USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 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 60 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.144) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.14) USER MOD Set 2.1: A 16 ASN : amide:sc= -1.3 K(o=-0.98,f=-4.7!) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.627 K(o=-0.98,f=-4.3!) USER MOD Set 2.3: A 19 SER OG : rot -132:sc= 0.955 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.423 (180deg=-1.99!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 150:sc= -3.11 USER MOD Single : A 9 SER OG : rot -99:sc= 1.27 USER MOD Single : A -1 MET CE :methyl -152:sc= -0.353 (180deg=-1.77!) USER MOD Single : A -3 GLY N :NH3+ -112:sc= 0.109 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.499 K(o=-0.5,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.102) USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.738 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.997 K(o=-1,f=-6.6!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 SER OG : rot 71:sc= 0.121 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 17:sc= 0.866 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.18) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0499) USER MOD Single : A 67 ASN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0052 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.126 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= -0.56 K(o=-0.56,f=-4.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000387 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0138) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00798) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00933 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.139) USER MOD Single : A 89 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0916) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -156:sc= -0.207 (180deg=-1.35) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0.506 K(o=0.51,f=-4.9!) USER MOD Single : A 107 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.136) 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= -0.518 X(o=-0.52,f=-0.89) USER MOD Single : A 120 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.0587) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 111.448 19.414 10.530 1.00 0.00 N ATOM 2 CA GLY A -3 111.160 18.926 9.151 1.00 0.00 C ATOM 3 C GLY A -3 112.094 17.760 8.816 1.00 0.00 C ATOM 4 O GLY A -3 113.024 17.472 9.546 1.00 0.00 O ATOM 0 H1 GLY A -3 110.642 19.197 11.150 1.00 0.00 H new ATOM 0 H2 GLY A -3 112.301 18.944 10.894 1.00 0.00 H new ATOM 0 H3 GLY A -3 111.602 20.442 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A -3 110.121 18.606 9.077 1.00 0.00 H new ATOM 0 HA3 GLY A -3 111.297 19.734 8.432 1.00 0.00 H new ATOM 10 N ALA A -2 111.848 17.089 7.716 1.00 0.00 N ATOM 11 CA ALA A -2 112.715 15.938 7.321 1.00 0.00 C ATOM 12 C ALA A -2 113.657 16.351 6.186 1.00 0.00 C ATOM 13 O ALA A -2 113.302 17.143 5.333 1.00 0.00 O ATOM 14 CB ALA A -2 111.745 14.857 6.845 1.00 0.00 C ATOM 0 H ALA A -2 111.081 17.291 7.074 1.00 0.00 H new ATOM 0 HA ALA A -2 113.341 15.591 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A -2 112.306 13.975 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A -2 111.069 14.591 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A -2 111.167 15.233 6.001 1.00 0.00 H new ATOM 20 N MET A -1 114.855 15.817 6.175 1.00 0.00 N ATOM 21 CA MET A -1 115.835 16.169 5.100 1.00 0.00 C ATOM 22 C MET A -1 116.211 14.920 4.298 1.00 0.00 C ATOM 23 O MET A -1 116.211 13.819 4.817 1.00 0.00 O ATOM 24 CB MET A -1 117.057 16.718 5.841 1.00 0.00 C ATOM 25 CG MET A -1 116.699 18.048 6.514 1.00 0.00 C ATOM 26 SD MET A -1 116.500 19.336 5.257 1.00 0.00 S ATOM 27 CE MET A -1 118.220 19.372 4.694 1.00 0.00 C ATOM 0 H MET A -1 115.197 15.150 6.867 1.00 0.00 H new ATOM 0 HA MET A -1 115.429 16.891 4.392 1.00 0.00 H new ATOM 0 HB2 MET A -1 117.394 16.000 6.589 1.00 0.00 H new ATOM 0 HB3 MET A -1 117.882 16.863 5.144 1.00 0.00 H new ATOM 0 HG2 MET A -1 115.778 17.940 7.087 1.00 0.00 H new ATOM 0 HG3 MET A -1 117.481 18.332 7.218 1.00 0.00 H new ATOM 0 HE1 MET A -1 118.457 20.365 4.312 1.00 0.00 H new ATOM 0 HE2 MET A -1 118.881 19.137 5.528 1.00 0.00 H new ATOM 0 HE3 MET A -1 118.359 18.636 3.903 1.00 0.00 H new ATOM 37 N GLY A 0 116.529 15.088 3.037 1.00 0.00 N ATOM 38 CA GLY A 0 116.908 13.919 2.188 1.00 0.00 C ATOM 39 C GLY A 0 115.645 13.241 1.656 1.00 0.00 C ATOM 40 O GLY A 0 114.566 13.803 1.699 1.00 0.00 O ATOM 0 H GLY A 0 116.542 15.989 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.534 14.247 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 0 117.496 13.209 2.770 1.00 0.00 H new ATOM 44 N MET A 1 115.774 12.036 1.153 1.00 0.00 N ATOM 45 CA MET A 1 114.585 11.305 0.616 1.00 0.00 C ATOM 46 C MET A 1 114.327 10.040 1.442 1.00 0.00 C ATOM 47 O MET A 1 115.235 9.475 2.023 1.00 0.00 O ATOM 48 CB MET A 1 114.960 10.939 -0.821 1.00 0.00 C ATOM 49 CG MET A 1 115.066 12.210 -1.668 1.00 0.00 C ATOM 50 SD MET A 1 113.413 12.898 -1.946 1.00 0.00 S ATOM 51 CE MET A 1 112.765 11.538 -2.948 1.00 0.00 C ATOM 0 H MET A 1 116.656 11.527 1.092 1.00 0.00 H new ATOM 0 HA MET A 1 113.676 11.905 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.909 10.402 -0.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.210 10.271 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.696 12.943 -1.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.542 11.984 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 1 112.106 11.936 -3.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 113.592 11.005 -3.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.205 10.852 -2.312 1.00 0.00 H new ATOM 61 N SER A 2 113.094 9.597 1.494 1.00 0.00 N ATOM 62 CA SER A 2 112.759 8.375 2.288 1.00 0.00 C ATOM 63 C SER A 2 112.122 7.313 1.386 1.00 0.00 C ATOM 64 O SER A 2 111.432 7.630 0.434 1.00 0.00 O ATOM 65 CB SER A 2 111.760 8.850 3.343 1.00 0.00 C ATOM 66 OG SER A 2 112.360 9.869 4.131 1.00 0.00 O ATOM 0 H SER A 2 112.303 10.031 1.019 1.00 0.00 H new ATOM 0 HA SER A 2 113.642 7.921 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 110.858 9.229 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.457 8.016 3.976 1.00 0.00 H new ATOM 0 HG SER A 2 111.722 10.178 4.808 1.00 0.00 H new ATOM 72 N VAL A 3 112.352 6.057 1.682 1.00 0.00 N ATOM 73 CA VAL A 3 111.755 4.956 0.853 1.00 0.00 C ATOM 74 C VAL A 3 110.230 4.929 1.038 1.00 0.00 C ATOM 75 O VAL A 3 109.497 4.579 0.131 1.00 0.00 O ATOM 76 CB VAL A 3 112.392 3.654 1.371 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.854 2.457 0.580 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.914 3.720 1.199 1.00 0.00 C ATOM 0 H VAL A 3 112.928 5.743 2.463 1.00 0.00 H new ATOM 0 HA VAL A 3 111.946 5.094 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 3 112.143 3.536 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 3 112.310 1.540 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.772 2.399 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 3 112.097 2.580 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 3 114.362 2.797 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.156 3.846 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.308 4.565 1.764 1.00 0.00 H new ATOM 88 N ALA A 4 109.753 5.296 2.206 1.00 0.00 N ATOM 89 CA ALA A 4 108.274 5.271 2.467 1.00 0.00 C ATOM 90 C ALA A 4 107.538 6.225 1.516 1.00 0.00 C ATOM 91 O ALA A 4 106.396 5.997 1.164 1.00 0.00 O ATOM 92 CB ALA A 4 108.109 5.735 3.917 1.00 0.00 C ATOM 0 H ALA A 4 110.323 5.612 2.990 1.00 0.00 H new ATOM 0 HA ALA A 4 107.855 4.278 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.051 5.742 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.642 5.054 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 4 108.516 6.740 4.026 1.00 0.00 H new ATOM 98 N ASP A 5 108.188 7.289 1.103 1.00 0.00 N ATOM 99 CA ASP A 5 107.537 8.255 0.156 1.00 0.00 C ATOM 100 C ASP A 5 107.248 7.573 -1.187 1.00 0.00 C ATOM 101 O ASP A 5 106.212 7.789 -1.789 1.00 0.00 O ATOM 102 CB ASP A 5 108.550 9.390 -0.029 1.00 0.00 C ATOM 103 CG ASP A 5 108.653 10.204 1.263 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.676 9.600 2.324 1.00 0.00 O ATOM 105 OD2 ASP A 5 108.707 11.420 1.171 1.00 0.00 O ATOM 0 H ASP A 5 109.140 7.531 1.380 1.00 0.00 H new ATOM 0 HA ASP A 5 106.585 8.620 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.526 8.981 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.243 10.034 -0.853 1.00 0.00 H new ATOM 110 N PHE A 6 108.159 6.753 -1.654 1.00 0.00 N ATOM 111 CA PHE A 6 107.927 6.015 -2.936 1.00 0.00 C ATOM 112 C PHE A 6 106.906 4.892 -2.722 1.00 0.00 C ATOM 113 O PHE A 6 106.132 4.572 -3.606 1.00 0.00 O ATOM 114 CB PHE A 6 109.287 5.434 -3.328 1.00 0.00 C ATOM 115 CG PHE A 6 110.294 6.484 -3.737 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.141 7.070 -2.764 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.390 6.883 -5.092 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.084 8.053 -3.147 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.334 7.867 -5.475 1.00 0.00 C ATOM 120 CZ PHE A 6 112.181 8.453 -4.502 1.00 0.00 C ATOM 0 H PHE A 6 109.054 6.563 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 6 107.530 6.667 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.687 4.866 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 6 109.150 4.732 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.067 6.766 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.744 6.437 -5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.730 8.499 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.408 8.171 -6.509 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.900 9.204 -4.794 1.00 0.00 H new ATOM 130 N TYR A 7 106.902 4.297 -1.553 1.00 0.00 N ATOM 131 CA TYR A 7 105.921 3.199 -1.264 1.00 0.00 C ATOM 132 C TYR A 7 104.509 3.782 -1.153 1.00 0.00 C ATOM 133 O TYR A 7 104.324 4.884 -0.671 1.00 0.00 O ATOM 134 CB TYR A 7 106.366 2.584 0.073 1.00 0.00 C ATOM 135 CG TYR A 7 106.409 1.072 0.062 1.00 0.00 C ATOM 136 CD1 TYR A 7 107.057 0.388 -0.997 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.809 0.340 1.116 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.105 -1.027 -0.999 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.857 -1.075 1.110 1.00 0.00 C ATOM 140 CZ TYR A 7 106.505 -1.757 0.054 1.00 0.00 C ATOM 141 OH TYR A 7 106.557 -3.133 0.054 1.00 0.00 O ATOM 0 H TYR A 7 107.535 4.523 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 7 105.899 2.448 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 7 107.355 2.965 0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 7 105.686 2.914 0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.514 0.946 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.315 0.861 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 7 107.600 -1.549 -1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.398 -1.634 1.912 1.00 0.00 H new ATOM 0 HH TYR A 7 106.558 -3.460 0.978 1.00 0.00 H new ATOM 151 N GLY A 8 103.517 3.050 -1.597 1.00 0.00 N ATOM 152 CA GLY A 8 102.122 3.591 -1.588 1.00 0.00 C ATOM 153 C GLY A 8 101.903 4.526 -2.788 1.00 0.00 C ATOM 154 O GLY A 8 100.870 5.161 -2.895 1.00 0.00 O ATOM 0 H GLY A 8 103.612 2.103 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 8 101.406 2.770 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.941 4.132 -0.659 1.00 0.00 H new ATOM 158 N SER A 9 102.860 4.622 -3.690 1.00 0.00 N ATOM 159 CA SER A 9 102.707 5.550 -4.852 1.00 0.00 C ATOM 160 C SER A 9 101.976 4.844 -5.999 1.00 0.00 C ATOM 161 O SER A 9 101.984 3.630 -6.093 1.00 0.00 O ATOM 162 CB SER A 9 104.133 5.914 -5.268 1.00 0.00 C ATOM 163 OG SER A 9 104.775 4.764 -5.804 1.00 0.00 O ATOM 0 H SER A 9 103.735 4.098 -3.667 1.00 0.00 H new ATOM 0 HA SER A 9 102.122 6.434 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.115 6.713 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.690 6.288 -4.409 1.00 0.00 H new ATOM 0 HG SER A 9 105.346 4.359 -5.118 1.00 0.00 H new ATOM 169 N ASN A 10 101.345 5.598 -6.866 1.00 0.00 N ATOM 170 CA ASN A 10 100.627 4.982 -8.023 1.00 0.00 C ATOM 171 C ASN A 10 101.513 5.014 -9.270 1.00 0.00 C ATOM 172 O ASN A 10 101.842 6.068 -9.785 1.00 0.00 O ATOM 173 CB ASN A 10 99.383 5.848 -8.228 1.00 0.00 C ATOM 174 CG ASN A 10 98.371 5.100 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.743 4.366 -9.993 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.095 5.255 -8.871 1.00 0.00 N ATOM 0 H ASN A 10 101.297 6.616 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 10 100.370 3.939 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.937 6.094 -7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.658 6.790 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.411 4.761 -9.444 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.782 5.870 -8.120 1.00 0.00 H new ATOM 183 N VAL A 11 101.898 3.860 -9.752 1.00 0.00 N ATOM 184 CA VAL A 11 102.733 3.791 -10.989 1.00 0.00 C ATOM 185 C VAL A 11 102.089 2.826 -11.987 1.00 0.00 C ATOM 186 O VAL A 11 101.242 2.031 -11.622 1.00 0.00 O ATOM 187 CB VAL A 11 104.112 3.274 -10.537 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.753 4.289 -9.587 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.970 1.927 -9.812 1.00 0.00 C ATOM 0 H VAL A 11 101.668 2.956 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 11 102.822 4.759 -11.483 1.00 0.00 H new ATOM 0 HB VAL A 11 104.739 3.140 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.729 3.923 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.874 