE1 TYR A 85 69.231 2.755 -30.689 1.00 0.00 C ATOM 1357 CE2 TYR A 85 67.954 4.264 -29.237 1.00 0.00 C ATOM 1358 CZ TYR A 85 68.002 3.351 -30.319 1.00 0.00 C ATOM 1359 OH TYR A 85 66.849 3.044 -31.013 1.00 0.00 O ATOM 0 H TYR A 85 73.513 5.660 -26.938 1.00 0.00 H new ATOM 0 HA TYR A 85 72.673 5.232 -29.821 1.00 0.00 H new ATOM 0 HB2 TYR A 85 72.247 3.427 -28.058 1.00 0.00 H new ATOM 0 HB3 TYR A 85 71.363 4.612 -27.118 1.00 0.00 H new ATOM 0 HD1 TYR A 85 71.352 2.616 -30.258 1.00 0.00 H new ATOM 0 HD2 TYR A 85 69.099 5.273 -27.698 1.00 0.00 H new ATOM 0 HE1 TYR A 85 69.267 2.060 -31.515 1.00 0.00 H new ATOM 0 HE2 TYR A 85 67.016 4.720 -28.956 1.00 0.00 H new ATOM 0 HH TYR A 85 66.095 3.538 -30.629 1.00 0.00 H new ATOM 1369 N SER A 86 71.719 7.515 -29.815 1.00 0.00 N ATOM 1370 CA SER A 86 70.975 8.812 -29.868 1.00 0.00 C ATOM 1371 C SER A 86 70.836 9.282 -31.319 1.00 0.00 C ATOM 1372 O SER A 86 71.804 9.663 -31.951 1.00 0.00 O ATOM 1373 CB SER A 86 71.832 9.795 -29.069 1.00 0.00 C ATOM 1374 OG SER A 86 71.507 9.687 -27.690 1.00 0.00 O ATOM 0 H SER A 86 72.246 7.287 -30.658 1.00 0.00 H new ATOM 0 HA SER A 86 69.967 8.726 -29.462 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.890 9.582 -29.223 1.00 0.00 H new ATOM 0 HB3 SER A 86 71.658 10.813 -29.417 1.00 0.00 H new ATOM 0 HG SER A 86 70.989 8.869 -27.539 1.00 0.00 H new ATOM 1380 N SER A 87 69.636 9.255 -31.848 1.00 0.00 N ATOM 1381 CA SER A 87 69.418 9.709 -33.255 1.00 0.00 C ATOM 1382 C SER A 87 68.042 10.366 -33.393 1.00 0.00 C ATOM 1383 O SER A 87 67.121 10.055 -32.658 1.00 0.00 O ATOM 1384 CB SER A 87 69.494 8.438 -34.097 1.00 0.00 C ATOM 1385 OG SER A 87 68.385 7.603 -33.790 1.00 0.00 O ATOM 0 H SER A 87 68.797 8.937 -31.363 1.00 0.00 H new ATOM 0 HA SER A 87 70.154 10.449 -33.569 1.00 0.00 H new ATOM 0 HB2 SER A 87 69.491 8.690 -35.157 1.00 0.00 H new ATOM 0 HB3 SER A 87 70.427 7.911 -33.897 1.00 0.00 H new ATOM 0 HG SER A 87 68.430 6.787 -34.331 1.00 0.00 H new ATOM 1391 N LYS A 88 67.897 11.270 -34.331 1.00 0.00 N ATOM 1392 CA LYS A 88 66.579 11.943 -34.542 1.00 0.00 C ATOM 1393 C LYS A 88 65.844 11.302 -35.723 1.00 0.00 C ATOM 1394 O LYS A 88 64.763 10.764 -35.571 1.00 0.00 O ATOM 1395 CB LYS A 88 66.923 13.402 -34.847 1.00 0.00 C ATOM 1396 CG LYS A 88 65.642 14.239 -34.855 1.00 0.00 C ATOM 1397 CD LYS A 88 65.979 15.686 -35.215 1.00 0.00 C ATOM 1398 CE LYS A 88 64.734 16.559 -35.041 1.00 0.00 C ATOM 1399 NZ LYS A 88 64.690 16.881 -33.587 1.00 0.00 N ATOM 0 H LYS A 88 68.639 11.572 -34.962 1.00 0.00 H new ATOM 0 HA LYS A 88 65.924 11.854 -33.675 1.00 0.00 H new ATOM 0 HB2 LYS A 88 67.617 13.787 -34.099 1.00 0.00 H new ATOM 0 HB3 LYS A 88 67.423 13.474 -35.813 1.00 0.00 H new ATOM 0 HG2 LYS A 88 64.933 13.830 -35.574 1.00 0.00 H new ATOM 0 HG3 LYS A 88 65.163 14.199 -33.877 1.00 0.00 H new ATOM 0 HD2 LYS A 88 66.785 16.052 -34.578 1.00 0.00 H new ATOM 0 HD3 LYS A 88 66.335 15.743 -36.244 1.00 0.00 H new ATOM 0 HE2 LYS A 88 64.799 17.465 -35.644 1.00 0.00 H new ATOM 0 HE3 LYS A 88 63.834 16.031 -35.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 63.708 16.824 -33.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 65.277 16.201 -33.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 65.054 17.843 -33.433 1.00 0.00 H new ATOM 1413 N ASN A 89 66.426 11.360 -36.897 1.00 0.00 N ATOM 1414 CA ASN A 89 65.773 10.759 -38.100 1.00 0.00 C ATOM 1415 C ASN A 89 66.528 9.499 -38.535 1.00 0.00 C ATOM 1416 O ASN A 89 67.703 9.344 -38.256 1.00 0.00 O ATOM 1417 CB ASN A 89 65.859 11.837 -39.182 1.00 0.00 C ATOM 1418 CG ASN A 89 64.989 13.033 -38.789 1.00 0.00 C ATOM 1419 OD1 ASN A 89 63.928 12.867 -38.220 1.00 0.00 O ATOM 1420 ND2 ASN A 89 65.395 14.240 -39.072 1.00 0.00 N ATOM 0 H ASN A 89 67.329 11.800 -37.073 1.00 0.00 H new ATOM 0 HA ASN A 89 64.743 10.462 -37.905 1.00 0.00 H new ATOM 0 HB2 ASN A 89 66.894 12.155 -39.311 1.00 0.00 H new ATOM 0 HB3 ASN A 89 65.528 11.433 -40.139 1.00 0.00 H new ATOM 0 HD21 ASN A 89 64.822 15.044 -38.816 1.00 0.00 H new ATOM 0 HD22 ASN A 89 66.285 14.380 -39.550 1.00 0.00 H new ATOM 1427 N LYS A 90 65.858 8.600 -39.218 1.00 0.00 N ATOM 1428 CA LYS A 90 66.527 7.337 -39.676 1.00 0.00 C ATOM 1429 C LYS A 90 67.656 7.657 -40.664 1.00 0.00 C ATOM 1430 O LYS A 90 68.686 7.008 -40.670 1.00 0.00 O ATOM 1431 CB LYS A 90 65.431 6.520 -40.367 1.00 0.00 C ATOM 1432 CG LYS A 90 64.388 6.086 -39.336 1.00 0.00 C ATOM 1433 CD LYS A 90 63.277 5.297 -40.031 1.00 0.00 C ATOM 1434 CE LYS A 90 63.775 3.885 -40.352 1.00 0.00 C ATOM 1435 NZ LYS A 90 63.561 3.109 -39.100 1.00 0.00 N ATOM 0 H LYS A 90 64.876 8.686 -39.479 1.00 0.00 H new ATOM 0 HA LYS A 90 66.975 6.793 -38.844 1.00 0.00 H new ATOM 0 HB2 LYS A 90 64.959 7.114 -41.149 1.00 0.00 H new ATOM 0 HB3 LYS A 90 65.866 5.645 -40.850 1.00 0.00 H new ATOM 0 HG2 LYS A 90 64.856 5.473 -38.566 1.00 0.00 H new ATOM 0 HG3 LYS A 90 63.970 6.960 -38.837 1.00 0.00 H new ATOM 0 HD2 LYS A 90 62.397 5.246 -39.390 1.00 0.00 H new ATOM 0 HD3 LYS A 90 62.975 5.804 -40.947 1.00 0.00 H new ATOM 0 HE2 LYS A 90 63.222 3.451 -41.185 1.00 0.00 H new ATOM 0 HE3 LYS A 90 64.827 3.892 -40.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 64.308 2.392 -39.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 63.591 3.752 -38.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 62.634 2.639 -39.137 1.00 0.00 H new ATOM 1449 N TRP A 91 67.464 8.654 -41.494 1.00 0.00 N ATOM 1450 CA TRP A 91 68.526 9.042 -42.473 1.00 0.00 C ATOM 1451 C TRP A 91 69.084 10.425 -42.126 1.00 0.00 C ATOM 1452 O TRP A 91 68.339 11.360 -41.890 1.00 0.00 O ATOM 1453 CB TRP A 91 67.820 9.075 -43.829 1.00 0.00 C ATOM 1454 CG TRP A 91 68.747 9.317 -44.978 1.00 0.00 C ATOM 1455 CD1 TRP A 91 68.863 10.489 -45.648 1.00 0.00 C ATOM 1456 CD2 TRP A 91 69.684 8.393 -45.601 1.00 0.00 C ATOM 1457 NE1 TRP A 91 69.813 10.347 -46.646 1.00 0.00 N ATOM 1458 CE2 TRP A 91 70.352 9.076 -46.663 1.00 0.00 C ATOM 1459 CE3 TRP A 91 70.025 7.034 -45.356 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 71.325 8.435 -47.458 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 71.005 6.384 -46.153 1.00 0.00 C ATOM 1462 CH2 TRP A 91 71.654 7.084 -47.202 1.00 0.00 C ATOM 0 H TRP A 91 66.614 9.217 -41.535 1.00 0.00 H new ATOM 0 HA TRP A 91 69.367 8.349 -42.467 1.00 0.00 H new ATOM 0 HB2 TRP A 91 67.302 8.128 -43.983 1.00 0.00 H new ATOM 0 HB3 TRP A 91 67.060 9.856 -43.815 1.00 0.00 H new ATOM 0 HD1 TRP A 91 68.305 11.389 -45.438 1.00 0.00 H new ATOM 0 HE1 TRP A 91 70.082 11.091 -47.290 1.00 0.00 H new ATOM 0 HE3 TRP A 91 69.536 6.493 -44.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 71.815 8.972 -48.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 71.257 5.352 -45.959 1.00 0.00 H new ATOM 0 HH2 TRP A 91 72.399 6.586 -47.805 1.00 0.00 H new ATOM 1473 N SER A 92 70.387 10.558 -42.092 1.00 0.00 N ATOM 1474 CA SER A 92 71.007 11.875 -41.756 1.00 0.00 C ATOM 1475 C SER A 92 72.409 11.974 -42.366 1.00 0.00 C ATOM 1476 O SER A 92 73.300 12.578 -41.798 1.00 0.00 O ATOM 1477 CB SER A 92 71.083 11.898 -40.230 1.00 0.00 C ATOM 1478 OG SER A 92 71.481 13.191 -39.797 1.00 0.00 O ATOM 0 H SER A 92 71.050 9.807 -42.284 1.00 0.00 H new ATOM 0 HA SER A 92 70.432 12.714 -42.149 1.00 0.00 H new ATOM 0 HB2 SER A 92 70.114 11.642 -39.803 1.00 0.00 H new ATOM 0 HB3 SER A 92 71.794 11.150 -39.879 1.00 0.00 H new ATOM 0 HG SER A 92 72.261 13.483 -40.314 1.00 0.00 H new ATOM 1484 N MET A 93 72.606 11.384 -43.522 1.00 0.00 N ATOM 1485 CA MET A 93 73.948 11.429 -44.179 1.00 0.00 C ATOM 1486 C MET A 93 73.884 12.273 -45.455 1.00 0.00 C ATOM 1487 O MET A 93 72.861 12.343 -46.111 1.00 0.00 O ATOM 1488 CB MET A 93 74.274 9.973 -44.515 1.00 0.00 C ATOM 1489 CG MET A 93 74.495 9.186 -43.221 1.00 0.00 C ATOM 1490 SD MET A 93 75.065 7.515 -43.619 1.00 0.00 S ATOM 1491 CE MET A 93 73.592 6.979 -44.522 1.00 0.00 C ATOM 0 H MET A 93 71.891 10.872 -44.039 1.00 0.00 H new ATOM 0 HA MET A 93 74.706 11.879 -43.538 1.00 0.00 H new ATOM 0 HB2 MET A 93 73.459 9.530 -45.088 1.00 0.00 H new ATOM 0 HB3 MET A 93 75.166 9.924 -45.140 1.00 0.00 H new ATOM 0 HG2 MET A 93 75.230 9.693 -42.596 1.00 0.00 H new ATOM 0 HG3 MET A 93 73.568 9.139 -42.649 1.00 0.00 H new ATOM 0 HE1 MET A 93 73.385 5.934 -44.292 1.00 0.00 H new ATOM 0 HE2 MET A 93 72.740 7.591 -44.225 1.00 0.00 H new ATOM 0 HE3 MET A 93 73.762 7.088 -45.593 1.00 0.00 H new ATOM 1501 N ASP A 94 74.974 12.912 -45.808 1.00 0.00 N ATOM 1502 CA ASP A 94 74.992 13.760 -47.040 1.00 0.00 C ATOM 1503 C ASP A 94 75.433 12.926 -48.247 1.00 0.00 C ATOM 1504 O ASP A 94 76.307 12.086 -48.143 1.00 0.00 O ATOM 1505 CB ASP A 94 76.009 14.866 -46.750 1.00 0.00 C ATOM 1506 CG ASP A 94 75.942 15.926 -47.853 1.00 0.00 C ATOM 1507 OD1 ASP A 94 75.093 16.796 -47.760 1.00 0.00 