5.243 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.113 4.426 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.954 1.576 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.334 2.051 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.522 1.197 -10.486 1.00 0.00 H new ATOM 199 N GLU A 12 102.480 2.886 -13.237 1.00 0.00 N ATOM 200 CA GLU A 12 102.003 1.868 -14.217 1.00 0.00 C ATOM 201 C GLU A 12 103.204 1.101 -14.772 1.00 0.00 C ATOM 202 O GLU A 12 104.276 1.647 -14.931 1.00 0.00 O ATOM 203 CB GLU A 12 101.304 2.674 -15.320 1.00 0.00 C ATOM 204 CG GLU A 12 100.733 1.724 -16.381 1.00 0.00 C ATOM 205 CD GLU A 12 99.870 2.513 -17.370 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.276 3.601 -17.746 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.818 2.017 -17.733 1.00 0.00 O ATOM 0 H GLU A 12 103.107 3.595 -13.618 1.00 0.00 H new ATOM 0 HA GLU A 12 101.328 1.134 -13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.503 3.276 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.010 3.365 -15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.545 1.224 -16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.137 0.946 -15.904 1.00 0.00 H new ATOM 214 N VAL A 13 103.029 -0.163 -15.060 1.00 0.00 N ATOM 215 CA VAL A 13 104.148 -0.966 -15.636 1.00 0.00 C ATOM 216 C VAL A 13 103.638 -1.779 -16.825 1.00 0.00 C ATOM 217 O VAL A 13 102.523 -2.269 -16.808 1.00 0.00 O ATOM 218 CB VAL A 13 104.618 -1.886 -14.494 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.527 -2.901 -14.125 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.869 -2.645 -14.936 1.00 0.00 C ATOM 0 H VAL A 13 102.157 -0.674 -14.921 1.00 0.00 H new ATOM 0 HA VAL A 13 104.965 -0.345 -16.003 1.00 0.00 H new ATOM 0 HB VAL A 13 104.836 -1.268 -13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.883 -3.539 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.631 -2.371 -13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.292 -3.514 -14.995 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.203 -3.297 -14.129 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.638 -3.246 -15.816 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.659 -1.934 -15.179 1.00 0.00 H new ATOM 230 N LEU A 14 104.435 -1.925 -17.852 1.00 0.00 N ATOM 231 CA LEU A 14 104.063 -2.898 -18.924 1.00 0.00 C ATOM 232 C LEU A 14 104.777 -4.218 -18.679 1.00 0.00 C ATOM 233 O LEU A 14 105.953 -4.246 -18.362 1.00 0.00 O ATOM 234 CB LEU A 14 104.512 -2.320 -20.275 1.00 0.00 C ATOM 235 CG LEU A 14 104.071 -0.853 -20.493 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.860 -0.633 -21.994 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.767 -0.525 -19.749 1.00 0.00 C ATOM 0 H LEU A 14 105.312 -1.423 -17.995 1.00 0.00 H new ATOM 0 HA LEU A 14 102.986 -3.067 -18.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.598 -2.379 -20.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.108 -2.936 -21.078 1.00 0.00 H new ATOM 0 HG LEU A 14 104.848 -0.198 -20.100 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.548 0.396 -22.171 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.792 -0.826 -22.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.089 -1.313 -22.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.496 0.515 -19.931 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.970 -1.176 -20.108 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.909 -0.681 -18.680 1.00 0.00 H new ATOM 249 N LEU A 15 104.077 -5.308 -18.820 1.00 0.00 N ATOM 250 CA LEU A 15 104.728 -6.639 -18.643 1.00 0.00 C ATOM 251 C LEU A 15 105.435 -7.052 -19.937 1.00 0.00 C ATOM 252 O LEU A 15 105.371 -6.363 -20.937 1.00 0.00 O ATOM 253 CB LEU A 15 103.596 -7.615 -18.309 1.00 0.00 C ATOM 254 CG LEU A 15 102.945 -7.222 -16.979 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.655 -8.022 -16.786 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.909 -7.528 -15.831 1.00 0.00 C ATOM 0 H LEU A 15 103.084 -5.337 -19.050 1.00 0.00 H new ATOM 0 HA LEU A 15 105.482 -6.623 -17.856 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.851 -7.608 -19.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.986 -8.631 -18.247 1.00 0.00 H new ATOM 0 HG LEU A 15 102.714 -6.157 -16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.192 -7.743 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.968 -7.807 -17.604 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.886 -9.087 -16.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.447 -7.249 -14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.138 -8.594 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.829 -6.960 -15.967 1.00 0.00 H new ATOM 268 N ASN A 16 106.108 -8.178 -19.917 1.00 0.00 N ATOM 269 CA ASN A 16 106.889 -8.637 -21.120 1.00 0.00 C ATOM 270 C ASN A 16 105.989 -8.769 -22.360 1.00 0.00 C ATOM 271 O ASN A 16 106.463 -8.737 -23.481 1.00 0.00 O ATOM 272 CB ASN A 16 107.480 -10.004 -20.732 1.00 0.00 C ATOM 273 CG ASN A 16 106.360 -10.987 -20.364 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.498 -11.274 -21.170 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.340 -11.516 -19.171 1.00 0.00 N ATOM 0 H ASN A 16 106.153 -8.806 -19.115 1.00 0.00 H new ATOM 0 HA ASN A 16 107.664 -7.917 -21.383 1.00 0.00 H new ATOM 0 HB2 ASN A 16 108.065 -10.403 -21.561 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.161 -9.887 -19.889 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.600 -12.170 -18.916 1.00 0.00 H new ATOM 0 HD22 ASN A 16 107.064 -11.275 -18.494 1.00 0.00 H new ATOM 282 N ASN A 17 104.701 -8.917 -22.167 1.00 0.00 N ATOM 283 CA ASN A 17 103.781 -9.133 -23.329 1.00 0.00 C ATOM 284 C ASN A 17 103.019 -7.844 -23.681 1.00 0.00 C ATOM 285 O ASN A 17 101.923 -7.896 -24.207 1.00 0.00 O ATOM 286 CB ASN A 17 102.814 -10.245 -22.885 1.00 0.00 C ATOM 287 CG ASN A 17 102.021 -9.813 -21.645 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.001 -9.166 -21.758 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.453 -10.151 -20.460 1.00 0.00 N ATOM 0 H ASN A 17 104.246 -8.898 -21.254 1.00 0.00 H new ATOM 0 HA ASN A 17 104.329 -9.413 -24.228 1.00 0.00 H new ATOM 0 HB2 ASN A 17 102.127 -10.482 -23.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.374 -11.154 -22.666 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.933 -9.871 -19.629 1.00 0.00 H new ATOM 0 HD22 ASN A 17 103.311 -10.695 -20.366 1.00 0.00 H new ATOM 296 N ASP A 18 103.586 -6.682 -23.392 1.00 0.00 N ATOM 297 CA ASP A 18 102.978 -5.382 -23.848 1.00 0.00 C ATOM 298 C ASP A 18 101.552 -5.224 -23.304 1.00 0.00 C ATOM 299 O ASP A 18 100.734 -4.539 -23.889 1.00 0.00 O ATOM 300 CB ASP A 18 102.967 -5.429 -25.385 1.00 0.00 C ATOM 301 CG ASP A 18 104.405 -5.486 -25.911 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.240 -4.773 -25.377 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.646 -6.241 -26.838 1.00 0.00 O ATOM 0 H ASP A 18 104.449 -6.583 -22.857 1.00 0.00 H new ATOM 0 HA ASP A 18 103.551 -4.531 -23.480 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.410 -6.301 -25.728 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.459 -4.550 -25.782 1.00 0.00 H new ATOM 308 N SER A 19 101.251 -5.854 -22.191 1.00 0.00 N ATOM 309 CA SER A 19 99.973 -5.555 -21.480 1.00 0.00 C ATOM 310 C SER A 19 100.254 -4.564 -20.351 1.00 0.00 C ATOM 311 O SER A 19 101.209 -4.717 -19.612 1.00 0.00 O ATOM 312 CB SER A 19 99.498 -6.894 -20.917 1.00 0.00 C ATOM 313 OG SER A 19 100.471 -7.394 -20.010 1.00 0.00 O ATOM 0 H SER A 19 101.837 -6.561 -21.748 1.00 0.00 H new ATOM 0 HA SER A 19 99.220 -5.113 -22.132 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.541 -6.769 -20.410 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.339 -7.606 -21.727 1.00 0.00 H new ATOM 0 HG SER A 19 100.653 -8.336 -20.212 1.00 0.00 H new ATOM 319 N LYS A 20 99.433 -3.556 -20.213 1.00 0.00 N ATOM 320 CA LYS A 20 99.759 -2.451 -19.260 1.00 0.00 C ATOM 321 C LYS A 20 98.818 -2.492 -18.051 1.00 0.00 C ATOM 322 O LYS A 20 97.629 -2.716 -18.187 1.00 0.00 O ATOM 323 CB LYS A 20 99.544 -1.142 -20.043 1.00 0.00 C ATOM 324 CG LYS A 20 100.163 -1.230 -21.447 1.00 0.00 C ATOM 325 CD LYS A 20 100.225 0.167 -22.069 1.00 0.00 C ATOM 326 CE LYS A 20 98.814 0.619 -22.455 1.00 0.00 C ATOM 327 NZ LYS A 20 98.558 -0.010 -23.780 1.00 0.00 N ATOM 0 H LYS A 20 98.553 -3.449 -20.717 1.00 0.00 H new ATOM 0 HA LYS A 20 100.779 -2.539 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.477 -0.934 -20.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.990 -0.310 -19.497 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.164 -1.658 -21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.570 -1.893 -22.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.663 0.872 -21.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.868 0.156 -22.949 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.080 0.296 -21.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.750 1.705 -22.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.563 0.722 -24.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.300 -0.710 -23.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.632 -0.482 -23.767 1.00 0.00 H new ATOM 341 N ALA A 21 99.350 -2.278 -16.871 1.00 0.00 N ATOM 342 CA ALA A 21 98.492 -2.215 -15.649 1.00 0.00 C ATOM 343 C ALA A 21 99.012 -1.133 -14.696 1.00 0.00 C ATOM 344 O ALA A 21 100.205 -0.906 -14.601 1.00 0.00 O ATOM 345 CB ALA A 21 98.615 -3.599 -15.008 1.00 0.00 C ATOM 0 H ALA A 21 100.347 -2.144 -16.703 1.00 0.00 H new ATOM 0 HA ALA A 21 97.457 -1.964 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.012 -3.635 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.263 -4.357 -15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.658 -3.793 -14.758 1.00 0.00 H new ATOM 351 N ARG A 22 98.127 -0.467 -13.992 1.00 0.00 N ATOM 352 CA ARG A 22 98.561 0.636 -13.077 1.00 0.00 C ATOM 353 C ARG A 22 97.798 0.570 -11.751 1.00 0.00 C ATOM 354 O ARG A 22 96.655 0.156 -11.706 1.00 0.00 O ATOM 355 CB ARG A 22 98.245 1.941 -13.827 1.00 0.00 C ATOM 356 CG ARG A 22 96.741 2.039 -14.127 1.00 0.00 C ATOM 357 CD ARG A 22 96.483 3.223 -15.065 1.00 0.00 C ATOM 358 NE ARG A 22 94.992 3.313 -15.189 1.00 0.00 N ATOM 359 CZ ARG A 22 94.425 3.999 -16.163 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.136 4.641 -17.061 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.122 4.044 -16.232 1.00 0.00 N ATOM 0 H ARG A 22 97.122 -0.640 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 22 99.620 0.563 -12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.559 2.796 -13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.811 1.978 -14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.390 1.115 -14.586 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.182 2.167 -13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.900 4.145 -14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.949 3.063 -16.037 1.00 0.00 H new ATOM 0 HE ARG A 22 94.404 2.834 -14.507 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.155 4.618 -17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.670 5.163 -17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.557 3.553 -15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.669 4.570 -16.979 1.00 0.00 H new ATOM 375 N GLY A 23 98.430 0.975 -10.675 1.00 0.00 N ATOM 376 CA GLY A 23 97.748 0.959 -9.346 1.00 0.00 C ATOM 377 C GLY A 23 98.723 1.451 -8.274 1.00 0.00 C ATOM 378 O GLY A 23 99.816 1.889 -8.581 1.00 0.00 O ATOM 0 H GLY A 23 99.391 1.316 -10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.864 1.596 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.408 -0.050 -9.110 1.00 0.00 H new ATOM 382 N VAL A 24 98.337 1.384 -7.022 1.00 0.00 N ATOM 383 CA VAL A 24 99.232 1.879 -5.929 1.00 0.00 C ATOM 384 C VAL A 24 100.099 0.728 -5.408 1.00 0.00 C ATOM 385 O VAL A 24 99.638 -0.384 -5.257 1.00 0.00 O ATOM 386 CB VAL A 24 98.296 2.400 -4.825 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.127 2.986 -3.678 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.382 3.494 -5.392 1.00 0.00 C ATOM 0 H VAL A 24 97.441 1.008 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 24 99.907 2.662 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 24 97.690 1.573 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.461 3.354 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.776 2.213 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.736 3.808 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.721 3.859 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.990 4.317 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.785 3.083 -6.206 1.00 0.00 H new ATOM 398 N ILE A 25 101.351 0.995 -5.135 1.00 0.00 N ATOM 399 CA ILE A 25 102.268 -0.084 -4.642 1.00 0.00 C ATOM 400 C ILE A 25 102.076 -0.285 -3.133 1.00 0.00 C ATOM 401 O ILE A 25 102.004 0.668 -2.378 1.00 0.00 O ATOM 402 CB ILE A 25 103.684 0.429 -4.970 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.869 0.452 -6.491 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.756 -0.475 -4.335 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.111 1.273 -6.845 1.00 0.00 C ATOM 0 H ILE A 25 101.781 1.915 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 25 102.077 -1.052 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 25 103.797 1.434 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.973 -0.565 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.988 0.882 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.747 -0.092 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.629 -0.485 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.652 -1.489 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.241 1.288 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.989 2.293 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.989 0.824 -6.381 1.00 0.00 H new ATOM 417 N THR A 26 101.995 -1.522 -2.692 1.00 0.00 N ATOM 418 CA THR A 26 101.730 -1.789 -1.243 1.00 0.00 C ATOM 419 C THR A 26 102.800 -2.700 -0.625 1.00 0.00 C ATOM 420 O THR A 26 103.161 -2.523 0.525 1.00 0.00 O ATOM 421 CB THR A 26 100.360 -2.473 -1.204 1.00 0.00 C ATOM 422 OG1 THR A 26 100.362 -3.599 -2.074 1.00 0.00 O ATOM 423 CG2 THR A 26 99.275 -1.481 -1.636 1.00 0.00 C ATOM 0 H THR A 26 102.101 -2.354 -3.273 1.00 0.00 H new ATOM 0 HA THR A 26 101.752 -0.866 -0.664 1.00 0.00 H new ATOM 0 HB THR A 26 100.152 -2.808 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.516 -3.301 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.302 -1.971 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.272 -0.627 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.479 -1.138 -2.650 1.00 0.00 H new ATOM 431 N ASN A 27 103.315 -3.670 -1.356 1.00 0.00 N ATOM 432 CA ASN A 27 104.222 -4.674 -0.712 1.00 0.00 C ATOM 433 C ASN A 27 105.385 -5.044 -1.636 1.00 0.00 C ATOM 434 O ASN A 27 105.293 -4.929 -2.843 1.00 0.00 O ATOM 435 CB ASN A 27 103.338 -5.895 -0.455 1.00 0.00 C ATOM 436 CG ASN A 27 104.001 -6.794 0.589 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.211 -6.385 1.714 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.341 -8.011 0.263 1.00 0.00 N ATOM 0 H ASN A 27 103.148 -3.805 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 27 104.669 -4.283 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.355 -5.579 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.185 -6.448 -1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.783 -8.619 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.165 -8.354 -0.681 1.00 0.00 H new ATOM 445 N PHE A 28 106.479 -5.485 -1.063 1.00 0.00 N ATOM 446 CA PHE A 28 107.633 -5.972 -1.876 1.00 0.00 C ATOM 447 C PHE A 28 108.379 -7.066 -1.109 1.00 0.00 C ATOM 448 O PHE A 28 108.554 -6.981 0.093 1.00 0.00 O ATOM 449 CB PHE A 28 108.525 -4.748 -2.077 1.00 0.00 C ATOM 450 CG PHE A 28 109.689 -4.999 -3.006 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.460 -5.197 -4.390 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.009 -5.036 -2.495 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.551 -5.432 -5.262 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.100 -5.271 -3.367 1.00 0.00 C ATOM 455 CZ PHE A 28 111.871 -5.469 -4.751 1.00 0.00 C ATOM 0 H PHE A 28 106.621 -5.528 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 28 107.322 -6.402 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.923 -3.930 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.906 -4.423 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.453 -5.169 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.184 -4.885 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.376 -5.583 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.107 -5.299 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.703 -5.648 -5.416 1.00 0.00 H new ATOM 465 N ASP A 29 108.817 -8.087 -1.797 1.00 0.00 N ATOM 466 CA ASP A 29 109.510 -9.223 -1.116 1.00 0.00 C ATOM 467 C ASP A 29 110.910 -9.405 -1.706 1.00 0.00 C ATOM 468 O ASP A 29 111.061 -9.627 -2.892 1.00 0.00 O ATOM 469 CB ASP A 29 108.639 -10.446 -1.404 1.00 0.00 C ATOM 470 CG ASP A 29 109.136 -11.635 -0.578 1.00 0.00 C ATOM 471 OD1 ASP A 29 108.785 -11.709 0.589 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.858 -12.450 -1.126 1.00 0.00 O ATOM 0 H ASP A 29 108.724 -8.184 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 29 109.633 -9.058 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 29 107.599 -10.230 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 29 108.674 -10.688 -2.466 1.00 0.00 H new ATOM 477 N SER A 30 111.928 -9.312 -0.887 1.00 0.00 N ATOM 478 CA SER A 30 113.330 -9.447 -1.401 1.00 0.00 C ATOM 479 C SER A 30 113.640 -10.907 -1.753 1.00 0.00 C ATOM 480 O SER A 30 114.433 -11.181 -2.635 1.00 0.00 O ATOM 481 CB SER A 30 114.229 -8.971 -0.259 1.00 0.00 C ATOM 482 OG SER A 30 114.142 -9.891 0.821 1.00 0.00 O ATOM 0 H SER A 30 111.851 -9.148 0.117 1.00 0.00 H new ATOM 0 HA SER A 30 113.483 -8.865 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.261 -8.891 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 30 113.924 -7.977 0.069 1.00 0.00 H new ATOM 0 HG SER A 30 114.718 -9.590 1.554 1.00 0.00 H new ATOM 488 N SER A 31 113.021 -11.842 -1.070 1.00 0.00 N ATOM 489 CA SER A 31 113.336 -13.291 -1.310 1.00 0.00 C ATOM 490 C SER A 31 112.935 -13.707 -2.730 1.00 0.00 C ATOM 491 O SER A 31 113.672 -14.395 -3.411 1.00 0.00 O ATOM 492 CB SER A 31 112.512 -14.064 -0.277 1.00 0.00 C ATOM 493 OG SER A 31 112.763 -13.532 1.017 1.00 0.00 O ATOM 0 H SER A 31 112.312 -11.666 -0.358 1.00 0.00 H new ATOM 0 HA SER A 31 114.403 -13.490 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.450 -13.991 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.773 -15.122 -0.305 1.00 0.00 H new ATOM 0 HG SER A 31 112.236 -14.024 1.681 1.00 0.00 H new ATOM 499 N ASN A 32 111.774 -13.292 -3.180 1.00 0.00 N ATOM 500 CA ASN A 32 111.303 -13.690 -4.546 1.00 0.00 C ATOM 501 C ASN A 32 110.973 -12.459 -5.409 1.00 0.00 C ATOM 502 O ASN A 32 110.458 -12.592 -6.503 1.00 0.00 O ATOM 503 CB ASN A 32 110.040 -14.518 -4.301 1.00 0.00 C ATOM 504 CG ASN A 32 110.410 -15.822 -3.589 1.00 0.00 C ATOM 505 OD1 ASN A 32 111.441 -16.407 -3.860 1.00 0.00 O ATOM 506 ND2 ASN A 32 109.605 -16.308 -2.683 1.00 0.00 N ATOM 0 H ASN A 32 111.132 -12.694 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 32 112.070 -14.244 -5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.332 -13.950 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.547 -14.736 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 32 109.841 -17.177 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 32 108.740 -15.819 -2.454 1.00 0.00 H new ATOM 513 N SER A 33 111.264 -11.262 -4.930 1.00 0.00 N ATOM 514 CA SER A 33 110.952 -10.011 -5.711 1.00 0.00 C ATOM 515 C SER A 33 109.485 -9.999 -6.173 1.00 0.00 C ATOM 516 O SER A 33 109.192 -10.076 -7.355 1.00 0.00 O ATOM 517 CB SER A 33 111.909 -10.030 -6.909 1.00 0.00 C ATOM 518 OG SER A 33 113.158 -9.475 -6.522 1.00 0.00 O ATOM 0 H SER A 33 111.707 -11.099 -4.026 1.00 0.00 H new ATOM 0 HA SER A 33 111.084 -9.114 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.046 -11.052 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.486 -9.460 -7.736 1.00 0.00 H new ATOM 0 HG SER A 33 113.772 -9.488 -7.286 1.00 0.00 H new ATOM 524 N ILE A 34 108.564 -9.901 -5.244 1.00 0.00 N ATOM 525 CA ILE A 34 107.111 -9.890 -5.609 1.00 0.00 C ATOM 526 C ILE A 34 106.463 -8.590 -5.116 1.00 0.00 C ATOM 527 O ILE A 34 106.638 -8.197 -3.977 1.00 0.00 O ATOM 528 CB ILE A 34 106.494 -11.109 -4.900 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.268 -12.401 -5.257 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.026 -11.262 -5.317 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.244 -12.669 -6.773 1.00 0.00 C ATOM 0 H ILE A 34 108.757 -9.828 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 34 106.957 -9.941 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 34 106.557 -10.950 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.300 -12.314 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 34 106.829 -13.248 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.593 -12.126 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.473 -10.365 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 104.967 -11.404 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 34 107.796 -13.583 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.212 -12.781 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.706 -11.833 -7.298 1.00 0.00 H new ATOM 543 N LEU A 35 105.716 -7.927 -5.966 1.00 0.00 N ATOM 544 CA LEU A 35 105.122 -6.605 -5.595 1.00 0.00 C ATOM 545 C LEU A 35 103.597 -6.680 -5.646 1.00 0.00 C ATOM 546 O LEU A 35 103.022 -7.118 -6.625 1.00 0.00 O ATOM 547 CB LEU A 35 105.649 -5.634 -6.654 1.00 0.00 C ATOM 548 CG LEU A 35 105.233 -4.202 -6.302 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.254 -3.591 -5.341 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.171 -3.363 -7.581 1.00 0.00 C ATOM 0 H LEU A 35 105.491 -8.248 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 35 105.389 -6.295 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.735 -5.702 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.258 -5.905 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 35 104.253 -4.216 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.956 -2.573 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.299 -4.188 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.236 -3.576 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.875 -2.344 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.152 -3.351 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.442 -3.796 -8.265 1.00 0.00 H new ATOM 562 N GLN A 36 102.941 -6.253 -4.596 1.00 0.00 N ATOM 563 CA GLN A 36 101.451 -6.194 -4.610 1.00 0.00 C ATOM 564 C GLN A 36 100.995 -4.778 -4.958 1.00 0.00 C ATOM 565 O GLN A 36 101.444 -3.812 -4.367 1.00 0.00 O ATOM 566 CB GLN A 36 101.020 -6.562 -3.191 1.00 0.00 C ATOM 567 CG GLN A 36 101.304 -8.045 -2.940 1.00 0.00 C ATOM 568 CD GLN A 36 100.938 -8.403 -1.497 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.107 -7.603 -0.597 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.440 -9.581 -1.237 1.00 0.00 N ATOM 0 H GLN A 36 103.377 -5.942 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 36 101.015 -6.867 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.557 -5.950 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.958 -6.356 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.729 -8.658 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.357 -8.260 -3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.298 -10.253 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.193 -9.830 -0.279 1.00 0.00 H new ATOM 579 N LEU A 37 100.107 -4.652 -5.914 1.00 0.00 N ATOM 580 CA LEU A 37 99.589 -3.304 -6.291 1.00 0.00 C ATOM 581 C LEU A 37 98.122 -3.175 -5.879 1.00 0.00 C ATOM 582 O LEU A 37 97.277 -3.930 -6.324 1.00 0.00 O ATOM 583 CB LEU A 37 99.723 -3.231 -7.814 1.00 0.00 C ATOM 584 CG LEU A 37 101.166 -2.893 -8.192 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.396 -3.221 -9.669 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.418 -1.401 -7.961 1.00 0.00 C ATOM 0 H LEU A 37 99.719 -5.428 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 37 100.136 -2.500 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.434 -4.183 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.047 -2.475 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 37 101.848 -3.479 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.424 -2.980 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.215 -4.282 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.713 -2.634 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.446 -1.160 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.735 -0.817 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.253 -1.162 -6.910 1.00 0.00 H new ATOM 598 N ARG A 38 97.821 -2.223 -5.033 1.00 0.00 N ATOM 599 CA ARG A 38 96.402 -2.001 -4.620 1.00 0.00 C ATOM 600 C ARG A 38 95.776 -0.903 -5.484 1.00 0.00 C ATOM 601 O ARG A 38 96.281 0.201 -5.557 1.00 0.00 O ATOM 602 CB ARG A 38 96.475 -1.566 -3.154 1.00 0.00 C ATOM 603 CG ARG A 38 95.062 -1.479 -2.571 1.00 0.00 C ATOM 604 CD ARG A 38 95.136 -0.978 -1.125 1.00 0.00 C ATOM 605 NE ARG A 38 93.728 -1.032 -0.614 1.00 0.00 N ATOM 606 CZ ARG A 38 93.364 -0.371 0.469 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.217 0.356 1.154 1.00 0.00 N ATOM 608 NH2 ARG A 38 92.124 -0.446 0.873 1.00 0.00 N ATOM 0 H ARG A 38 98.498 -1.589 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 38 95.787 -2.893 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.071 -2.277 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.971 -0.599 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.451 -0.804 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.583 -2.457 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.796 -1.604 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.532 0.037 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 38 93.037 -1.591 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.189 0.421 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.907 0.856 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.452 -1.010 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.828 0.059 1.708 1.00 0.00 H new ATOM 622 N LEU A 39 94.681 -1.204 -6.137 1.00 0.00 N ATOM 623 CA LEU A 39 94.081 -0.228 -7.097 1.00 0.00 C ATOM 624 C LEU A 39 92.875 0.481 -6.471 1.00 0.00 C ATOM 625 O LEU A 39 92.195 -0.063 -5.617 1.00 0.00 O ATOM 626 CB LEU A 39 93.663 -1.077 -8.302 1.00 0.00 C ATOM 627 CG LEU A 39 93.325 -0.181 -9.505 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.539 0.668 -9.897 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.951 -1.068 -10.690 1.00 0.00 C ATOM 0 H LEU A 39 94.176 -2.086 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 39 94.779 0.561 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.468 -1.763 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.798 -1.687 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 39 92.498 0.476 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.283 1.297 