O ATOM 1508 OD2 ASP A 94 76.742 15.847 -48.771 1.00 0.00 O ATOM 0 H ASP A 94 75.854 12.882 -45.293 1.00 0.00 H new ATOM 0 HA ASP A 94 74.008 14.166 -47.276 1.00 0.00 H new ATOM 0 HB2 ASP A 94 75.801 15.321 -45.781 1.00 0.00 H new ATOM 0 HB3 ASP A 94 77.013 14.446 -46.696 1.00 0.00 H new ATOM 1513 N CYS A 95 74.831 13.157 -49.390 1.00 0.00 N ATOM 1514 CA CYS A 95 75.201 12.380 -50.612 1.00 0.00 C ATOM 1515 C CYS A 95 76.165 13.190 -51.487 1.00 0.00 C ATOM 1516 O CYS A 95 76.109 13.135 -52.702 1.00 0.00 O ATOM 1517 CB CYS A 95 73.878 12.144 -51.343 1.00 0.00 C ATOM 1518 SG CYS A 95 74.071 10.778 -52.515 1.00 0.00 S ATOM 0 H CYS A 95 74.098 13.852 -49.528 1.00 0.00 H new ATOM 0 HA CYS A 95 75.707 11.445 -50.371 1.00 0.00 H new ATOM 0 HB2 CYS A 95 73.090 11.913 -50.626 1.00 0.00 H new ATOM 0 HB3 CYS A 95 73.575 13.049 -51.870 1.00 0.00 H new ATOM 0 HG CYS A 95 72.946 10.576 -53.135 1.00 0.00 H new ATOM 1524 N ASP A 96 77.054 13.943 -50.873 1.00 0.00 N ATOM 1525 CA ASP A 96 78.051 14.769 -51.642 1.00 0.00 C ATOM 1526 C ASP A 96 77.351 15.650 -52.687 1.00 0.00 C ATOM 1527 O ASP A 96 76.138 15.688 -52.767 1.00 0.00 O ATOM 1528 CB ASP A 96 78.982 13.760 -52.328 1.00 0.00 C ATOM 1529 CG ASP A 96 79.773 12.986 -51.271 1.00 0.00 C ATOM 1530 OD1 ASP A 96 80.224 13.608 -50.321 1.00 0.00 O ATOM 1531 OD2 ASP A 96 79.916 11.785 -51.428 1.00 0.00 O ATOM 0 H ASP A 96 77.133 14.022 -49.859 1.00 0.00 H new ATOM 0 HA ASP A 96 78.597 15.444 -50.983 1.00 0.00 H new ATOM 0 HB2 ASP A 96 78.399 13.070 -52.938 1.00 0.00 H new ATOM 0 HB3 ASP A 96 79.666 14.280 -52.999 1.00 0.00 H new ATOM 1536 N GLU A 97 78.116 16.359 -53.484 1.00 0.00 N ATOM 1537 CA GLU A 97 77.515 17.246 -54.526 1.00 0.00 C ATOM 1538 C GLU A 97 77.832 16.708 -55.924 1.00 0.00 C ATOM 1539 O GLU A 97 78.840 16.058 -56.132 1.00 0.00 O ATOM 1540 CB GLU A 97 78.174 18.609 -54.313 1.00 0.00 C ATOM 1541 CG GLU A 97 77.446 19.667 -55.146 1.00 0.00 C ATOM 1542 CD GLU A 97 76.072 19.958 -54.533 1.00 0.00 C ATOM 1543 OE1 GLU A 97 75.974 19.966 -53.315 1.00 0.00 O ATOM 1544 OE2 GLU A 97 75.140 20.168 -55.291 1.00 0.00 O ATOM 0 H GLU A 97 79.136 16.360 -53.456 1.00 0.00 H new ATOM 0 HA GLU A 97 76.429 17.302 -54.446 1.00 0.00 H new ATOM 0 HB2 GLU A 97 78.143 18.878 -53.257 1.00 0.00 H new ATOM 0 HB3 GLU A 97 79.225 18.565 -54.600 1.00 0.00 H new ATOM 0 HG2 GLU A 97 78.037 20.582 -55.186 1.00 0.00 H new ATOM 0 HG3 GLU A 97 77.330 19.318 -56.172 1.00 0.00 H new ATOM 1551 N GLU A 98 76.976 16.975 -56.882 1.00 0.00 N ATOM 1552 CA GLU A 98 77.207 16.465 -58.275 1.00 0.00 C ATOM 1553 C GLU A 98 78.471 17.096 -58.871 1.00 0.00 C ATOM 1554 O GLU A 98 79.205 16.458 -59.603 1.00 0.00 O ATOM 1555 CB GLU A 98 75.970 16.886 -59.075 1.00 0.00 C ATOM 1556 CG GLU A 98 76.006 16.235 -60.460 1.00 0.00 C ATOM 1557 CD GLU A 98 74.841 16.757 -61.305 1.00 0.00 C ATOM 1558 OE1 GLU A 98 74.591 17.951 -61.264 1.00 0.00 O ATOM 1559 OE2 GLU A 98 74.218 15.953 -61.978 1.00 0.00 O ATOM 0 H GLU A 98 76.126 17.525 -56.761 1.00 0.00 H new ATOM 0 HA GLU A 98 77.351 15.385 -58.293 1.00 0.00 H new ATOM 0 HB2 GLU A 98 75.064 16.589 -58.546 1.00 0.00 H new ATOM 0 HB3 GLU A 98 75.940 17.971 -59.173 1.00 0.00 H new ATOM 0 HG2 GLU A 98 76.953 16.457 -60.952 1.00 0.00 H new ATOM 0 HG3 GLU A 98 75.942 15.151 -60.365 1.00 0.00 H new ATOM 1566 N PHE A 99 78.725 18.344 -58.560 1.00 0.00 N ATOM 1567 CA PHE A 99 79.945 19.027 -59.091 1.00 0.00 C ATOM 1568 C PHE A 99 80.988 19.184 -57.980 1.00 0.00 C ATOM 1569 O PHE A 99 80.679 19.629 -56.889 1.00 0.00 O ATOM 1570 CB PHE A 99 79.459 20.395 -59.566 1.00 0.00 C ATOM 1571 CG PHE A 99 78.469 20.321 -60.704 1.00 0.00 C ATOM 1572 CD1 PHE A 99 78.930 20.219 -62.038 1.00 0.00 C ATOM 1573 CD2 PHE A 99 77.078 20.353 -60.436 1.00 0.00 C ATOM 1574 CE1 PHE A 99 78.002 20.149 -63.105 1.00 0.00 C ATOM 1575 CE2 PHE A 99 76.149 20.283 -61.503 1.00 0.00 C ATOM 1576 CZ PHE A 99 76.612 20.181 -62.837 1.00 0.00 C ATOM 0 H PHE A 99 78.137 18.921 -57.959 1.00 0.00 H new ATOM 0 HA PHE A 99 80.418 18.462 -59.894 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.999 20.919 -58.728 1.00 0.00 H new ATOM 0 HB3 PHE A 99 80.318 20.988 -59.880 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.990 20.195 -62.242 1.00 0.00 H new ATOM 0 HD2 PHE A 99 76.726 20.431 -59.418 1.00 0.00 H new ATOM 0 HE1 PHE A 99 78.354 20.071 -64.123 1.00 0.00 H new ATOM 0 HE2 