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.829 1.298 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.369 0.014 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.709 -0.443 -11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.791 -1.717 -10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.086 -1.678 -10.429 1.00 0.00 H new ATOM 641 N ALA A 40 92.608 1.692 -6.903 1.00 0.00 N ATOM 642 CA ALA A 40 91.547 2.532 -6.249 1.00 0.00 C ATOM 643 C ALA A 40 90.141 1.941 -6.451 1.00 0.00 C ATOM 644 O ALA A 40 89.179 2.440 -5.894 1.00 0.00 O ATOM 645 CB ALA A 40 91.644 3.901 -6.925 1.00 0.00 C ATOM 0 H ALA A 40 93.083 2.140 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 40 91.702 2.584 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.897 4.571 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.639 4.317 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.465 3.792 -7.995 1.00 0.00 H new ATOM 651 N ASN A 41 90.005 0.894 -7.234 1.00 0.00 N ATOM 652 CA ASN A 41 88.672 0.220 -7.374 1.00 0.00 C ATOM 653 C ASN A 41 88.473 -0.839 -6.274 1.00 0.00 C ATOM 654 O ASN A 41 87.764 -1.808 -6.472 1.00 0.00 O ATOM 655 CB ASN A 41 88.707 -0.451 -8.750 1.00 0.00 C ATOM 656 CG ASN A 41 88.761 0.618 -9.844 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.150 1.662 -9.723 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.472 0.401 -10.917 1.00 0.00 N ATOM 0 H ASN A 41 90.759 0.478 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 41 87.851 0.930 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.576 -1.105 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.824 -1.077 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.514 1.107 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 41 89.985 -0.474 -11.020 1.00 0.00 H new ATOM 665 N ASP A 42 89.091 -0.671 -5.112 1.00 0.00 N ATOM 666 CA ASP A 42 88.921 -1.656 -3.988 1.00 0.00 C ATOM 667 C ASP A 42 89.415 -3.046 -4.414 1.00 0.00 C ATOM 668 O ASP A 42 88.947 -4.053 -3.912 1.00 0.00 O ATOM 669 CB ASP A 42 87.417 -1.694 -3.681 1.00 0.00 C ATOM 670 CG ASP A 42 87.195 -2.278 -2.285 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.051 -3.485 -2.185 1.00 0.00 O ATOM 672 OD2 ASP A 42 87.174 -1.507 -1.339 1.00 0.00 O ATOM 0 H ASP A 42 89.708 0.113 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 42 89.500 -1.364 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.998 -0.689 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.898 -2.298 -4.426 1.00 0.00 H new ATOM 677 N SER A 43 90.357 -3.111 -5.335 1.00 0.00 N ATOM 678 CA SER A 43 90.887 -4.438 -5.777 1.00 0.00 C ATOM 679 C SER A 43 92.395 -4.513 -5.529 1.00 0.00 C ATOM 680 O SER A 43 93.103 -3.534 -5.671 1.00 0.00 O ATOM 681 CB SER A 43 90.584 -4.504 -7.274 1.00 0.00 C ATOM 682 OG SER A 43 89.179 -4.414 -7.473 1.00 0.00 O ATOM 0 H SER A 43 90.776 -2.303 -5.795 1.00 0.00 H new ATOM 0 HA SER A 43 90.435 -5.267 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.090 -3.691 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.963 -5.436 -7.693 1.00 0.00 H new ATOM 0 HG SER A 43 88.877 -3.504 -7.268 1.00 0.00 H new ATOM 688 N THR A 44 92.886 -5.671 -5.159 1.00 0.00 N ATOM 689 CA THR A 44 94.355 -5.832 -4.917 1.00 0.00 C ATOM 690 C THR A 44 94.898 -7.006 -5.740 1.00 0.00 C ATOM 691 O THR A 44 94.224 -8.002 -5.931 1.00 0.00 O ATOM 692 CB THR A 44 94.492 -6.099 -3.408 1.00 0.00 C ATOM 693 OG1 THR A 44 95.867 -6.253 -3.080 1.00 0.00 O ATOM 694 CG2 THR A 44 93.726 -7.370 -3.012 1.00 0.00 C ATOM 0 H THR A 44 92.331 -6.514 -5.014 1.00 0.00 H new ATOM 0 HA THR A 44 94.924 -4.952 -5.216 1.00 0.00 H new ATOM 0 HB THR A 44 94.072 -5.254 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.957 -6.421 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.835 -7.542 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.670 -7.249 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.128 -8.223 -3.559 1.00 0.00 H new ATOM 702 N LYS A 45 96.110 -6.891 -6.226 1.00 0.00 N ATOM 703 CA LYS A 45 96.688 -7.976 -7.076 1.00 0.00 C ATOM 704 C LYS A 45 98.187 -8.126 -6.802 1.00 0.00 C ATOM 705 O LYS A 45 98.892 -7.150 -6.621 1.00 0.00 O ATOM 706 CB LYS A 45 96.449 -7.519 -8.516 1.00 0.00 C ATOM 707 CG LYS A 45 96.787 -8.659 -9.478 1.00 0.00 C ATOM 708 CD LYS A 45 96.595 -8.185 -10.921 1.00 0.00 C ATOM 709 CE LYS A 45 96.756 -9.371 -11.874 1.00 0.00 C ATOM 710 NZ LYS A 45 95.947 -9.013 -13.072 1.00 0.00 N ATOM 0 H LYS A 45 96.724 -6.091 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 45 96.232 -8.945 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.410 -7.217 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.064 -6.647 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.816 -8.985 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.147 -9.519 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.607 -7.741 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.324 -7.411 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.802 -9.528 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.400 -10.295 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.007 -9.779 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.955 -8.877 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.314 -8.133 -13.488 1.00 0.00 H new ATOM 724 N SER A 46 98.673 -9.343 -6.771 1.00 0.00 N ATOM 725 CA SER A 46 100.135 -9.570 -6.560 1.00 0.00 C ATOM 726 C SER A 46 100.816 -9.878 -7.896 1.00 0.00 C ATOM 727 O SER A 46 100.442 -10.807 -8.590 1.00 0.00 O ATOM 728 CB SER A 46 100.217 -10.775 -5.624 1.00 0.00 C ATOM 729 OG SER A 46 99.743 -11.931 -6.303 1.00 0.00 O ATOM 0 H SER A 46 98.117 -10.191 -6.883 1.00 0.00 H new ATOM 0 HA SER A 46 100.635 -8.697 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.246 -10.927 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.622 -10.596 -4.729 1.00 0.00 H new ATOM 0 HG SER A 46 99.736 -11.764 -7.269 1.00 0.00 H new ATOM 735 N ILE A 47 101.811 -9.106 -8.258 1.00 0.00 N ATOM 736 CA ILE A 47 102.521 -9.337 -9.554 1.00 0.00 C ATOM 737 C ILE A 47 104.031 -9.391 -9.303 1.00 0.00 C ATOM 738 O ILE A 47 104.588 -8.529 -8.645 1.00 0.00 O ATOM 739 CB ILE A 47 102.154 -8.135 -10.442 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.633 -8.080 -10.643 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.831 -8.276 -11.811 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.245 -6.742 -11.276 1.00 0.00 C ATOM 0 H ILE A 47 102.163 -8.322 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 47 102.236 -10.277 -10.027 1.00 0.00 H new ATOM 0 HB ILE A 47 102.493 -7.221 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.311 -8.903 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.125 -8.202 -9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.568 -7.423 -12.436 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.913 -8.311 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.494 -9.195 -12.291 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.165 -6.706 -11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.553 -5.927 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.741 -6.639 -12.241 1.00 0.00 H new ATOM 754 N VAL A 48 104.693 -10.395 -9.821 1.00 0.00 N ATOM 755 CA VAL A 48 106.169 -10.516 -9.600 1.00 0.00 C ATOM 756 C VAL A 48 106.898 -9.465 -10.444 1.00 0.00 C ATOM 757 O VAL A 48 106.552 -9.229 -11.585 1.00 0.00 O ATOM 758 CB VAL A 48 106.556 -11.938 -10.043 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.028 -12.200 -9.698 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.662 -12.980 -9.343 1.00 0.00 C ATOM 0 H VAL A 48 104.277 -11.135 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 48 106.442 -10.350 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 48 106.414 -12.024 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.302 -13.207 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.657 -11.475 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.172 -12.104 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 48 105.948 -13.981 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.786 -12.899 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.619 -12.799 -9.604 1.00 0.00 H new ATOM 770 N THR A 49 107.901 -8.835 -9.887 1.00 0.00 N ATOM 771 CA THR A 49 108.571 -7.699 -10.598 1.00 0.00 C ATOM 772 C THR A 49 109.451 -8.202 -11.750 1.00 0.00 C ATOM 773 O THR A 49 109.711 -7.478 -12.693 1.00 0.00 O ATOM 774 CB THR A 49 109.422 -6.992 -9.539 1.00 0.00 C ATOM 775 OG1 THR A 49 110.314 -7.925 -8.951 1.00 0.00 O ATOM 776 CG2 THR A 49 108.515 -6.396 -8.460 1.00 0.00 C ATOM 0 H THR A 49 108.287 -9.057 -8.969 1.00 0.00 H new ATOM 0 HA THR A 49 107.838 -7.028 -11.045 1.00 0.00 H new ATOM 0 HB THR A 49 109.992 -6.191 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.860 -7.473 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.125 -5.894 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 49 107.834 -5.677 -8.914 1.00 0.00 H new ATOM 0 HG23 THR A 49 107.940 -7.192 -7.988 1.00 0.00 H new ATOM 784 N LYS A 50 109.916 -9.427 -11.685 1.00 0.00 N ATOM 785 CA LYS A 50 110.835 -9.941 -12.756 1.00 0.00 C ATOM 786 C LYS A 50 110.140 -9.929 -14.123 1.00 0.00 C ATOM 787 O LYS A 50 110.791 -9.861 -15.151 1.00 0.00 O ATOM 788 CB LYS A 50 111.195 -11.378 -12.349 1.00 0.00 C ATOM 789 CG LYS A 50 111.967 -11.381 -11.021 1.00 0.00 C ATOM 790 CD LYS A 50 112.165 -12.824 -10.549 1.00 0.00 C ATOM 791 CE LYS A 50 110.838 -13.386 -10.038 1.00 0.00 C ATOM 792 NZ LYS A 50 111.156 -14.766 -9.577 1.00 0.00 N ATOM 0 H LYS A 50 109.702 -10.092 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 50 111.723 -9.315 -12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.287 -11.973 -12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.798 -11.843 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.933 -10.893 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.420 -10.813 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.539 -13.437 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.914 -12.859 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 50 110.440 -12.780 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 110.084 -13.397 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 110.293 -15.217 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.526 -15.322 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.871 -14.724 -8.823 1.00 0.00 H new ATOM 806 N ASP A 51 108.830 -9.994 -14.147 1.00 0.00 N ATOM 807 CA ASP A 51 108.101 -9.896 -15.452 1.00 0.00 C ATOM 808 C ASP A 51 107.788 -8.429 -15.809 1.00 0.00 C ATOM 809 O ASP A 51 107.024 -8.167 -16.723 1.00 0.00 O ATOM 810 CB ASP A 51 106.809 -10.715 -15.279 1.00 0.00 C ATOM 811 CG ASP A 51 105.954 -10.163 -14.131 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.635 -8.987 -14.161 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.632 -10.932 -13.240 1.00 0.00 O ATOM 0 H ASP A 51 108.237 -10.110 -13.325 1.00 0.00 H new ATOM 0 HA ASP A 51 108.707 -10.282 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 51 106.235 -10.695 -16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.059 -11.757 -15.081 1.00 0.00 H new ATOM 818 N ILE A 52 108.364 -7.474 -15.105 1.00 0.00 N ATOM 819 CA ILE A 52 108.203 -6.038 -15.516 1.00 0.00 C ATOM 820 C ILE A 52 109.024 -5.766 -16.780 1.00 0.00 C ATOM 821 O ILE A 52 110.240 -5.802 -16.759 1.00 0.00 O ATOM 822 CB ILE A 52 108.733 -5.203 -14.334 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.838 -5.426 -13.107 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.740 -3.707 -14.702 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.493 -4.796 -11.873 1.00 0.00 C ATOM 0 H ILE A 52 108.933 -7.627 -14.272 1.00 0.00 H new ATOM 0 HA ILE A 52 107.166 -5.790 -15.742 1.00 0.00 H new ATOM 0 HB ILE A 52 109.752 -5.517 -14.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.856 -4.984 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.684 -6.493 -12.945 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.116 -3.127 -13.859 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.383 -3.548 -15.568 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.726 -3.386 -14.939 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.857 -4.955 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.465 -5.258 -11.701 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.624 -3.726 -12.037 1.00 0.00 H new ATOM 837 N LYS A 53 108.361 -5.495 -17.879 1.00 0.00 N ATOM 838 CA LYS A 53 109.095 -5.044 -19.103 1.00 0.00 C ATOM 839 C LYS A 53 109.421 -3.553 -19.003 1.00 0.00 C ATOM 840 O LYS A 53 110.494 -3.121 -19.383 1.00 0.00 O ATOM 841 CB LYS A 53 108.143 -5.303 -20.272 1.00 0.00 C ATOM 842 CG LYS A 53 108.866 -5.041 -21.596 1.00 0.00 C ATOM 843 CD LYS A 53 107.891 -5.241 -22.758 1.00 0.00 C ATOM 844 CE LYS A 53 108.647 -5.130 -24.084 1.00 0.00 C ATOM 845 NZ LYS A 53 107.729 -5.717 -25.100 1.00 0.00 N ATOM 0 H LYS A 53 107.349 -5.566 -17.981 1.00 0.00 H new ATOM 0 HA LYS A 53 110.040 -5.573 -19.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.784 -6.332 -20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.268 -4.658 -20.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.263 -4.026 -21.611 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.715 -5.717 -21.699 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.412 -6.217 -22.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.099 -4.493 -22.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.883 -4.092 -24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.592 -5.671 -24.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.012 -5.399 -26.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.778 -6.755 -25.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.755 -5.407 -24.908 1.00 0.00 H new ATOM 859 N ASP A 54 108.505 -2.766 -18.491 1.00 0.00 N ATOM 860 CA ASP A 54 108.706 -1.276 -18.498 1.00 0.00 C ATOM 861 C ASP A 54 107.944 -0.617 -17.347 1.00 0.00 C ATOM 862 O ASP A 54 106.873 -1.055 -16.974 1.00 0.00 O ATOM 863 CB ASP A 54 108.149 -0.800 -19.841 1.00 0.00 C ATOM 864 CG ASP A 54 109.079 -1.243 -20.973 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.276 -1.045 -20.843 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.577 -1.774 -21.950 1.00 0.00 O ATOM 0 H ASP A 54 107.632 -3.085 -18.071 1.00 0.00 H new ATOM 0 HA ASP A 54 109.756 -1.013 -18.371 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.151 -1.209 -19.997 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.052 0.286 -19.841 1.00 0.00 H new ATOM 871 N LEU A 55 108.490 0.439 -16.789 1.00 0.00 N ATOM 872 CA LEU A 55 107.854 1.089 -15.601 1.00 0.00 C ATOM 873 C LEU A 55 107.650 2.591 -15.840 1.00 0.00 C ATOM 874 O LEU A 55 108.459 3.241 -16.475 1.00 0.00 O ATOM 875 CB LEU A 55 108.845 0.879 -14.454 1.00 0.00 C ATOM 876 CG LEU A 55 108.781 -0.571 -13.971 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.118 -0.960 -13.338 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.667 -0.713 -12.931 1.00 0.00 C ATOM 0 H LEU A 55 109.353 0.879 -17.108 1.00 0.00 H new ATOM 0 HA LEU A 55 106.872 0.664 -15.392 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.855 1.117 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.612 1.556 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 55 108.576 -1.226 -14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.071 -1.993 -12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.913 -0.859 -14.077 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.324 -0.305 -12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.621 -1.746 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.873 -0.057 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.713 -0.437 -13.380 1.00 0.00 H new ATOM 890 N ARG A 56 106.571 3.137 -15.333 1.00 0.00 N ATOM 891 CA ARG A 56 106.376 4.620 -15.373 1.00 0.00 C ATOM 892 C ARG A 56 105.559 5.076 -14.155 1.00 0.00 C ATOM 893 O ARG A 56 104.857 4.291 -13.543 1.00 0.00 O ATOM 894 CB ARG A 56 105.621 4.900 -16.681 1.00 0.00 C ATOM 895 CG ARG A 56 104.231 4.248 -16.650 1.00 0.00 C ATOM 896 CD ARG A 56 103.494 4.544 -17.958 1.00 0.00 C ATOM 897 NE ARG A 56 104.279 3.847 -19.029 1.00 0.00 N ATOM 898 CZ ARG A 56 104.127 4.154 -20.303 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.277 5.076 -20.695 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.838 3.523 -21.198 1.00 0.00 N ATOM 0 H ARG A 56 105.813 2.616 -14.891 1.00 0.00 H new ATOM 0 HA ARG A 56 107.321 5.162 -15.339 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.521 5.976 -16.827 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.191 4.515 -17.526 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.327 3.171 -16.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.659 4.629 -15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.468 4.177 -17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.442 5.617 -18.145 1.00 0.00 H new ATOM 0 HE ARG A 56 104.945 3.120 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.713 5.576 -20.007 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.181 5.292 -21.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.500 2.803 -20.908 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.731 3.750 -22.187 1.00 0.00 H new ATOM 914 N ILE A 57 105.648 6.335 -13.804 1.00 0.00 N ATOM 915 CA ILE A 57 104.808 6.872 -12.687 1.00 0.00 C ATOM 916 C ILE A 57 103.751 7.824 -13.259 1.00 0.00 C ATOM 917 O ILE A 57 104.062 8.716 -14.025 1.00 0.00 O ATOM 918 CB ILE A 57 105.781 7.623 -11.760 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.867 6.662 -11.254 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.012 8.185 -10.558 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.974 7.456 -10.555 1.00 0.00 C ATOM 0 H ILE A 57 106.267 7.016 -14.243 1.00 0.00 H new ATOM 0 HA ILE A 57 104.281 6.087 -12.146 1.00 0.00 H new ATOM 0 HB ILE A 57 106.245 8.437 -12.317 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.433 5.939 -10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.283 6.096 -12.088 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.701 8.717 -9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.241 8.872 -10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.547 7.367 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.743 6.771 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.416 8.162 -11.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.553 8.002 -9.711 1.00 0.00 H new ATOM 933 N LEU A 58 102.506 7.636 -12.890 1.00 0.00 N ATOM 934 CA LEU A 58 101.411 8.469 -13.485 1.00 0.00 C ATOM 935 C LEU A 58 101.435 9.883 -12.884 1.00 0.00 C ATOM 936 O LEU A 58 102.012 10.089 -11.833 1.00 0.00 O ATOM 937 CB LEU A 58 100.104 7.753 -13.128 1.00 0.00 C ATOM 938 CG LEU A 58 100.063 6.384 -13.812 1.00 0.00 C ATOM 939 CD1 LEU A 58 98.996 5.511 -13.148 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.728 6.557 -15.296 1.00 0.00 C ATOM 0 H LEU A 58 102.201 6.944 -12.205 1.00 0.00 H new ATOM 0 HA LEU A 58 101.524 8.578 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.027 7.633 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.251 8.354 -13.443 1.00 0.00 H new ATOM 0 HG LEU A 58 101.038 5.905 -13.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.968 4.537 -13.636 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.237 5.382 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.022 5.992 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.700 5.580 -15.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.756 7.039 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.490 7.175 -15.771 1.00 0.00 H new ATOM 952 N PRO A 59 100.805 10.822 -13.569 1.00 0.00 N ATOM 953 CA PRO A 59 100.813 12.240 -13.107 1.00 0.00 C ATOM 954 C PRO A 59 100.171 12.366 -11.718 1.00 0.00 C ATOM 955 O PRO A 59 99.174 11.733 -11.427 1.00 0.00 O ATOM 956 CB PRO A 59 99.983 12.985 -14.159 1.00 0.00 C ATOM 957 CG PRO A 59 99.904 12.066 -15.337 1.00 0.00 C ATOM 958 CD PRO A 59 100.040 10.663 -14.815 1.00 0.00 C ATOM 0 HA PRO A 59 101.822 12.640 -13.012 1.00 0.00 H new ATOM 0 HB2 PRO A 59 98.989 13.220 -13.779 1.00 0.00 H new ATOM 0 HB3 PRO A 59 100.453 13.930 -14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 59 98.956 12.192 -15.860 1.00 0.00 H new ATOM 0 HG3 PRO A 59 100.695 12.289 -16.053 1.00 0.00 H new ATOM 0 HD2 PRO A 59 99.066 10.209 -14.631 1.00 0.00 H new ATOM 0 HD3 PRO A 59 100.562 10.021 -15.525 1.00 0.00 H new ATOM 966 N LYS A 60 100.744 13.182 -10.867 1.00 0.00 N ATOM 967 CA LYS A 60 100.170 13.382 -9.501 1.00 0.00 C ATOM 968 C LYS A 60 100.501 14.788 -8.993 1.00 0.00 C ATOM 969 O LYS A 60 99.618 15.577 -8.708 1.00 0.00 O ATOM 970 CB LYS A 60 100.843 12.321 -8.629 1.00 0.00 C ATOM 971 CG LYS A 60 100.165 12.278 -7.258 1.00 0.00 C ATOM 972 CD LYS A 60 100.882 11.266 -6.364 1.00 0.00 C ATOM 973 CE LYS A 60 100.123 11.123 -5.043 1.00 0.00 C ATOM 974 NZ LYS A 60 100.514 12.317 -4.243 1.00 0.00 N ATOM 0 H LYS A 60 101.588 13.720 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 60 99.084 13.287 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 60 100.776 11.345 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 60 101.903 12.548 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 60 100.189 13.266 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 60 99.116 12.003 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.944 10.301 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 60 101.905 11.593 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 60 99.046 11.094 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 60 100.392 10.199 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 100.878 12.011 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 101.253 12.847 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.684 12.928 -4.103 1.00 0.00 H new ATOM 988 N ASN A 61 101.769 15.102 -8.880 1.00 0.00 N ATOM 989 CA ASN A 61 102.177 16.463 -8.412 1.00 0.00 C ATOM 990 C ASN A 61 102.862 17.227 -9.549 1.00 0.00 C ATOM 991 O ASN A 61 103.346 16.636 -10.497 1.00 0.00 O ATOM 992 CB ASN A 61 103.160 16.212 -7.266 1.00 0.00 C ATOM 993 CG ASN A 61 102.420 15.581 -6.085 1.00 0.00 C ATOM 994 OD1 ASN A 61 102.825 14.553 -5.578 1.00 0.00 O ATOM 995 ND2 ASN A 61 101.346 16.157 -5.620 1.00 0.00 N ATOM 0 H ASN A 61 102.542 14.471 -9.093 1.00 0.00 H new ATOM 0 HA ASN A 61 101.325 17.063 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 61 103.962 15.554 -7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 61 103.624 17.150 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 61 100.847 15.745 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 61 101.005 17.020 -6.045 1.00 0.00 H new ATOM 1002 N GLU A 62 102.906 18.534 -9.458 1.00 0.00 N ATOM 1003 CA GLU A 62 103.550 19.347 -10.534 1.00 0.00 C ATOM 1004 C GLU A 62 105.011 19.638 -10.173 1.00 0.00 C ATOM 1005 O GLU A 62 105.305 20.139 -9.104 1.00 0.00 O ATOM 1006 CB GLU A 62 102.741 20.645 -10.591 1.00 0.00 C ATOM 1007 CG GLU A 62 103.178 21.470 -11.804 1.00 0.00 C ATOM 1008 CD GLU A 62 102.456 22.820 -11.793 1.00 0.00 C ATOM 1009 OE1 GLU A 62 101.265 22.831 -11.530 1.00 0.00 O ATOM 1010 OE2 GLU A 62 103.107 23.820 -12.050 1.00 0.00 O ATOM 0 H GLU A 62 102.522 19.073 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 62 103.557 18.831 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 101.677 20.419 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 62 102.890 21.218 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 62 104.257 21.623 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 62 102.950 20.932 -12.724 1.00 0.00 H new ATOM 1017 N ILE A 63 105.924 19.327 -11.062 1.00 0.00 N ATOM 1018 CA ILE A 63 107.371 19.588 -10.791 1.00 0.00 C ATOM 1019 C ILE A 63 108.012 20.310 -11.988 1.00 0.00 C ATOM 1020 O ILE A 63 107.766 19.967 -13.130 1.00 0.00 O ATOM 1021 CB ILE A 63 107.995 18.197 -10.569 1.00 0.00 C ATOM 1022 CG1 ILE A 63 109.480 18.348 -10.216 1.00 0.00 C ATOM 1023 CG2 ILE A 63 107.858 17.337 -11.832 1.00 0.00 C ATOM 1024 CD1 ILE A 63 110.004 17.030 -9.644 1.00 0.00 C ATOM 0 H ILE A 63 105.727 18.902 -11.968 1.00 0.00 H new ATOM 0 HA ILE A 63 107.526 20.233 -9.926 1.00 0.00 H new ATOM 0 HB ILE A 63 107.468 17.707 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 110.050 18.624 -11.103 1.00 0.00 H new ATOM 0 HG13 ILE A 63 109.613 19.150 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 63 108.304 16.358 -11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 63 106.803 17.216 -12.077 1.00 0.00 H new ATOM 0 HG23 ILE A 63 108.369 17.825 -12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 63 111.059 17.136 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 63 109.441 16.774 -8.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 109.885 16.239 -10.385 1.00 0.00 H new ATOM 1036 N MET A 64 108.827 21.303 -11.727 1.00 0.00 N ATOM 1037 CA MET A 64 109.498 22.044 -12.844 1.00 0.00 C ATOM 1038 C MET A 64 110.615 21.184 -13.463 1.00 0.00 C ATOM 1039 O MET A 64 111.173 20.338 -12.789 1.00 0.00 O ATOM 1040 CB MET A 64 110.072 23.329 -12.217 1.00 0.00 C ATOM 1041 CG MET A 64 111.063 22.992 -11.092 1.00 0.00 C ATOM 1042 SD MET A 64 112.130 24.421 -10.780 1.00 0.00 S ATOM 1043 CE MET A 64 112.387 24.131 -9.012 1.00 0.00 C ATOM 0 H MET A 64 109.057 21.633 -10.790 1.00 0.00 H new ATOM 0 HA MET A 64 108.801 22.279 -13.648 1.00 0.00 H new ATOM 0 HB2 MET A 64 110.573 23.921 -12.983 1.00 0.00 H new ATOM 0 HB3 MET A 64 109.260 23.940 -11.822 1.00 0.00 H new ATOM 0 HG2 MET A 64 110.522 22.724 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 64 111.666 22.128 -11.371 1.00 0.00 H new ATOM 0 HE1 MET A 64 113.031 24.911 -8.605 1.00 0.00 H new ATOM 0 HE2 MET A 64 111.426 24.148 -8.497 1.00 0.00 H new ATOM 0 HE3 MET A 64 112.859 23.159 -8.868 1.00 0.00 H new ATOM 1053 N PRO A 65 110.909 21.421 -14.728 1.00 0.00 N ATOM 1054 CA PRO A 65 111.973 20.641 -15.416 1.00 0.00 C ATOM 1055 C PRO A 65 113.348 20.987 -14.833 1.00 0.00 C ATOM 1056 O PRO A 65 113.667 22.142 -14.623 1.00 0.00 O ATOM 1057 CB PRO A 65 111.872 21.085 -16.877 1.00 0.00 C ATOM 1058 CG PRO A 65 111.178 22.408 -16.843 1.00 0.00 C ATOM 1059 CD PRO A 65 110.295 22.417 -15.624 1.00 0.00 C ATOM 0 HA PRO A 65 111.853 19.564 -15.300 1.00 0.00 H new ATOM 0 HB2 PRO A 65 112.859 21.171 -17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 65 111.311 20.362 -17.469 1.00 0.00 H new ATOM 0 HG2 PRO A 65 111.902 23.221 -16.799 1.00 0.00 H new ATOM 0 HG3 PRO A 65 110.587 22.556 -17.747 1.00 0.00 H new ATOM 0 HD2 PRO A 65 110.264 23.404 -15.162 1.00 0.00 H new ATOM 0 HD3 PRO A 65 109.268 22.149 -15.874 1.00 0.00 H new ATOM 1067 N LYS A 66 114.159 19.990 -14.573 1.00 0.00 N ATOM 1068 CA LYS A 66 115.521 20.246 -14.013 1.00 0.00 C ATOM 1069 C LYS A 66 116.572 20.185 -15.126 1.00 0.00 C ATOM 1070 O LYS A 66 117.229 21.168 -15.421 1.00 0.00 O ATOM 1071 CB LYS A 66 115.746 19.129 -12.990 1.00 0.00 C ATOM 1072 CG LYS A 66 117.024 19.409 -12.197 1.00 0.00 C ATOM 1073 CD LYS A 66 117.288 18.255 -11.228 1.00 0.00 C ATOM 1074 CE LYS A 66 118.472 18.607 -10.324 1.00 0.00 C ATOM 1075 NZ LYS A 66 117.887 19.424 -9.225 1.00 0.00 N ATOM 0 H LYS A 66 113.934 19.007 -14.726 1.00 0.00 H new ATOM 0 HA LYS A 66 115.603 21.233 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 66 114.893 19.064 -12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 