PHE A 99 75.089 20.307 -61.299 1.00 0.00 H new ATOM 0 HZ PHE A 99 75.904 20.128 -63.651 1.00 0.00 H new ATOM 1586 N ASP A 100 82.218 18.820 -58.253 1.00 0.00 N ATOM 1587 CA ASP A 100 83.292 18.943 -57.220 1.00 0.00 C ATOM 1588 C ASP A 100 84.503 19.679 -57.800 1.00 0.00 C ATOM 1589 O ASP A 100 85.120 19.225 -58.747 1.00 0.00 O ATOM 1590 CB ASP A 100 83.664 17.502 -56.860 1.00 0.00 C ATOM 1591 CG ASP A 100 82.486 16.826 -56.154 1.00 0.00 C ATOM 1592 OD1 ASP A 100 82.217 15.676 -56.461 1.00 0.00 O ATOM 1593 OD2 ASP A 100 81.873 17.467 -55.315 1.00 0.00 O ATOM 0 H ASP A 100 82.524 18.442 -59.150 1.00 0.00 H new ATOM 0 HA ASP A 100 82.963 19.509 -56.349 1.00 0.00 H new ATOM 0 HB2 ASP A 100 83.927 16.948 -57.761 1.00 0.00 H new ATOM 0 HB3 ASP A 100 84.541 17.493 -56.213 1.00 0.00 H new ATOM 1598 N PHE A 101 84.843 20.813 -57.236 1.00 0.00 N ATOM 1599 CA PHE A 101 86.029 21.578 -57.727 1.00 0.00 C ATOM 1600 C PHE A 101 87.204 21.406 -56.760 1.00 0.00 C ATOM 1601 O PHE A 101 87.063 21.583 -55.564 1.00 0.00 O ATOM 1602 CB PHE A 101 85.572 23.037 -57.763 1.00 0.00 C ATOM 1603 CG PHE A 101 84.439 23.290 -58.729 1.00 0.00 C ATOM 1604 CD1 PHE A 101 83.099 23.266 -58.270 1.00 0.00 C ATOM 1605 CD2 PHE A 101 84.717 23.551 -60.093 1.00 0.00 C ATOM 1606 CE1 PHE A 101 82.037 23.503 -59.177 1.00 0.00 C ATOM 1607 CE2 PHE A 101 83.654 23.789 -60.998 1.00 0.00 C ATOM 1608 CZ PHE A 101 82.314 23.765 -60.541 1.00 0.00 C ATOM 0 H PHE A 101 84.348 21.242 -56.454 1.00 0.00 H new ATOM 0 HA PHE A 101 86.368 21.234 -58.704 1.00 0.00 H new ATOM 0 HB2 PHE A 101 85.260 23.336 -56.763 1.00 0.00 H new ATOM 0 HB3 PHE A 101 86.418 23.668 -58.035 1.00 0.00 H new ATOM 0 HD1 PHE A 101 82.887 23.067 -57.230 1.00 0.00 H new ATOM 0 HD2 PHE A 101 85.739 23.569 -60.443 1.00 0.00 H new ATOM 0 HE1 PHE A 101 81.015 23.484 -58.828 1.00 0.00 H new ATOM 0 HE2 PHE A 101 83.866 23.989 -62.038 1.00 0.00 H new ATOM 0 HZ PHE A 101 81.504 23.946 -61.232 1.00 0.00 H new ATOM 1618 N ALA A 102 88.361 21.062 -57.274 1.00 0.00 N ATOM 1619 CA ALA A 102 89.549 20.853 -56.392 1.00 0.00 C ATOM 1620 C ALA A 102 90.435 22.102 -56.390 1.00 0.00 C ATOM 1621 O ALA A 102 90.605 22.747 -55.370 1.00 0.00 O ATOM 1622 CB ALA A 102 90.294 19.666 -57.005 1.00 0.00 C ATOM 0 H ALA A 102 88.532 20.917 -58.269 1.00 0.00 H new ATOM 0 HA ALA A 102 89.266 20.665 -55.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 91.183 19.449 -56.412 1.00 0.00 H new ATOM 0 HB2 ALA A 102 89.642 18.793 -57.014 1.00 0.00 H new ATOM 0 HB3 ALA A 102 90.589 19.909 -58.026 1.00 0.00 H new ATOM 1628 N ALA A 103 90.999 22.446 -57.523 1.00 0.00 N ATOM 1629 CA ALA A 103 91.883 23.648 -57.595 1.00 0.00 C ATOM 1630 C ALA A 103 91.865 24.236 -59.009 1.00 0.00 C ATOM 1631 O ALA A 103 91.569 23.551 -59.970 1.00 0.00 O ATOM 1632 CB ALA A 103 93.278 23.133 -57.246 1.00 0.00 C ATOM 0 H ALA A 103 90.884 21.943 -58.403 1.00 0.00 H new ATOM 0 HA ALA A 103 91.559 24.440 -56.919 1.00 0.00 H new ATOM 0 HB1 ALA A 103 93.989 23.959 -57.277 1.00 0.00 H new ATOM 0 HB2 ALA A 103 93.267 22.701 -56.245 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.575 22.371 -57.967 1.00 0.00 H new ATOM 1638 N ASN A 104 92.180 25.505 -59.137 1.00 0.00 N ATOM 1639 CA ASN A 104 92.185 26.152 -60.490 1.00 0.00 C ATOM 1640 C ASN A 104 93.292 25.552 -61.363 1.00 0.00 C ATOM 1641 O ASN A 104 93.071 25.223 -62.514 1.00 0.00 O ATOM 1642 CB ASN A 104 92.456 27.638 -60.231 1.00 0.00 C ATOM 1643 CG ASN A 104 91.281 28.249 -59.464 1.00 0.00 C ATOM 1644 OD1 ASN A 104 91.468 28.872 -58.438 1.00 0.00 O ATOM 1645 ND2 ASN A 104 90.068 28.096 -59.922 1.00 0.00 N ATOM 0 H ASN A 104 92.434 26.120 -58.364 1.00 0.00 H new ATOM 0 HA ASN A 104 91.243 25.998 -61.017 1.00 0.00 H new ATOM 0 HB2 ASN A 104 93.377 27.756 -59.660 1.00 0.00 H new ATOM 0 HB3 ASN A 104 92.598 28.162 -61.176 1.00 0.00 H new ATOM 0 HD21 ASN A 104 89.278 28.499 -59.418 1.00 0.00 H new ATOM 0 HD22 ASN A 104 89.910 27.573 -60.783 1.00 0.00 H new ATOM 1652 N LEU A 105 94.479 25.410 -60.820 1.00 0.00 N ATOM 1653 CA LEU A 105 95.609 24.819 -61.604 1.00 0.00 C ATOM 1654 C LEU A 105 96.769 24.453 -60.669 1.00 0.00 C ATOM 1655 O LEU A 105 97.924 24.526 -61.046 1.00 0.00 O ATOM 1656 CB LEU A 105 96.038 25.917 -62.582 1.00 0.00 C ATOM 1657 CG LEU A 105 96.850 25.300 -63.723 1.00 0.00 C ATOM 1658 CD1 LEU A 105 95.918 24.514 -64.648 1.00 0.00 C ATOM 1659 CD2 LEU