66 115.824 18.168 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 66 117.868 19.527 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 66 116.925 20.345 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 66 116.401 18.063 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 66 117.500 17.341 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 66 118.953 17.709 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 66 119.233 19.166 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 118.547 20.187 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 116.986 19.836 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 117.719 18.820 -8.395 1.00 0.00 H new ATOM 1089 N ASN A 67 116.734 19.040 -15.741 1.00 0.00 N ATOM 1090 CA ASN A 67 117.760 18.896 -16.822 1.00 0.00 C ATOM 1091 C ASN A 67 117.160 19.276 -18.180 1.00 0.00 C ATOM 1092 O ASN A 67 117.842 19.803 -19.040 1.00 0.00 O ATOM 1093 CB ASN A 67 118.158 17.419 -16.808 1.00 0.00 C ATOM 1094 CG ASN A 67 118.895 17.100 -15.504 1.00 0.00 C ATOM 1095 OD1 ASN A 67 118.536 16.177 -14.801 1.00 0.00 O ATOM 1096 ND2 ASN A 67 119.918 17.830 -15.151 1.00 0.00 N ATOM 0 H ASN A 67 116.198 18.195 -15.541 1.00 0.00 H new ATOM 0 HA ASN A 67 118.618 19.549 -16.659 1.00 0.00 H new ATOM 0 HB2 ASN A 67 117.271 16.792 -16.900 1.00 0.00 H new ATOM 0 HB3 ASN A 67 118.796 17.195 -17.663 1.00 0.00 H new ATOM 0 HD21 ASN A 67 120.416 17.625 -14.285 1.00 0.00 H new ATOM 0 HD22 ASN A 67 120.219 18.605 -15.742 1.00 0.00 H new ATOM 1103 N GLY A 68 115.890 19.011 -18.375 1.00 0.00 N ATOM 1104 CA GLY A 68 115.242 19.332 -19.681 1.00 0.00 C ATOM 1105 C GLY A 68 115.466 18.176 -20.659 1.00 0.00 C ATOM 1106 O GLY A 68 116.141 18.323 -21.661 1.00 0.00 O ATOM 0 H GLY A 68 115.275 18.585 -17.682 1.00 0.00 H new ATOM 0 HA2 GLY A 68 114.175 19.500 -19.538 1.00 0.00 H new ATOM 0 HA3 GLY A 68 115.658 20.253 -20.089 1.00 0.00 H new ATOM 1110 N THR A 69 114.902 17.026 -20.372 1.00 0.00 N ATOM 1111 CA THR A 69 115.087 15.841 -21.273 1.00 0.00 C ATOM 1112 C THR A 69 114.434 16.099 -22.637 1.00 0.00 C ATOM 1113 O THR A 69 114.937 15.678 -23.661 1.00 0.00 O ATOM 1114 CB THR A 69 114.395 14.675 -20.560 1.00 0.00 C ATOM 1115 OG1 THR A 69 114.857 14.602 -19.219 1.00 0.00 O ATOM 1116 CG2 THR A 69 114.717 13.366 -21.283 1.00 0.00 C ATOM 0 H THR A 69 114.320 16.856 -19.551 1.00 0.00 H new ATOM 0 HA THR A 69 116.141 15.634 -21.459 1.00 0.00 H new ATOM 0 HB THR A 69 113.317 14.834 -20.567 1.00 0.00 H new ATOM 0 HG1 THR A 69 114.414 13.858 -18.760 1.00 0.00 H new ATOM 0 HG21 THR A 69 114.224 12.538 -20.774 1.00 0.00 H new ATOM 0 HG22 THR A 69 114.362 13.422 -22.312 1.00 0.00 H new ATOM 0 HG23 THR A 69 115.795 13.204 -21.279 1.00 0.00 H new ATOM 1124 N LYS A 70 113.319 16.791 -22.650 1.00 0.00 N ATOM 1125 CA LYS A 70 112.609 17.064 -23.944 1.00 0.00 C ATOM 1126 C LYS A 70 113.476 17.937 -24.858 1.00 0.00 C ATOM 1127 O LYS A 70 113.555 17.709 -26.051 1.00 0.00 O ATOM 1128 CB LYS A 70 111.326 17.806 -23.556 1.00 0.00 C ATOM 1129 CG LYS A 70 110.415 17.932 -24.779 1.00 0.00 C ATOM 1130 CD LYS A 70 109.768 16.578 -25.077 1.00 0.00 C ATOM 1131 CE LYS A 70 108.803 16.720 -26.256 1.00 0.00 C ATOM 1132 NZ LYS A 70 108.274 15.347 -26.487 1.00 0.00 N ATOM 0 H LYS A 70 112.869 17.179 -21.821 1.00 0.00 H new ATOM 0 HA LYS A 70 112.397 16.145 -24.491 1.00 0.00 H new ATOM 0 HB2 LYS A 70 110.810 17.269 -22.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 111.569 18.795 -23.168 1.00 0.00 H new ATOM 0 HG2 LYS A 70 109.645 18.682 -24.596 1.00 0.00 H new ATOM 0 HG3 LYS A 70 110.991 18.269 -25.641 1.00 0.00 H new ATOM 0 HD2 LYS A 70 110.536 15.840 -25.309 1.00 0.00 H new ATOM 0 HD3 LYS A 70 109.234 16.217 -24.198 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.999 17.419 -26.026 1.00 0.00 H new ATOM 0 HE3 LYS A 70 109.314 17.101 -27.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 107.604 15.362 -27.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 109.061 14.705 -26.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.787 15.014 -25.630 1.00 0.00 H new ATOM 1146 N SER A 71 114.126 18.932 -24.303 1.00 0.00 N ATOM 1147 CA SER A 71 114.998 19.822 -25.128 1.00 0.00 C ATOM 1148 C SER A 71 116.169 20.350 -24.285 1.00 0.00 C ATOM 1149 O SER A 71 116.057 20.440 -23.076 1.00 0.00 O ATOM 1150 CB SER A 71 114.090 20.973 -25.563 1.00 0.00 C ATOM 1151 OG SER A 71 113.047 20.462 -26.383 1.00 0.00 O ATOM 0 H SER A 71 114.089 19.165 -23.311 1.00 0.00 H new ATOM 0 HA SER A 71 115.432 19.299 -25.980 1.00 0.00 H new ATOM 0 HB2 SER A 71 113.671 21.471 -24.689 1.00 0.00 H new ATOM 0 HB3 SER A 71 114.666 21.720 -26.110 1.00 0.00 H new ATOM 0 HG SER A 71 112.461 21.196 -26.663 1.00 0.00 H new ATOM 1157 N PRO A 72 117.263 20.686 -24.944 1.00 0.00 N ATOM 1158 CA PRO A 72 118.458 21.198 -24.218 1.00 0.00 C ATOM 1159 C PRO A 72 118.159 22.563 -23.588 1.00 0.00 C ATOM 1160 O PRO A 72 118.670 22.893 -22.534 1.00 0.00 O ATOM 1161 CB PRO A 72 119.530 21.320 -25.303 1.00 0.00 C ATOM 1162 CG PRO A 72 118.781 21.375 -26.597 1.00 0.00 C ATOM 1163 CD PRO A 72 117.492 20.625 -26.397 1.00 0.00 C ATOM 0 HA PRO A 72 118.767 20.546 -23.401 1.00 0.00 H new ATOM 0 HB2 PRO A 72 120.134 22.216 -25.160 1.00 0.00 H new ATOM 0 HB3 PRO A 72 120.212 20.470 -25.279 1.00 0.00 H new ATOM 0 HG2 PRO A 72 118.585 22.408 -26.884 1.00 0.00 H new ATOM 0 HG3 PRO A 72 119.366 20.927 -27.400 1.00 0.00 H new ATOM 0 HD2 PRO A 72 116.673 21.086 -26.949 1.00 0.00 H new ATOM 0 HD3 PRO A 72 117.572 19.595 -26.745 1.00 0.00 H new ATOM 1171 N SER A 73 117.335 23.356 -24.231 1.00 0.00 N ATOM 1172 CA SER A 73 116.995 24.706 -23.684 1.00 0.00 C ATOM 1173 C SER A 73 115.480 24.843 -23.516 1.00 0.00 C ATOM 1174 O SER A 73 114.711 24.262 -24.260 1.00 0.00 O ATOM 1175 CB SER A 73 117.511 25.696 -24.727 1.00 0.00 C ATOM 1176 OG SER A 73 118.907 25.502 -24.908 1.00 0.00 O ATOM 0 H SER A 73 116.882 23.124 -25.115 1.00 0.00 H new ATOM 0 HA SER A 73 117.439 24.878 -22.703 1.00 0.00 H new ATOM 0 HB2 SER A 73 116.987 25.553 -25.672 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.313 26.718 -24.404 1.00 0.00 H new ATOM 0 HG SER A 73 119.241 26.135 -25.578 1.00 0.00 H new ATOM 1182 N THR A 74 115.049 25.608 -22.542 1.00 0.00 N ATOM 1183 CA THR A 74 113.581 25.801 -22.319 1.00 0.00 C ATOM 1184 C THR A 74 113.270 27.282 -22.063 1.00 0.00 C ATOM 1185 O THR A 74 113.315 27.753 -20.942 1.00 0.00 O ATOM 1186 CB THR A 74 113.232 24.943 -21.088 1.00 0.00 C ATOM 1187 OG1 THR A 74 111.870 25.154 -20.744 1.00 0.00 O ATOM 1188 CG2 THR A 74 114.120 25.312 -19.888 1.00 0.00 C ATOM 0 H THR A 74 115.653 26.109 -21.890 1.00 0.00 H new ATOM 0 HA THR A 74 112.994 25.504 -23.188 1.00 0.00 H new ATOM 0 HB THR A 74 113.404 23.895 -21.336 1.00 0.00 H new ATOM 0 HG1 THR A 74 111.642 24.609 -19.962 1.00 0.00 H new ATOM 0 HG21 THR A 74 113.852 24.691 -19.033 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.166 25.145 -20.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 113.972 26.362 -19.635 1.00 0.00 H new ATOM 1196 N ASN A 75 112.955 28.015 -23.104 1.00 0.00 N ATOM 1197 CA ASN A 75 112.639 29.467 -22.942 1.00 0.00 C ATOM 1198 C ASN A 75 111.123 29.690 -22.985 1.00 0.00 C ATOM 1199 O ASN A 75 110.651 30.710 -23.455 1.00 0.00 O ATOM 1200 CB ASN A 75 113.318 30.154 -24.128 1.00 0.00 C ATOM 1201 CG ASN A 75 114.836 30.092 -23.955 1.00 0.00 C ATOM 1202 OD1 ASN A 75 115.368 29.095 -23.509 1.00 0.00 O ATOM 1203 ND2 ASN A 75 115.562 31.123 -24.290 1.00 0.00 N ATOM 0 H ASN A 75 112.903 27.668 -24.062 1.00 0.00 H new ATOM 0 HA ASN A 75 112.988 29.861 -21.988 1.00 0.00 H new ATOM 0 HB2 ASN A 75 113.028 29.667 -25.059 1.00 0.00 H new ATOM 0 HB3 ASN A 75 112.991 31.192 -24.196 1.00 0.00 H new ATOM 0 HD21 ASN A 75 116.575 31.091 -24.177 1.00 0.00 H new ATOM 0 HD22 ASN A 75 115.116 31.961 -24.665 1.00 0.00 H new ATOM 1210 N SER A 76 110.361 28.741 -22.495 1.00 0.00 N ATOM 1211 CA SER A 76 108.871 28.883 -22.505 1.00 0.00 C ATOM 1212 C SER A 76 108.396 29.537 -21.204 1.00 0.00 C ATOM 1213 O SER A 76 109.098 29.535 -20.209 1.00 0.00 O ATOM 1214 CB SER A 76 108.333 27.457 -22.617 1.00 0.00 C ATOM 1215 OG SER A 76 106.921 27.499 -22.771 1.00 0.00 O ATOM 0 H SER A 76 110.708 27.873 -22.088 1.00 0.00 H new ATOM 0 HA SER A 76 108.522 29.512 -23.324 1.00 0.00 H new ATOM 0 HB2 SER A 76 108.788 26.950 -23.468 1.00 0.00 H new ATOM 0 HB3 SER A 76 108.597 26.886 -21.727 1.00 0.00 H new ATOM 0 HG SER A 76 106.573 26.586 -22.845 1.00 0.00 H new ATOM 1221 N THR A 77 107.208 30.092 -21.207 1.00 0.00 N ATOM 1222 CA THR A 77 106.683 30.767 -19.976 1.00 0.00 C ATOM 1223 C THR A 77 106.396 29.728 -18.888 1.00 0.00 C ATOM 1224 O THR A 77 105.761 28.718 -19.135 1.00 0.00 O ATOM 1225 CB THR A 77 105.387 31.458 -20.410 1.00 0.00 C ATOM 1226 OG1 THR A 77 105.635 32.234 -21.576 1.00 0.00 O ATOM 1227 CG2 THR A 77 104.890 32.369 -19.286 1.00 0.00 C ATOM 0 H THR A 77 106.578 30.107 -22.009 1.00 0.00 H new ATOM 0 HA THR A 77 107.399 31.477 -19.563 1.00 0.00 H new ATOM 0 HB THR A 77 104.628 30.706 -20.626 1.00 0.00 H new ATOM 0 HG1 THR A 77 104.807 32.676 -21.857 1.00 0.00 H new ATOM 0 HG21 THR A 77 103.968 32.860 -19.597 1.00 0.00 H new ATOM 0 HG22 THR A 77 104.701 31.774 -18.392 1.00 0.00 H new ATOM 0 HG23 THR A 77 105.646 33.123 -19.067 1.00 0.00 H new ATOM 1235 N LYS A 78 106.864 29.971 -17.685 1.00 0.00 N ATOM 1236 CA LYS A 78 106.642 28.993 -16.569 1.00 0.00 C ATOM 1237 C LYS A 78 105.149 28.902 -16.230 1.00 0.00 C ATOM 1238 O LYS A 78 104.621 27.827 -16.011 1.00 0.00 O ATOM 1239 CB LYS A 78 107.430 29.549 -15.380 1.00 0.00 C ATOM 1240 CG LYS A 78 107.449 28.519 -14.249 1.00 0.00 C ATOM 1241 CD LYS A 78 108.422 27.391 -14.601 1.00 0.00 C ATOM 1242 CE LYS A 78 108.506 26.405 -13.434 1.00 0.00 C ATOM 1243 NZ LYS A 78 107.339 25.497 -13.613 1.00 0.00 N ATOM 0 H LYS A 78 107.391 30.805 -17.427 1.00 0.00 H new ATOM 0 HA LYS A 78 106.969 27.988 -16.836 1.00 0.00 H new ATOM 0 HB2 LYS A 78 108.449 29.787 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 78 106.976 30.477 -15.032 1.00 0.00 H new ATOM 0 HG2 LYS A 78 107.749 28.994 -13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 78 106.448 28.115 -14.094 1.00 0.00 H new ATOM 0 HD2 LYS A 78 108.088 26.877 -15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 78 109.409 27.802 -14.816 1.00 0.00 H new ATOM 0 HE2 LYS A 78 109.444 25.850 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 78 108.460 26.922 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 107.384 24.731 -12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 106.458 26.034 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 107.359 25.091 -14.570 1.00 0.00 H new ATOM 1257 N LEU A 79 104.471 30.024 -16.185 1.00 0.00 N ATOM 1258 CA LEU A 79 103.012 30.017 -15.860 1.00 0.00 C ATOM 1259 C LEU A 79 102.187 30.296 -17.120 1.00 0.00 C ATOM 1260 O LEU A 79 102.508 31.175 -17.898 1.00 0.00 O ATOM 1261 CB LEU A 79 102.827 31.139 -14.838 1.00 0.00 C ATOM 1262 CG LEU A 79 103.346 30.682 -13.473 1.00 0.00 C ATOM 1263 CD1 LEU A 79 104.866 30.850 -13.420 1.00 0.00 C ATOM 1264 CD2 LEU A 79 102.702 31.530 -12.374 1.00 0.00 C ATOM 0 H LEU A 79 104.868 30.947 -16.360 1.00 0.00 H new ATOM 0 HA LEU A 79 102.681 29.054 -15.471 1.00 0.00 H new ATOM 0 HB2 LEU A 79 103.363 32.031 -15.162 1.00 0.00 H new ATOM 0 HB3 LEU A 79 101.773 31.409 -14.766 1.00 0.00 H new ATOM 0 HG LEU A 79 103.092 29.633 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 79 105.234 30.524 -12.447 1.00 0.00 H new ATOM 0 HD12 LEU A 79 105.326 30.247 -14.203 1.00 0.00 H new ATOM 0 HD13 LEU A 79 105.122 31.899 -13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 79 103.071 31.206 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 79 102.957 32.579 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 79 101.619 31.411 -12.410 1.00 0.00 H new ATOM 1276 N LYS A 80 101.125 29.552 -17.320 1.00 0.00 N ATOM 1277 CA LYS A 80 100.254 29.777 -18.514 1.00 0.00 C ATOM 1278 C LYS A 80 98.878 30.288 -18.076 1.00 0.00 C ATOM 1279 O LYS A 80 98.254 29.729 -17.194 1.00 0.00 O ATOM 1280 CB LYS A 80 100.129 28.405 -19.181 1.00 0.00 C ATOM 1281 CG LYS A 80 101.489 27.981 -19.741 1.00 0.00 C ATOM 1282 CD LYS A 80 101.338 26.663 -20.502 1.00 0.00 C ATOM 1283 CE LYS A 80 102.714 26.179 -20.965 1.00 0.00 C ATOM 1284 NZ LYS A 80 102.972 26.913 -22.235 1.00 0.00 N ATOM 0 H LYS A 80 100.824 28.796 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 80 100.669 30.522 -19.192 1.00 0.00 H new ATOM 0 HB2 LYS A 80 99.776 27.669 -18.459 1.00 0.00 H new ATOM 0 HB3 LYS A 80 99.391 28.445 -19.982 1.00 0.00 H new ATOM 0 HG2 LYS A 80 101.878 28.754 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 80 102.208 27.865 -18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 80 100.873 25.913 -19.862 1.00 0.00 H new ATOM 0 HD3 LYS A 80 100.681 26.800 -21.361 1.00 0.00 H new ATOM 0 HE2 LYS A 80 103.480 26.396 -20.221 1.00 0.00 H new ATOM 0 HE3 LYS A 80 102.721 25.101 -21.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 103.867 26.585 -22.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 102.195 26.735 -22.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 103.034 27.933 -22.040 1.00 0.00 H new ATOM 1298 N SER A 81 98.407 31.348 -18.688 1.00 0.00 N ATOM 1299 CA SER A 81 97.068 31.909 -18.311 1.00 0.00 C ATOM 1300 C SER A 81 95.951 30.939 -18.717 1.00 0.00 C ATOM 1301 O SER A 81 94.926 30.858 -18.064 1.00 0.00 O ATOM 1302 CB SER A 81 96.943 33.222 -19.087 1.00 0.00 C ATOM 1303 OG SER A 81 96.853 32.940 -20.477 1.00 0.00 O ATOM 0 H SER A 81 98.891 31.850 -19.433 1.00 0.00 H new ATOM 0 HA SER A 81 96.981 32.065 -17.236 1.00 0.00 H new ATOM 0 HB2 SER A 81 96.060 33.770 -18.758 1.00 0.00 H new ATOM 0 HB3 SER A 81 97.805 33.858 -18.889 1.00 0.00 H new ATOM 0 HG SER A 81 96.771 33.779 -20.976 1.00 0.00 H new ATOM 1309 N ALA A 82 96.144 30.209 -19.790 1.00 0.00 N ATOM 1310 CA ALA A 82 95.091 29.248 -20.252 1.00 0.00 C ATOM 1311 C ALA A 82 94.942 28.097 -19.251 1.00 0.00 C ATOM 1312 O ALA A 82 93.860 27.577 -19.050 1.00 0.00 O ATOM 1313 CB ALA A 82 95.584 28.719 -21.602 1.00 0.00 C ATOM 0 H ALA A 82 96.985 30.237 -20.366 1.00 0.00 H new ATOM 0 HA ALA A 82 94.115 29.727 -20.336 1.00 0.00 H new ATOM 0 HB1 ALA A 82 94.860 28.008 -22.000 1.00 0.00 H new ATOM 0 HB2 ALA A 82 95.698 29.550 -22.299 1.00 0.00 H new ATOM 0 HB3 ALA A 82 96.545 28.222 -21.469 1.00 0.00 H new ATOM 1319 N GLU A 83 96.028 27.697 -18.620 1.00 0.00 N ATOM 1320 CA GLU A 83 95.987 26.562 -17.633 1.00 0.00 C ATOM 1321 C GLU A 83 95.318 25.322 -18.245 1.00 0.00 C ATOM 1322 O GLU A 83 94.110 25.180 -18.213 1.00 0.00 O ATOM 1323 CB GLU A 83 95.173 27.079 -16.441 1.00 0.00 C ATOM 1324 CG GLU A 83 95.933 28.218 -15.757 1.00 0.00 C ATOM 1325 CD GLU A 83 95.159 28.688 -14.521 1.00 0.00 C ATOM 1326 OE1 GLU A 83 94.647 27.839 -13.808 1.00 0.00 O ATOM 1327 OE2 GLU A 83 95.092 29.886 -14.309 1.00 0.00 O ATOM 0 H GLU A 83 96.950 28.113 -18.749 1.00 0.00 H new ATOM 0 HA GLU A 83 96.991 26.258 -17.337 1.00 0.00 H new ATOM 0 HB2 GLU A 83 94.198 27.430 -16.778 1.00 0.00 H new ATOM 0 HB3 GLU A 83 94.993 26.271 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 83 96.929 27.881 -15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 83 96.066 29.048 -16.451 1.00 0.00 H new ATOM 1334 N THR A 84 96.103 24.429 -18.801 1.00 0.00 N ATOM 1335 CA THR A 84 95.524 23.201 -19.440 1.00 0.00 C ATOM 1336 C THR A 84 94.886 22.299 -18.379 1.00 0.00 C ATOM 1337 O THR A 84 93.856 21.694 -18.609 1.00 0.00 O ATOM 1338 CB THR A 84 96.708 22.491 -20.105 1.00 0.00 C ATOM 1339 OG1 THR A 84 97.422 23.420 -20.910 1.00 0.00 O ATOM 1340 CG2 THR A 84 96.195 21.346 -20.980 1.00 0.00 C ATOM 0 H THR A 84 97.120 24.497 -18.840 1.00 0.00 H new ATOM 0 HA THR A 84 94.744 23.447 -20.160 1.00 0.00 H new ATOM 0 HB THR A 84 97.369 22.089 -19.337 1.00 0.00 H new ATOM 0 HG1 THR A 84 98.181 22.969 -21.335 1.00 0.00 H new ATOM 0 HG21 THR A 84 97.039 20.843 -21.452 1.00 0.00 H new ATOM 0 HG22 THR A 84 95.647 20.634 -20.363 1.00 0.00 H new ATOM 0 HG23 THR A 84 95.534 21.744 -21.749 1.00 0.00 H new ATOM 1348 N TYR A 85 95.493 22.209 -17.220 1.00 0.00 N ATOM 1349 CA TYR A 85 94.945 21.330 -16.141 1.00 0.00 C ATOM 1350 C TYR A 85 94.533 22.170 -14.929 1.00 0.00 C ATOM 1351 O TYR A 85 95.269 23.032 -14.484 1.00 0.00 O ATOM 1352 CB TYR A 85 96.094 20.390 -15.776 1.00 0.00 C ATOM 1353 CG TYR A 85 95.712 19.334 -14.766 1.00 0.00 C ATOM 1354 CD1 TYR A 85 95.104 18.129 -15.197 1.00 0.00 C ATOM 1355 CD2 TYR A 85 95.959 19.548 -13.388 1.00 0.00 C ATOM 1356 CE1 TYR A 85 94.745 17.139 -14.250 1.00 0.00 C ATOM 1357 CE2 TYR A 85 95.600 18.558 -12.441 1.00 0.00 C ATOM 1358 CZ TYR A 85 94.993 17.353 -12.872 1.00 0.00 C ATOM 1359 OH TYR A 85 94.644 16.389 -11.950 1.00 0.00 O ATOM 0 H TYR A 85 96.348 22.709 -16.975 1.00 0.00 H new ATOM 0 HA TYR A 85 94.058 20.785 -16.464 1.00 0.00 H new ATOM 0 HB2 TYR A 85 96.455 19.902 -16.681 1.00 0.00 H new ATOM 0 HB3 TYR A 85 96.922 20.978 -15.379 1.00 0.00 H new ATOM 0 HD1 TYR A 85 94.914 17.965 -16.248 1.00 0.00 H new ATOM 0 HD2 TYR A 85 96.421 20.467 -13.059 1.00 0.00 H new ATOM 0 HE1 TYR A 85 94.282 16.220 -14.579 1.00 0.00 H new ATOM 0 HE2 TYR A 85 95.789 18.722 -11.390 1.00 0.00 H new ATOM 0 HH TYR A 85 94.884 16.695 -11.050 1.00 0.00 H new ATOM 1369 N SER A 86 93.362 21.921 -14.395 1.00 0.00 N ATOM 1370 CA SER A 86 92.891 22.687 -13.200 1.00 0.00 C ATOM 1371 C SER A 86 92.573 21.727 -12.049 1.00 0.00 C ATOM 1372 O SER A 86 92.161 20.602 -12.268 1.00 0.00 O ATOM 1373 CB SER A 86 91.626 23.406 -13.663 1.00 0.00 C ATOM 1374 OG SER A 86 91.938 24.238 -14.772 1.00 0.00 O ATOM 0 H SER A 86 92.709 21.216 -14.738 1.00 0.00 H new ATOM 0 HA SER A 86 93.644 23.385 -12.833 1.00 0.00 H new ATOM 0 HB2 SER A 86 90.863 22.680 -13.942 1.00 0.00 H new ATOM 0 HB3 SER A 86 91.215 24.004 -12.849 1.00 0.00 H new ATOM 0 HG SER A 86 91.128 24.700 -15.073 1.00 0.00 H new ATOM 1380 N SER A 87 92.762 22.166 -10.828 1.00 0.00 N ATOM 1381 CA SER A 87 92.479 21.286 -9.652 1.00 0.00 C ATOM 1382 C SER A 87 91.369 21.895 -8.791 1.00 0.00 C ATOM 1383 O SER A 87 91.309 23.095 -8.599 1.00 0.00 O ATOM 1384 CB SER A 87 93.792 21.233 -8.874 1.00 0.00 C ATOM 1385 OG SER A 87 93.661 20.321 -7.792 1.00 0.00 O ATOM 0 H SER A 87 93.101 23.099 -10.595 1.00 0.00 H new ATOM 0 HA SER A 87 92.141 20.294 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 87 94.605 20.922 -9.530 1.00 0.00 H new ATOM 0 HB3 SER A 87 94.047 22.225 -8.500 1.00 0.00 H new ATOM 0 HG SER A 87 94.503 20.284 -7.292 1.00 0.00 H new ATOM 1391 N LYS A 88 90.487 21.067 -8.266 1.00 0.00 N ATOM 1392 CA LYS A 88 89.362 21.567 -7.402 1.00 0.00 C ATOM 1393 C LYS A 88 88.572 22.677 -8.115 1.00 0.00 C ATOM 1394 O LYS A 88 88.823 23.853 -7.922 1.00 0.00 O ATOM 1395 CB LYS A 88 90.028 22.105 -6.128 1.00 0.00 C ATOM 1396 CG LYS A 88 88.956 22.418 -5.082 1.00 0.00 C ATOM 1397 CD LYS A 88 89.616 23.010 -3.836 1.00 0.00 C ATOM 1398 CE LYS A 88 88.565 23.189 -2.738 1.00 0.00 C ATOM 1399 NZ LYS A 88 88.424 21.842 -2.117 1.00 0.00 N ATOM 0 H LYS A 88 90.500 20.056 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 88 88.647 20.775 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 88 90.731 21.370 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 88 90.601 23.004 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 88 88.229 23.120 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 88 88.411 21.511 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 88 90.413 22.354 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 88 90.074 23.970 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.882 23.930 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.617 23.534 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.416 21.623 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.857 21.127 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.901 21.834 -1.193 1.00 0.00 H new ATOM 1413 N ASN A 89 87.622 22.303 -8.938 1.00 0.00 N ATOM 1414 CA ASN A 89 86.804 23.322 -9.666 1.00 0.00 C ATOM 1415 C ASN A 89 85.553 23.671 -8.853 1.00 0.00 C ATOM 1416 O ASN A 89 85.394 24.790 -8.398 1.00 0.00 O ATOM 1417 CB ASN A 89 86.418 22.659 -10.991 1.00 0.00 C ATOM 1418 CG ASN A 89 87.672 22.438 -11.840 1.00 0.00 C ATOM 1419 OD1 ASN A 89 87.922 21.343 -12.302 1.00 0.00 O ATOM 1420 ND2 ASN A 89 88.477 23.441 -12.067 1.00 0.00 N ATOM 0 H ASN A 89 87.378 21.333 -9.137 1.00 0.00 H new ATOM 0 HA ASN A 89 87.351 24.251 -9.825 1.00 0.00 H new ATOM 0 HB2 ASN A 89 85.922 21.707 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 89 85.708 23.286 -11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 89 89.315 23.304 -12.632 1.00 0.00 H new ATOM 0 HD22 ASN A 89 88.268 24.361 -11.679 1.00 0.00 H new ATOM 1427 N LYS A 90 84.666 22.721 -8.671 1.00 0.00 N ATOM 1428 CA LYS A 90 83.419 22.984 -7.887 1.00 0.00 C ATOM 1429 C LYS A 90 83.369 22.076 -6.655 1.00 0.00 C ATOM 1430 O LYS A 90 83.851 20.958 -6.680 1.00 0.00 O ATOM 1431 CB LYS A 90 82.272 22.654 -8.843 1.00 0.00 C ATOM 1432 CG LYS A 90 82.258 23.660 -9.997 1.00 0.00 C ATOM 1433 CD LYS A 90 81.042 23.397 -10.889 1.00 0.00 C ATOM 1434 CE LYS A 90 81.093 24.322 -12.106 1.00 0.00 C ATOM 1435 NZ LYS A 90 82.006 23.645 -13.067 1.00 0.00 N ATOM 0 H LYS A 90 84.754 21.772 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 90 83.366 24.012 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 90 82.389 21.642 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 90 81.322 22.683 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 90 82.223 24.677 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 90 83.175 23.574 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 90 81.032 22.356 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 90 80.123 23.566 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 90 80.101 24.463 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 90 81.467 25.310 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 82.624 24.351 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 82.588 22.948 -12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 81.445 23.162 -13.798 1.00 0.00 H new ATOM 1449 N TRP A 91 82.789 22.553 -5.580 1.00 0.00 N ATOM 1450 CA TRP A 91 82.696 21.724 -4.338 1.00 0.00 C ATOM 1451 C TRP A 91 81.303 21.095 -4.217 1.00 0.00 C ATOM 1452 O TRP A 91 80.798 20.897 -3.127 1.00 0.00 O ATOM 1453 CB TRP A 91 82.958 22.698 -3.182 1.00 0.00 C ATOM 1454 CG TRP A 91 81.982 23.832 -3.107 1.00 0.00 C ATOM 1455 CD1 TRP A 91 80.805 23.801 -2.437 1.00 0.00 C ATOM 1456 CD2 TRP A 91 82.078 25.157 -3.707 1.00 0.00 C ATOM 1457 NE1 TRP A 91 80.167 25.022 -2.587 1.00 0.00 N ATOM 1458 CE2 TRP A 91 80.906 25.895 -3.358 1.00 0.00 C ATOM 1459 CE3 TRP A 91 83.059 25.793 -4.517 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 80.712 27.221 -3.798 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 82.868 27.128 -4.961 1.00 0.00 C ATOM 1462 CH2 TRP A 91 81.696 27.841 -4.602 1.00 0.00 C ATOM 0 H TRP A 91 82.375 23.483 -5.510 1.00 0.00 H new ATOM 0 HA TRP A 91 83.410 20.901 -4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 91 82.931 22.146 -2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 91 83.964 23.104 -3.284 1.00 0.00 H new ATOM 0 HD1 TRP A 91 80.425 22.960 -1.876 1.00 0.00 H new ATOM 0 HE1 TRP A 91 79.261 25.248 -2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 91 83.954 25.257 -4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 79.817 27.759 -3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 83.619 27.603 -5.575 1.00 0.00 H new ATOM 0 HH2 TRP A 91 81.555 28.856 -4.942 1.00 0.00 H new ATOM 1473 N SER A 92 80.682 20.782 -5.330 1.00 0.00 N ATOM 1474 CA SER A 92 79.320 20.167 -5.294 1.00 0.00 C ATOM 1475 C SER A 92 79.331 18.817 -6.017 1.00 0.00 C ATOM 1476 O SER A 92 80.094 18.608 -6.941 1.00 0.00 O ATOM 1477 CB SER A 92 78.419 21.159 -6.028 1.00 0.00 C ATOM 1478 OG SER A 92 78.480 22.420 -5.374 1.00 0.00 O ATOM 0 H SER A 92 81.063 20.927 -6.265 1.00 0.00 H new ATOM 0 HA SER A 92 78.977 19.980 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 92 78.737 21.259 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 92 77.392 20.793 -6.043 1.00 0.00 H new ATOM 0 HG SER A 92 77.905 23.060 -5.843 1.00 0.00 H new ATOM 1484 N MET A 93 78.488 17.903 -5.599 1.00 0.00 N ATOM 1485 CA MET A 93 78.440 16.560 -6.255 1.00 0.00 C ATOM 1486 C MET A 93 77.378 16.550 -7.359 1.00 0.00 C ATOM 1487 O MET A 93 76.200 16.713 -7.097 1.00 0.00 O ATOM 1488 CB MET A 93 78.064 15.583 -5.139 1.00 0.00 C ATOM 1489 CG MET A 93 78.219 14.147 -5.643 1.00 0.00 C ATOM 1490 SD MET A 93 77.584 12.999 -4.396 1.00 0.00 S ATOM 1491 CE MET A 93 78.773 13.398 -3.093 1.00 0.00 C ATOM 0 H MET A 93 77.830 18.031 -4.830 1.00 0.00 H new ATOM 0 HA MET A 93 79.388 16.295 -6.723 1.00 0.00 H new ATOM 0 HB2 MET A 93 78.701 15.745 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 93 77.037 15.758 -4.819 1.00 0.00 H new ATOM 0 HG2 MET A 93 77.678 14.019 -6.580 1.00 0.00 H new ATOM 0 HG3 MET A 93 79.268 13.934 -5.849 1.00 0.00 H new ATOM 0 HE1 MET A 93 78.859 12.555 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 93 79.746 13.604 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 93 78.432 14.277 -2.546 1.00 0.00 H new ATOM 1501 N ASP A 94 77.790 16.361 -8.589 1.00 0.00 N ATOM 1502 CA ASP A 94 76.816 16.339 -9.722 1.00 0.00 C ATOM 1503 C ASP A 94 76.586 14.900 -10.193 1.00 0.00 C ATOM 1504 O ASP A 94 77.422 14.037 -10.003 1.00 0.00 O ATOM 1505 CB ASP A 94 77.472 17.168 -10.829 1.00 0.00 C ATOM 1506 CG ASP A 94 77.568 18.632 -10.390 1.00 0.00 C ATOM 1507 OD1 ASP A 94 76.609 19.125 -9.819 1.00 0.00 O ATOM 1508 OD2 ASP A 94 78.600 19.235 -10.634 1.00 0.00 O ATOM 0 H ASP A 94 78.764 16.220 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 94 75.843 16.740 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 94 78.466 16.778 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 94 76.890 17.091 -11.747 1.00 0.00 H new ATOM 1513 N CYS A 95 75.456 14.642 -10.807 1.00 0.00 N ATOM 1514 CA CYS A 95 75.160 13.263 -11.303 1.00 0.00 C ATOM 1515 C CYS A 95 75.254 13.220 -12.831 1.00 0.00 C ATOM 1516 O CYS A 95 74.637 14.012 -13.519 1.00 0.00 O ATOM 1517 CB CYS A 95 73.730 12.977 -10.845 1.00 0.00 C ATOM 1518 SG CYS A 95 73.359 11.221 -11.085 1.00 0.00 S ATOM 0 H CYS A 95 74.725 15.330 -10.986 1.00 0.00 H new ATOM 0 HA CYS A 95 75.865 12.525 -10.921 1.00 0.00 H new ATOM 0 HB2 CYS A 95 73.613 13.244 -9.795 1.00 0.00 H new ATOM 0 HB3 CYS A 95 73.027 13.589 -11.410 1.00 0.00 H new ATOM 0 HG CYS A 95 72.144 10.977 -10.693 1.00 0.00 H new ATOM 1524 N ASP A 96 76.021 12.299 -13.361 1.00 0.00 N ATOM 1525 CA ASP A 96 76.169 12.198 -14.847 1.00 0.00 C ATOM 1526 C ASP A 96 75.076 11.293 -15.425 1.00 0.00 C ATOM 1527 O ASP A 96 74.989 10.125 -15.095 1.00 0.00 O ATOM 1528 CB ASP A 96 77.552 11.581 -15.071 1.00 0.00 C ATOM 1529 CG ASP A 96 77.903 11.634 -16.561 1.00 0.00 C ATOM 1530 OD1 ASP A 96 77.667 12.664 -17.170 1.00 0.00 O ATOM 1531 OD2 ASP A 96 78.403 10.642 -17.066 1.00 0.00 O ATOM 0 H ASP A 96 76.552 11.611 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 96 76.074 13.167 -15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 96 78.301 12.121 -14.491 1.00 0.00 H new ATOM 0 HB3 ASP A 96 77.562 10.549 -14.721 1.00 0.00 H new ATOM 1536 N GLU A 97 74.245 11.830 -16.286 1.00 