A 105 97.536 26.413 -64.518 1.00 0.00 C ATOM 0 H LEU A 105 94.713 25.679 -59.864 1.00 0.00 H new ATOM 0 HA LEU A 105 95.315 23.906 -62.121 1.00 0.00 H new ATOM 0 HB2 LEU A 105 95.160 26.426 -62.981 1.00 0.00 H new ATOM 0 HB3 LEU A 105 96.634 26.668 -62.063 1.00 0.00 H new ATOM 0 HG LEU A 105 97.603 24.628 -63.311 1.00 0.00 H new ATOM 0 HD11 LEU A 105 96.497 24.075 -65.460 1.00 0.00 H new ATOM 0 HD12 LEU A 105 95.428 23.722 -64.083 1.00 0.00 H new ATOM 0 HD13 LEU A 105 95.165 25.185 -65.061 1.00 0.00 H new ATOM 0 HD21 LEU A 105 98.115 25.975 -65.331 1.00 0.00 H new ATOM 0 HD22 LEU A 105 96.782 27.084 -64.929 1.00 0.00 H new ATOM 0 HD23 LEU A 105 98.200 26.973 -63.860 1.00 0.00 H new ATOM 1671 N GLU A 106 96.467 24.060 -59.454 1.00 0.00 N ATOM 1672 CA GLU A 106 97.550 23.698 -58.482 1.00 0.00 C ATOM 1673 C GLU A 106 98.280 22.433 -58.943 1.00 0.00 C ATOM 1674 O GLU A 106 99.470 22.282 -58.732 1.00 0.00 O ATOM 1675 CB GLU A 106 96.840 23.448 -57.148 1.00 0.00 C ATOM 1676 CG GLU A 106 96.281 24.770 -56.612 1.00 0.00 C ATOM 1677 CD GLU A 106 95.724 24.564 -55.199 1.00 0.00 C ATOM 1678 OE1 GLU A 106 95.854 25.475 -54.397 1.00 0.00 O ATOM 1679 OE2 GLU A 106 95.173 23.506 -54.943 1.00 0.00 O ATOM 0 H GLU A 106 95.517 23.974 -59.093 1.00 0.00 H new ATOM 0 HA GLU A 106 98.298 24.487 -58.399 1.00 0.00 H new ATOM 0 HB2 GLU A 106 96.033 22.727 -57.283 1.00 0.00 H new ATOM 0 HB3 GLU A 106 97.536 23.017 -56.429 1.00 0.00 H new ATOM 0 HG2 GLU A 106 97.065 25.527 -56.597 1.00 0.00 H new ATOM 0 HG3 GLU A 106 95.496 25.138 -57.272 1.00 0.00 H new ATOM 1686 N LYS A 107 97.572 21.525 -59.573 1.00 0.00 N ATOM 1687 CA LYS A 107 98.212 20.264 -60.057 1.00 0.00 C ATOM 1688 C LYS A 107 97.884 20.042 -61.536 1.00 0.00 C ATOM 1689 O LYS A 107 96.744 20.153 -61.948 1.00 0.00 O ATOM 1690 CB LYS A 107 97.598 19.156 -59.200 1.00 0.00 C ATOM 1691 CG LYS A 107 98.417 17.873 -59.361 1.00 0.00 C ATOM 1692 CD LYS A 107 99.687 17.969 -58.513 1.00 0.00 C ATOM 1693 CE LYS A 107 100.472 16.658 -58.615 1.00 0.00 C ATOM 1694 NZ LYS A 107 101.304 16.804 -59.842 1.00 0.00 N ATOM 0 H LYS A 107 96.575 21.605 -59.772 1.00 0.00 H new ATOM 0 HA LYS A 107 99.298 20.291 -59.972 1.00 0.00 H new ATOM 0 HB2 LYS A 107 97.580 19.459 -58.153 1.00 0.00 H new ATOM 0 HB3 LYS A 107 96.565 18.980 -59.499 1.00 0.00 H new ATOM 0 HG2 LYS A 107 97.826 17.010 -59.053 1.00 0.00 H new ATOM 0 HG3 LYS A 107 98.677 17.724 -60.409 1.00 0.00 H new ATOM 0 HD2 LYS A 107 100.303 18.801 -58.855 1.00 0.00 H new ATOM 0 HD3 LYS A 107 99.428 18.170 -57.473 1.00 0.00 H new ATOM 0 HE2 LYS A 107 101.093 16.500 -57.733 1.00 0.00 H new ATOM 0 HE3 LYS A 107 99.802 15.801 -58.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 102.014 16.045 -59.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 100.696 16.743 -60.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 101.784 17.726 -59.828 1.00 0.00 H new ATOM 1708 N PHE A 108 98.877 19.729 -62.334 1.00 0.00 N ATOM 1709 CA PHE A 108 98.636 19.511 -63.793 1.00 0.00 C ATOM 1710 C PHE A 108 99.703 18.577 -64.377 1.00 0.00 C ATOM 1711 O PHE A 108 100.121 18.732 -65.511 1.00 0.00 O ATOM 1712 CB PHE A 108 98.728 20.904 -64.426 1.00 0.00 C ATOM 1713 CG PHE A 108 100.058 21.591 -64.210 1.00 0.00 C ATOM 1714 CD1 PHE A 108 100.291 22.328 -63.023 1.00 0.00 C ATOM 1715 CD2 PHE A 108 101.072 21.496 -65.194 1.00 0.00 C ATOM 1716 CE1 PHE A 108 101.536 22.970 -62.821 1.00 0.00 C ATOM 1717 CE2 PHE A 108 102.319 22.138 -64.991 1.00 0.00 C ATOM 1718 CZ PHE A 108 102.550 22.876 -63.804 1.00 0.00 C ATOM 0 H PHE A 108 99.846 19.615 -62.036 1.00 0.00 H new ATOM 0 HA PHE A 108 97.671 19.042 -63.985 1.00 0.00 H new ATOM 0 HB2 PHE A 108 98.545 20.818 -65.497 1.00 0.00 H new ATOM 0 HB3 PHE A 108 97.936 21.531 -64.016 1.00 0.00 H new ATOM 0 HD1 PHE A 108 99.518 22.400 -62.272 1.00 0.00 H new ATOM 0 HD2 PHE A 108 100.895 20.934 -66.099 1.00 0.00 H new ATOM 0 HE1 PHE A 108 101.713 23.532 -61.916 1.00 0.00 H new ATOM 0 HE2 PHE A 108 103.093 22.065 -65.741 1.00 0.00 H new ATOM 0 HZ PHE A 108 103.500 23.367 -63.649 1.00 0.00 H new ATOM 1728 N ASP A 109 100.145 17.608 -63.609 1.00 0.00 N ATOM 1729 CA ASP A 109 101.181 16.648 -64.116 1.00 0.00 C ATOM 1730 C ASP A 109 100.613 15.810 -65.271 1.00 0.00 C ATOM 1731 O ASP A 109 101.323 15.448 -66.191 1.00 0.00 O ATOM 1732 CB ASP A 109 101.550 15.754 -62.919 1.00 0.00 C ATOM 1733 CG ASP A 109 100.310 15.016 -62.397 1.00 0.00 C ATOM 1734 OD1 ASP A 109 100.044 13.928 -62.881 1.00 0.00 O ATOM 1735 OD2 ASP A 109 99.650 15.554 -61.521 1.00 0.00 O ATOM 0 H ASP A 109 99.833 17.440 -62.652 1.00 0.00 H new ATOM 0 HA ASP A 109 102.057 17.168 -64.504 1.00 0.00 H new ATOM 0 HB2 ASP A 109 102.311 15.033 -63.217 1.00 0.00 H new ATOM 0 HB3 ASP A 109 101.981 16.361 -62.123 1.00 0.00 H new ATOM 1740 N LYS A 110 99.339 15.505 -65.222 1.00 0.00 N ATOM 1741 CA LYS A 110 98.711 14.694 -66.312 1.00 0.00 C ATOM 1742 C LYS A 110 98.395 15.585 -67.516 1.00 0.00 C ATOM 1743 O LYS A 110 97.733 16.599 -67.388 1.00 0.00 O ATOM 1744 CB LYS A 110 97.423 14.131 -65.707 1.00 0.00 C ATOM 1745 CG LYS A 110 96.826 13.086 -66.650 1.00 0.00 C ATOM 1746 CD LYS A 110 95.513 12.563 -66.065 1.00 0.00 C ATOM 1747 CE LYS A 110 95.009 11.388 -66.905 1.00 0.00 C ATOM 1748 NZ LYS A 110 94.256 12.013 -68.028 1.00 0.00 N ATOM 0 H LYS A 110 98.706 15.783 -64.473 1.00 0.00 H new ATOM 0 HA LYS A 110 99.370 13.901 -66.666 1.00 0.00 H new ATOM 0 HB2 LYS A 110 97.632 13.682 -64.736 1.00 0.00 H new ATOM 0 HB3 LYS A 110 96.707 14.935 -65.539 1.00 0.00 H new ATOM 0 HG2 LYS A 110 96.650 13.525 -67.632 1.00 0.00 H new ATOM 0 HG3 LYS A 110 97.528 12.264 -66.790 1.00 0.00 H new ATOM 0 HD2 LYS A 110 95.663 12.247 -65.033 1.00 0.00 H new ATOM 0 HD3 LYS A 110 94.768 13.358 -66.050 1.00 0.00 H new ATOM 0 HE2 LYS A 110 95.837 10.782 -67.274 1.00 0.00 H new ATOM 0 HE3 LYS A 110 94.369 10.729 -66.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 93.879 11.269 -68.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 93.470 12.578 -67.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 94.893 12.629 -68.573 1.00 0.00 H new ATOM 1762 N LYS A 111 98.863 15.211 -68.682 1.00 0.00 N ATOM 1763 CA LYS A 111 98.618 16.041 -69.902 1.00 0.00 C ATOM 1764 C LYS A 111 97.777 15.260 -70.916 1.00 0.00 C ATOM 1765 O LYS A 111 97.915 14.058 -71.051 1.00 0.00 O ATOM 1766 CB LYS A 111 100.008 16.332 -70.472 1.00 0.00 C ATOM 1767 CG LYS A 111 100.781 17.232 -69.505 1.00 0.00 C ATOM 1768 CD LYS A 111 102.127 17.612 -70.127 1.00 0.00 C ATOM 1769 CE LYS A 111 102.951 18.411 -69.114 1.00 0.00 C ATOM 1770 NZ LYS A 111 104.300 18.536 -69.732 1.00 0.00 N ATOM 0 H LYS A 111 99.406 14.363 -68.841 1.00 0.00 H new ATOM 0 HA LYS A 111 98.071 16.956 -69.673 1.00 0.00 H new ATOM 0 HB2 LYS A 111 100.550 15.400 -70.629 1.00 0.00 H new ATOM 0 HB3 LYS A 111 99.919 16.817 -71.444 1.00 0.00 H new ATOM 0 HG2 LYS A 111 100.203 18.130 -69.286 1.00 0.00 H new ATOM 0 HG3 LYS A 111 100.939 16.716 -68.558 1.00 0.00 H new ATOM 0 HD2 LYS A 111 102.668 16.714 -70.425 1.00 0.00 H new ATOM 0 HD3 LYS A 111 101.969 18.202 -71.029 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.509 19.390 -68.929 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.002 17.898 -68.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 104.924 19.073 -69.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.699 17.589 -69.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 104.220 19.034 -70.641 1.00 0.00 H new ATOM 1784 N GLN A 112 96.908 15.938 -71.627 1.00 0.00 N ATOM 1785 CA GLN A 112 96.066 15.252 -72.654 1.00 0.00 C ATOM 1786 C GLN A 112 96.449 15.737 -74.055 1.00 0.00 C ATOM 1787 O GLN A 112 96.755 16.898 -74.254 1.00 0.00 O ATOM 1788 CB GLN A 112 94.627 15.652 -72.322 1.00 0.00 C ATOM 1789 CG GLN A 112 94.222 15.047 -70.975 1.00 0.00 C ATOM 1790 CD GLN A 112 92.800 15.488 -70.617 1.00 0.00 C ATOM 1791 OE1 GLN A 112 92.399 16.593 -70.921 1.00 0.00 O ATOM 1792 NE2 GLN A 112 92.017 14.663 -69.977 1.00 0.00 N ATOM 0 H GLN A 112 96.746 16.941 -71.539 1.00 0.00 H new ATOM 0 HA GLN A 112 96.199 14.170 -72.643 1.00 0.00 H new ATOM 0 HB2 GLN A 112 94.540 16.738 -72.285 1.00 0.00 H new ATOM 0 HB3 GLN A 112 93.953 15.305 -73.105 1.00 0.00 H new ATOM 0 HG2 GLN A 112 94.274 13.959 -71.024 1.00 0.00 H new ATOM 0 HG3 GLN A 112 94.918 15.365 -70.199 1.00 0.00 H new ATOM 0 HE21 GLN A 112 92.354 13.735 -69.722 1.00 0.00 H new ATOM 0 HE22 GLN A 112 91.068 14.947 -69.732 1.00 0.00 H new ATOM 1801 N VAL A 113 96.434 14.853 -75.024 1.00 0.00 N ATOM 1802 CA VAL A 113 96.812 15.248 -76.420 1.00 0.00 C ATOM 1803 C VAL A 113 95.765 14.740 -77.418 1.00 0.00 C ATOM 1804 O VAL A 113 95.046 13.796 -77.147 1.00 0.00 O ATOM 1805 CB VAL A 113 98.180 14.594 -76.682 1.00 0.00 C ATOM 1806 CG1 VAL A 113 99.220 15.176 -75.722 1.00 0.00 C ATOM 1807 CG2 VAL A 113 98.097 13.074 -76.475 1.00 0.00 C ATOM 0 H VAL A 113 96.176 13.873 -74.909 1.00 0.00 H new ATOM 0 HA VAL A 113 96.861 16.331 -76.537 1.00 0.00 H new ATOM 0 HB VAL A 113 98.471 14.797 -77.712 1.00 0.00 H new ATOM 0 HG11 VAL A 113 100.188 14.711 -75.909 1.00 0.00 H new ATOM 0 HG12 VAL A 113 99.297 16.252 -75.878 1.00 0.00 H new ATOM 0 HG13 VAL A 113 98.916 14.980 -74.694 1.00 0.00 H new ATOM 0 HG21 VAL A 113 99.073 12.627 -76.664 1.00 0.00 H new ATOM 0 HG22 VAL A 113 97.794 12.862 -75.450 1.00 0.00 H new ATOM 0 HG23 VAL A 113 97.365 12.652 -77.164 1.00 0.00 H new ATOM 1817 N PHE A 114 95.680 15.364 -78.569 1.00 0.00 N ATOM 1818 CA PHE A 114 94.692 14.917 -79.604 1.00 0.00 C ATOM 1819 C PHE A 114 95.079 13.537 -80.145 1.00 0.00 C ATOM 1820 O PHE A 114 94.230 12.730 -80.473 1.00 0.00 O ATOM 1821 CB PHE A 114 94.763 15.967 -80.716 1.00 0.00 C ATOM 1822 CG PHE A 114 94.319 17.342 -80.275 1.00 0.00 C ATOM 1823 CD1 PHE A 114 95.277 18.286 -79.828 1.00 0.00 C ATOM 1824 CD2 PHE A 114 92.946 17.689 -80.312 1.00 0.00 C ATOM 1825 CE1 PHE A 114 94.860 19.575 -79.416 1.00 0.00 C ATOM 1826 CE2 PHE A 114 92.530 18.979 -79.899 1.00 0.00 C ATOM 1827 CZ PHE A 114 93.487 19.921 -79.451 1.00 0.00 C ATOM 0 H PHE A 114 96.253 16.164 -78.837 1.00 0.00 H new ATOM 0 HA PHE A 114 93.685 14.830 -79.195 1.00 0.00 H new ATOM 0 HB2 PHE A 114 95.787 16.025 -81.085 1.00 0.00 H new ATOM 0 HB3 PHE A 114 94.141 15.643 -81.551 1.00 0.00 H new ATOM 0 HD1 PHE A 114 96.324 18.022 -79.802 1.00 0.00 H new ATOM 0 HD2 PHE A 114 92.216 16.970 -80.655 1.00 0.00 H new ATOM 0 HE1 PHE A 114 95.589 20.295 -79.075 1.00 0.00 H new ATOM 0 HE2 PHE A 114 91.483 19.243 -79.926 1.00 0.00 H new ATOM 0 HZ PHE A 114 93.170 20.904 -79.136 1.00 0.00 H new ATOM 1837 N ALA A 115 96.364 13.264 -80.239 1.00 0.00 N ATOM 1838 CA ALA A 115 96.846 11.932 -80.752 1.00 0.00 C ATOM 1839 C ALA A 115 96.220 11.606 -82.115 1.00 0.00 C ATOM 1840 O ALA A 115 96.001 10.455 -82.445 1.00 0.00 O ATOM 1841 CB ALA A 115 96.412 10.904 -79.701 1.00 0.00 C ATOM 0 H ALA A 115 97.107 13.913 -79.980 1.00 0.00 H new ATOM 0 HA ALA A 115 97.926 11.931 -80.900 1.00 0.00 H new ATOM 0 HB1 ALA A 115 96.731 9.909 -80.011 1.00 0.00 H new ATOM 0 HB2 ALA A 115 96.869 11.149 -78.742 1.00 0.00 H new ATOM 0 HB3 ALA A 115 95.327 10.922 -79.601 1.00 0.00 H new ATOM 1847 N GLU A 116 95.933 12.615 -82.904 1.00 0.00 N ATOM 1848 CA GLU A 116 95.339 12.376 -84.255 1.00 0.00 C ATOM 1849 C GLU A 116 96.354 12.732 -85.346 1.00 0.00 C ATOM 1850 O GLU A 116 97.004 13.759 -85.287 1.00 0.00 O ATOM 1851 CB GLU A 116 94.127 13.308 -84.323 1.00 0.00 C ATOM 1852 CG GLU A 116 93.314 12.999 -85.582 1.00 0.00 C ATOM 1853 CD GLU A 116 92.166 14.004 -85.709 1.00 0.00 C ATOM 1854 OE1 GLU A 116 92.172 14.761 -86.664 1.00 0.00 O ATOM 1855 OE2 GLU A 116 91.303 13.998 -84.848 1.00 0.00 O ATOM 0 H GLU A 116 96.086 13.596 -82.668 1.00 0.00 H new ATOM 0 HA GLU A 116 95.060 11.333 -84.408 1.00 0.00 H new ATOM 0 HB2 GLU A 116 93.506 13.180 -83.436 1.00 0.00 H new ATOM 0 HB3 GLU A 116 94.455 14.347 -84.335 1.00 0.00 H new ATOM 0 HG2 GLU A 116 93.954 13.049 -86.463 1.00 0.00 H new ATOM 0 HG3 GLU A 116 92.919 11.984 -85.533 1.00 0.00 H new ATOM 1862 N PHE A 117 96.491 11.887 -86.340 1.00 0.00 N ATOM 1863 CA PHE A 117 97.463 12.162 -87.443 1.00 0.00 C ATOM 1864 C PHE A 117 96.745 12.136 -88.797 1.00 0.00 C ATOM 1865 O PHE A 117 96.947 13.001 -89.630 1.00 0.00 O ATOM 1866 CB PHE A 117 98.490 11.033 -87.356 1.00 0.00 C ATOM 1867 CG PHE A 117 99.754 11.308 -88.136 1.00 0.00 C ATOM 1868 CD1 PHE A 117 100.594 12.387 -87.765 1.00 0.00 C ATOM 1869 CD2 PHE A 117 100.101 10.487 -89.236 1.00 0.00 C ATOM 1870 CE1 PHE A 117 101.781 12.644 -88.495 1.00 0.00 C ATOM 1871 CE2 PHE A 117 101.288 10.745 -89.967 1.00 0.00 C ATOM 1872 CZ PHE A 117 102.127 11.824 -89.596 1.00 0.00 C ATOM 0 H PHE A 117 95.969 11.016 -86.434 1.00 0.00 H new ATOM 0 HA PHE A 117 97.929 13.143 -87.350 1.00 0.00 H new ATOM 0 HB2 PHE A 117 98.747 10.866 -86.310 1.00 0.00 H new ATOM 0 HB3 PHE A 117 98.038 10.112 -87.724 1.00 0.00 H new ATOM 0 HD1 PHE A 117 100.330 13.013 -86.926 1.00 0.00 H new ATOM 0 HD2 PHE A 117 99.461 9.664 -89.518 1.00 0.00 H new ATOM 0 HE1 PHE A 117 102.422 13.466 -88.211 1.00 0.00 H new ATOM 0 HE2 PHE A 117 101.552 10.119 -90.806 1.00 0.00 H new ATOM 0 HZ PHE A 117 103.031 12.021 -90.153 1.00 0.00 H new ATOM 1882 N ARG A 118 95.910 11.149 -89.017 1.00 0.00 N ATOM 1883 CA ARG A 118 95.157 11.064 -90.307 1.00 0.00 C ATOM 1884 C ARG A 118 93.654 10.953 -90.035 1.00 0.00 C ATOM 1885 O ARG A 118 93.228 10.228 -89.155 1.00 0.00 O ATOM 1886 CB ARG A 118 95.674 9.795 -90.988 1.00 0.00 C ATOM 1887 CG ARG A 118 97.137 9.988 -91.391 1.00 0.00 C ATOM 1888 CD ARG A 118 97.629 8.747 -92.143 1.00 0.00 C ATOM 1889 NE ARG A 118 99.109 8.934 -92.293 1.00 0.00 N ATOM 1890 CZ ARG A 118 99.904 7.922 -92.585 1.00 0.00 C ATOM 1891 NH1 ARG A 118 99.438 6.707 -92.767 1.00 0.00 N ATOM 1892 NH2 ARG A 118 101.187 8.134 -92.701 1.00 0.00 N ATOM 0 H ARG A 118 95.717 10.396 -88.356 1.00 0.00 H new ATOM 0 HA ARG A 118 95.304 11.947 -90.929 1.00 0.00 H new ATOM 0 HB2 ARG A 118 95.582 8.944 -90.313 1.00 0.00 H new ATOM 0 HB3 ARG A 118 95.071 9.571 -91.868 1.00 0.00 H new ATOM 0 HG2 ARG A 118 97.238 10.872 -92.021 1.00 0.00 H new ATOM 0 HG3 ARG A 118 97.750 10.156 -90.505 1.00 0.00 H new ATOM 0 HD2 ARG A 118 97.402 7.836 -91.589 1.00 0.00 H new ATOM 0 HD3 ARG A 118 97.144 8.658 -93.115 1.00 0.00 H new ATOM 0 HE ARG A 118 99.510 9.863 -92.167 1.00 0.00 H new ATOM 0 HH11 ARG A 118 98.438 6.527 -92.684 1.00 0.00 H new ATOM 0 HH12 ARG A 118 100.077 5.944 -92.992 1.00 0.00 H new ATOM 0 HH21 ARG A 118 101.563 9.073 -92.566 1.00 0.00 H new ATOM 0 HH22 ARG A 118 101.813 7.361 -92.926 1.00 0.00 H new ATOM 1906 N GLU A 119 92.852 11.670 -90.785 1.00 0.00 N ATOM 1907 CA GLU A 119 91.370 11.616 -90.577 1.00 0.00 C ATOM 1908 C GLU A 119 90.760 10.483 -91.407 1.00 0.00 C ATOM 1909 O GLU A 119 89.976 9.695 -90.911 1.00 0.00 O ATOM 1910 CB GLU A 119 90.847 12.974 -91.056 1.00 0.00 C ATOM 1911 CG GLU A 119 91.377 14.080 -90.142 1.00 0.00 C ATOM 1912 CD GLU A 119 90.808 15.429 -90.587 1.00 0.00 C ATOM 1913 OE1 GLU A 119 91.271 15.942 -91.593 1.00 0.00 O ATOM 1914 OE2 GLU A 119 89.918 15.925 -89.915 1.00 0.00 O ATOM 0 H GLU A 119 93.160 12.291 -91.533 1.00 0.00 H new ATOM 0 HA GLU A 119 91.108 11.425 -89.536 1.00 0.00 H new ATOM 0 HB2 GLU A 119 91.163 13.155 -92.083 1.00 0.00 H new ATOM 0 HB3 GLU A 119 89.757 12.977 -91.053 1.00 0.00 H new ATOM 0 HG2 GLU A 119 91.095 13.878 -89.109 1.00 0.00 H new ATOM 0 HG3 GLU A 119 92.466 14.104 -90.177 1.00 0.00 H new ATOM 1921 N LYS A 120 91.119 10.396 -92.672 1.00 0.00 N ATOM 1922 CA LYS A 120 90.581 9.312 -93.566 1.00 0.00 C ATOM 1923 C LYS A 120 89.043 9.286 -93.531 1.00 0.00 C ATOM 1924 O LYS A 120 88.432 8.233 -93.474 1.00 0.00 O ATOM 1925 CB LYS A 120 91.163 8.001 -93.019 1.00 0.00 C ATOM 1926 CG LYS A 120 91.004 6.893 -94.063 1.00 0.00 C ATOM 1927 CD LYS A 120 91.686 5.617 -93.564 1.00 0.00 C ATOM 1928 CE LYS A 120 90.860 5.004 -92.431 1.00 0.00 C ATOM 1929 NZ LYS A 120 91.260 3.569 -92.397 1.00 0.00 N ATOM 0 H LYS A 120 91.769 11.037 -93.127 1.00 0.00 H new ATOM 0 HA LYS A 120 90.862 9.473 -94.607 1.00 0.00 H new ATOM 0 HB2 LYS A 120 92.216 8.134 -92.773 1.00 0.00 H new ATOM 0 HB3 LYS A 120 90.653 7.722 -92.097 1.00 0.00 H new ATOM 0 HG2 LYS A 120 89.947 6.704 -94.249 1.00 0.00 H new ATOM 0 HG3 LYS A 120 91.443 7.206 -95.010 1.00 0.00 H new ATOM 0 HD2 LYS A 120 91.787 4.903 -94.381 1.00 0.00 H new ATOM 0 HD3 LYS A 120 92.692 5.844 -93.212 1.00 0.00 H new ATOM 0 HE2 LYS A 120 91.068 5.495 -91.480 1.00 0.00 H new ATOM 0 HE3 LYS A 120 89.792 5.112 -92.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 90.735 3.080 -91.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 91.044 3.127 -93.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 92.281 3.497 -92.210 1.00 0.00 H new ATOM 1943 N ASP A 121 88.421 10.440 -93.564 1.00 0.00 N ATOM 1944 CA ASP A 121 86.926 10.498 -93.533 1.00 0.00 C ATOM 1945 C ASP A 121 86.384 11.023 -94.869 1.00 0.00 C ATOM 1946 O ASP A 121 86.982 11.940 -95.408 1.00 0.00 O ATOM 1947 CB ASP A 121 86.578 11.454 -92.378 1.00 0.00 C ATOM 1948 CG ASP A 121 87.142 12.857 -92.646 1.00 0.00 C ATOM 1949 OD1 ASP A 121 86.361 13.794 -92.661 1.00 0.00 O ATOM 1950 OD2 ASP A 121 88.344 12.969 -92.827 1.00 0.00 O ATOM 1951 OXT ASP A 121 85.383 10.497 -95.327 1.00 0.00 O ATOM 0 H ASP A 121 88.886 11.347 -93.611 1.00 0.00 H new ATOM 0 HA ASP A 121 86.480 9.515 -93.383 1.00 0.00 H new ATOM 0 HB2 ASP A 121 85.496 11.508 -92.258 1.00 0.00 H new ATOM 0 HB3 ASP A 121 86.983 11.066 -91.444 1.00 0.00 H new TER 1956 ASP A 121