0.00 N ATOM 1537 CA GLU A 97 73.152 11.012 -16.896 1.00 0.00 C ATOM 1538 C GLU A 97 73.489 10.680 -18.352 1.00 0.00 C ATOM 1539 O GLU A 97 74.063 11.483 -19.060 1.00 0.00 O ATOM 1540 CB GLU A 97 71.904 11.895 -16.823 1.00 0.00 C ATOM 1541 CG GLU A 97 71.507 12.107 -15.360 1.00 0.00 C ATOM 1542 CD GLU A 97 70.215 12.921 -15.293 1.00 0.00 C ATOM 1543 OE1 GLU A 97 69.181 12.332 -15.023 1.00 0.00 O ATOM 1544 OE2 GLU A 97 70.280 14.119 -15.513 1.00 0.00 O ATOM 0 H GLU A 97 74.278 12.802 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 97 73.010 10.064 -16.378 1.00 0.00 H new ATOM 0 HB2 GLU A 97 72.098 12.856 -17.300 1.00 0.00 H new ATOM 0 HB3 GLU A 97 71.084 11.428 -17.368 1.00 0.00 H new ATOM 0 HG2 GLU A 97 71.369 11.145 -14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 97 72.304 12.626 -14.828 1.00 0.00 H new ATOM 1551 N GLU A 98 73.127 9.494 -18.799 1.00 0.00 N ATOM 1552 CA GLU A 98 73.444 9.047 -20.202 1.00 0.00 C ATOM 1553 C GLU A 98 74.959 9.055 -20.455 1.00 0.00 C ATOM 1554 O GLU A 98 75.704 9.762 -19.804 1.00 0.00 O ATOM 1555 CB GLU A 98 72.735 10.037 -21.136 1.00 0.00 C ATOM 1556 CG GLU A 98 72.744 9.488 -22.564 1.00 0.00 C ATOM 1557 CD GLU A 98 72.142 10.523 -23.517 1.00 0.00 C ATOM 1558 OE1 GLU A 98 72.700 10.711 -24.585 1.00 0.00 O ATOM 1559 OE2 GLU A 98 71.131 11.110 -23.164 1.00 0.00 O ATOM 0 H GLU A 98 72.618 8.807 -18.243 1.00 0.00 H new ATOM 0 HA GLU A 98 73.105 8.025 -20.373 1.00 0.00 H new ATOM 0 HB2 GLU A 98 71.709 10.197 -20.803 1.00 0.00 H new ATOM 0 HB3 GLU A 98 73.235 11.005 -21.104 1.00 0.00 H new ATOM 0 HG2 GLU A 98 73.764 9.251 -22.866 1.00 0.00 H new ATOM 0 HG3 GLU A 98 72.173 8.560 -22.611 1.00 0.00 H new ATOM 1566 N PHE A 99 75.412 8.265 -21.399 1.00 0.00 N ATOM 1567 CA PHE A 99 76.874 8.220 -21.714 1.00 0.00 C ATOM 1568 C PHE A 99 77.210 9.233 -22.812 1.00 0.00 C ATOM 1569 O PHE A 99 78.235 9.889 -22.770 1.00 0.00 O ATOM 1570 CB PHE A 99 77.136 6.795 -22.201 1.00 0.00 C ATOM 1571 CG PHE A 99 76.872 5.741 -21.152 1.00 0.00 C ATOM 1572 CD1 PHE A 99 77.877 5.411 -20.210 1.00 0.00 C ATOM 1573 CD2 PHE A 99 75.617 5.084 -21.109 1.00 0.00 C ATOM 1574 CE1 PHE A 99 77.628 4.423 -19.226 1.00 0.00 C ATOM 1575 CE2 PHE A 99 75.369 4.096 -20.124 1.00 0.00 C ATOM 1576 CZ PHE A 99 76.375 3.766 -19.183 1.00 0.00 C ATOM 0 H PHE A 99 74.830 7.648 -21.966 1.00 0.00 H new ATOM 0 HA PHE A 99 77.488 8.472 -20.850 1.00 0.00 H new ATOM 0 HB2 PHE A 99 76.509 6.596 -23.070 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.172 6.717 -22.530 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.833 5.913 -20.242 1.00 0.00 H new ATOM 0 HD2 PHE A 99 74.850 5.336 -21.826 1.00 0.00 H new ATOM 0 HE1 PHE A 99 78.395 4.171 -18.508 1.00 0.00 H new ATOM 0 HE2 PHE A 99 74.413 3.595 -20.091 1.00 0.00 H new ATOM 0 HZ PHE A 99 76.186 3.013 -18.432 1.00 0.00 H new ATOM 1586 N ASP A 100 76.350 9.362 -23.795 1.00 0.00 N ATOM 1587 CA ASP A 100 76.616 10.315 -24.917 1.00 0.00 C ATOM 1588 C ASP A 100 76.102 11.713 -24.558 1.00 0.00 C ATOM 1589 O ASP A 100 75.002 11.866 -24.058 1.00 0.00 O ATOM 1590 CB ASP A 100 75.848 9.751 -26.115 1.00 0.00 C ATOM 1591 CG ASP A 100 76.229 10.524 -27.379 1.00 0.00 C ATOM 1592 OD1 ASP A 100 77.239 10.185 -27.975 1.00 0.00 O ATOM 1593 OD2 ASP A 100 75.505 11.440 -27.731 1.00 0.00 O ATOM 0 H ASP A 100 75.473 8.846 -23.867 1.00 0.00 H new ATOM 0 HA ASP A 100 77.681 10.413 -25.129 1.00 0.00 H new ATOM 0 HB2 ASP A 100 76.077 8.693 -26.241 1.00 0.00 H new ATOM 0 HB3 ASP A 100 74.775 9.826 -25.940 1.00 0.00 H new ATOM 1598 N PHE A 101 76.892 12.728 -24.811 1.00 0.00 N ATOM 1599 CA PHE A 101 76.460 14.125 -24.496 1.00 0.00 C ATOM 1600 C PHE A 101 76.489 14.986 -25.764 1.00 0.00 C ATOM 1601 O PHE A 101 77.127 14.641 -26.742 1.00 0.00 O ATOM 1602 CB PHE A 101 77.476 14.638 -23.469 1.00 0.00 C ATOM 1603 CG PHE A 101 78.906 14.632 -23.961 1.00 0.00 C ATOM 1604 CD1 PHE A 101 79.447 15.783 -24.582 1.00 0.00 C ATOM 1605 CD2 PHE A 101 79.705 13.473 -23.799 1.00 0.00 C ATOM 1606 CE1 PHE A 101 80.786 15.778 -25.042 1.00 0.00 C ATOM 1607 CE2 PHE A 101 81.045 13.467 -24.260 1.00 0.00 C ATOM 1608 CZ PHE A 101 81.585 14.620 -24.882 1.00 0.00 C ATOM 0 H PHE A 101 77.821 12.648 -25.224 1.00 0.00 H new ATOM 0 HA PHE A 101 75.441 14.165 -24.110 1.00 0.00 H new ATOM 0 HB2 PHE A 101 77.206 15.654 -23.182 1.00 0.00 H new ATOM 0 HB3 PHE A 101 77.409 14.025 -22.570 1.00 0.00 H new ATOM 0 HD1 PHE A 101 78.838 16.666 -24.705 1.00 0.00 H new ATOM 0 HD2 PHE A 101 79.293 12.595 -23.324 1.00 0.00 H new ATOM 0 HE1 PHE A 101 81.198 16.657 -25.515 1.00 0.00 H new ATOM 0 HE2 PHE A 101 81.654 12.584 -24.137 1.00 0.00 H new ATOM 0 HZ PHE A 101 82.606 14.616 -25.234 1.00 0.00 H new ATOM 1618 N ALA A 102 75.799 16.101 -25.751 1.00 0.00 N ATOM 1619 CA ALA A 102 75.755 16.980 -26.959 1.00 0.00 C ATOM 1620 C ALA A 102 76.688 18.182 -26.778 1.00 0.00 C ATOM 1621 O ALA A 102 76.826 18.709 -25.689 1.00 0.00 O ATOM 1622 CB ALA A 102 74.301 17.441 -27.060 1.00 0.00 C ATOM 0 H ALA A 102 75.263 16.440 -24.952 1.00 0.00 H new ATOM 0 HA ALA A 102 76.082 16.459 -27.859 1.00 0.00 H new ATOM 0 HB1 ALA A 102 74.185 18.093 -27.926 1.00 0.00 H new ATOM 0 HB2 ALA A 102 73.651 16.573 -27.170 1.00 0.00 H new ATOM 0 HB3 ALA A 102 74.028 17.986 -26.156 1.00 0.00 H new ATOM 1628 N ALA A 103 77.325 18.613 -27.839 1.00 0.00 N ATOM 1629 CA ALA A 103 78.242 19.790 -27.749 1.00 0.00 C ATOM 1630 C ALA A 103 78.212 20.583 -29.058 1.00 0.00 C ATOM 1631 O ALA A 103 77.923 20.044 -30.111 1.00 0.00 O ATOM 1632 CB ALA A 103 79.630 19.194 -27.515 1.00 0.00 C ATOM 0 H ALA A 103 77.248 18.198 -28.767 1.00 0.00 H new ATOM 0 HA ALA A 103 77.955 20.478 -26.954 1.00 0.00 H new ATOM 0 HB1 ALA A 103 80.363 19.997 -27.437 1.00 0.00 H new ATOM 0 HB2 ALA A 103 79.627 18.616 -26.591 1.00 0.00 H new ATOM 0 HB3 ALA A 103 79.892 18.543 -28.349 1.00 0.00 H new ATOM 1638 N ASN A 104 78.507 21.860 -28.997 1.00 0.00 N ATOM 1639 CA ASN A 104 78.494 22.704 -30.235 1.00 0.00 C ATOM 1640 C ASN A 104 79.907 23.212 -30.557 1.00 0.00 C ATOM 1641 O ASN A 104 80.074 24.271 -31.132 1.00 0.00 O ATOM 1642 CB ASN A 104 77.546 23.874 -29.920 1.00 0.00 C ATOM 1643 CG ASN A 104 78.057 24.674 -28.713 1.00 0.00 C ATOM 1644 OD1 ASN A 104 78.262 24.127 -27.648 1.00 0.00 O ATOM 1645 ND2 ASN A 104 78.271 25.955 -28.839 1.00 0.00 N ATOM 0 H ASN A 104 78.757 22.355 -28.141 1.00 0.00 H new ATOM 0 HA ASN A 104 78.162 22.143 -31.108 1.00 0.00 H new ATOM 0 HB2 ASN A 104 77.465 24.528 -30.789 1.00 0.00 H new ATOM 0 HB3 ASN A 104 76.546 23.493 -29.714 1.00 0.00 H new ATOM 0 HD21 ASN A 104 78.610 26.496 -28.044 1.00 0.00 H new ATOM 0 HD22 ASN A 104 78.099 26.415 -29.733 1.00 0.00 H new ATOM 1652 N LEU A 105 80.919 22.461 -30.191 1.00 0.00 N ATOM 1653 CA LEU A 105 82.324 22.889 -30.478 1.00 0.00 C ATOM 1654 C LEU A 105 82.925 22.019 -31.586 1.00 0.00 C ATOM 1655 O LEU A 105 82.737 20.817 -31.611 1.00 0.00 O ATOM 1656 CB LEU A 105 83.083 22.683 -29.164 1.00 0.00 C ATOM 1657 CG LEU A 105 82.533 23.630 -28.094 1.00 0.00 C ATOM 1658 CD1 LEU A 105 83.097 23.238 -26.727 1.00 0.00 C ATOM 1659 CD2 LEU A 105 82.949 25.067 -28.420 1.00 0.00 C ATOM 0 H LEU A 105 80.831 21.569 -29.705 1.00 0.00 H new ATOM 0 HA LEU A 105 82.377 23.923 -30.819 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.983 21.649 -28.834 1.00 0.00 H new ATOM 0 HB3 LEU A 105 84.147 22.868 -29.315 1.00 0.00 H new ATOM 0 HG LEU A 105 81.445 23.561 -28.074 1.00 0.00 H new ATOM 0 HD11 LEU A 105 82.706 23.912 -25.965 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.803 22.215 -26.492 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.185 23.307 -26.749 1.00 0.00 H new ATOM 0 HD21 LEU A 105 82.557 25.741 -27.658 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.037 25.135 -28.440 1.00 0.00 H new ATOM 0 HD23 LEU A 105 82.550 25.349 -29.394 1.00 0.00 H new ATOM 1671 N GLU A 106 83.645 22.622 -32.501 1.00 0.00 N ATOM 1672 CA GLU A 106 84.268 21.840 -33.612 1.00 0.00 C ATOM 1673 C GLU A 106 85.474 22.596 -34.179 1.00 0.00 C ATOM 1674 O GLU A 106 86.591 22.113 -34.140 1.00 0.00 O ATOM 1675 CB GLU A 106 83.169 21.709 -34.669 1.00 0.00 C ATOM 1676 CG GLU A 106 83.625 20.748 -35.769 1.00 0.00 C ATOM 1677 CD GLU A 106 82.584 20.718 -36.890 1.00 0.00 C ATOM 1678 OE1 GLU A 106 82.288 19.634 -37.367 1.00 0.00 O ATOM 1679 OE2 GLU A 106 82.100 21.777 -37.255 1.00 0.00 O ATOM 0 H GLU A 106 83.828 23.625 -32.525 1.00 0.00 H new ATOM 0 HA GLU A 106 84.631 20.867 -33.280 1.00 0.00 H new ATOM 0 HB2 GLU A 106 82.251 21.342 -34.210 1.00 0.00 H new ATOM 0 HB3 GLU A 106 82.944 22.686 -35.096 1.00 0.00 H new ATOM 0 HG2 GLU A 106 84.590 21.064 -36.164 1.00 0.00 H new ATOM 0 HG3 GLU A 106 83.761 19.747 -35.358 1.00 0.00 H new ATOM 1686 N LYS A 107 85.254 23.783 -34.705 1.00 0.00 N ATOM 1687 CA LYS A 107 86.374 24.602 -35.291 1.00 0.00 C ATOM 1688 C LYS A 107 87.168 23.786 -36.322 1.00 0.00 C ATOM 1689 O LYS A 107 88.368 23.947 -36.461 1.00 0.00 O ATOM 1690 CB LYS A 107 87.267 24.992 -34.106 1.00 0.00 C ATOM 1691 CG LYS A 107 86.492 25.913 -33.160 1.00 0.00 C ATOM 1692 CD LYS A 107 87.417 26.392 -32.040 1.00 0.00 C ATOM 1693 CE LYS A 107 86.613 27.207 -31.026 1.00 0.00 C ATOM 1694 NZ LYS A 107 85.954 26.197 -30.155 1.00 0.00 N ATOM 0 H LYS A 107 84.336 24.225 -34.754 1.00 0.00 H new ATOM 0 HA LYS A 107 85.994 25.479 -35.815 1.00 0.00 H new ATOM 0 HB2 LYS A 107 87.593 24.098 -33.574 1.00 0.00 H new ATOM 0 HB3 LYS A 107 88.165 25.495 -34.465 1.00 0.00 H new ATOM 0 HG2 LYS A 107 86.097 26.767 -33.710 1.00 0.00 H new ATOM 0 HG3 LYS A 107 85.638 25.383 -32.739 1.00 0.00 H new ATOM 0 HD2 LYS A 107 87.882 25.538 -31.548 1.00 0.00 H new ATOM 0 HD3 LYS A 107 88.222 26.999 -32.454 1.00 0.00 H new ATOM 0 HE2 LYS A 107 87.260 27.865 -30.447 1.00 0.00 H new ATOM 0 HE3 LYS A 107 85.877 27.840 -31.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 84.958 26.460 -30.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 86.003 25.262 -30.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 86.439 26.161 -29.236 1.00 0.00 H new ATOM 1708 N PHE A 108 86.502 22.915 -37.041 1.00 0.00 N ATOM 1709 CA PHE A 108 87.202 22.078 -38.062 1.00 0.00 C ATOM 1710 C PHE A 108 86.827 22.540 -39.472 1.00 0.00 C ATOM 1711 O PHE A 108 85.677 22.821 -39.756 1.00 0.00 O ATOM 1712 CB PHE A 108 86.703 20.654 -37.814 1.00 0.00 C ATOM 1713 CG PHE A 108 87.382 19.619 -38.679 1.00 0.00 C ATOM 1714 CD1 PHE A 108 86.787 19.213 -39.899 1.00 0.00 C ATOM 1715 CD2 PHE A 108 88.614 19.053 -38.271 1.00 0.00 C ATOM 1716 CE1 PHE A 108 87.424 18.243 -40.710 1.00 0.00 C ATOM 1717 CE2 PHE A 108 89.252 18.082 -39.081 1.00 0.00 C ATOM 1718 CZ PHE A 108 88.656 17.677 -40.301 1.00 0.00 C ATOM 0 H PHE A 108 85.499 22.748 -36.963 1.00 0.00 H new ATOM 0 HA PHE A 108 88.287 22.150 -37.983 1.00 0.00 H new ATOM 0 HB2 PHE A 108 86.860 20.400 -36.766 1.00 0.00 H new ATOM 0 HB3 PHE A 108 85.628 20.618 -37.993 1.00 0.00 H new ATOM 0 HD1 PHE A 108 85.847 19.644 -40.211 1.00 0.00 H new ATOM 0 HD2 PHE A 108 89.068 19.362 -37.341 1.00 0.00 H new ATOM 0 HE1 PHE A 108 86.970 17.935 -41.640 1.00 0.00 H new ATOM 0 HE2 PHE A 108 90.192 17.651 -38.769 1.00 0.00 H new ATOM 0 HZ PHE A 108 89.141 16.936 -40.919 1.00 0.00 H new ATOM 1728 N ASP A 109 87.793 22.619 -40.356 1.00 0.00 N ATOM 1729 CA ASP A 109 87.501 23.047 -41.761 1.00 0.00 C ATOM 1730 C ASP A 109 87.034 21.846 -42.588 1.00 0.00 C ATOM 1731 O ASP A 109 87.782 20.913 -42.816 1.00 0.00 O ATOM 1732 CB ASP A 109 88.828 23.591 -42.301 1.00 0.00 C ATOM 1733 CG ASP A 109 88.595 24.258 -43.659 1.00 0.00 C ATOM 1734 OD1 ASP A 109 87.624 24.985 -43.783 1.00 0.00 O ATOM 1735 OD2 ASP A 109 89.394 24.029 -44.553 1.00 0.00 O ATOM 0 H ASP A 109 88.772 22.405 -40.165 1.00 0.00 H new ATOM 0 HA ASP A 109 86.710 23.795 -41.809 1.00 0.00 H new ATOM 0 HB2 ASP A 109 89.250 24.310 -41.599 1.00 0.00 H new ATOM 0 HB3 ASP A 109 89.551 22.781 -42.401 1.00 0.00 H new ATOM 1740 N LYS A 110 85.802 21.868 -43.038 1.00 0.00 N ATOM 1741 CA LYS A 110 85.265 20.721 -43.831 1.00 0.00 C ATOM 1742 C LYS A 110 85.249 21.068 -45.322 1.00 0.00 C ATOM 1743 O LYS A 110 84.887 22.165 -45.707 1.00 0.00 O ATOM 1744 CB LYS A 110 83.841 20.512 -43.315 1.00 0.00 C ATOM 1745 CG LYS A 110 83.885 20.028 -41.863 1.00 0.00 C ATOM 1746 CD LYS A 110 82.479 19.623 -41.413 1.00 0.00 C ATOM 1747 CE LYS A 110 81.613 20.873 -41.245 1.00 0.00 C ATOM 1748 NZ LYS A 110 80.251 20.358 -40.930 1.00 0.00 N ATOM 0 H LYS A 110 85.145 22.634 -42.889 1.00 0.00 H new ATOM 0 HA LYS A 110 85.874 19.824 -43.720 1.00 0.00 H new ATOM 0 HB2 LYS A 110 83.279 21.444 -43.381 1.00 0.00 H new ATOM 0 HB3 LYS A 110 83.322 19.782 -43.936 1.00 0.00 H new ATOM 0 HG2 LYS A 110 84.565 19.181 -41.772 1.00 0.00 H new ATOM 0 HG3 LYS A 110 84.271 20.817 -41.218 1.00 0.00 H new ATOM 0 HD2 LYS A 110 82.030 18.954 -42.147 1.00 0.00 H new ATOM 0 HD3 LYS A 110 82.531 19.075 -40.472 1.00 0.00 H new ATOM 0 HE2 LYS A 110 81.989 21.509 -40.444 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.607 21.474 -42.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 79.599 21.158 -40.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 79.916 19.761 -41.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.286 19.795 -40.056 1.00 0.00 H new ATOM 1762 N LYS A 111 85.639 20.138 -46.161 1.00 0.00 N ATOM 1763 CA LYS A 111 85.628 20.391 -47.640 1.00 0.00 C ATOM 1764 C LYS A 111 84.190 20.574 -48.139 1.00 0.00 C ATOM 1765 O LYS A 111 83.939 21.317 -49.070 1.00 0.00 O ATOM 1766 CB LYS A 111 86.258 19.148 -48.274 1.00 0.00 C ATOM 1767 CG LYS A 111 87.732 19.059 -47.873 1.00 0.00 C ATOM 1768 CD LYS A 111 88.389 17.881 -48.597 1.00 0.00 C ATOM 1769 CE LYS A 111 89.829 17.719 -48.107 1.00 0.00 C ATOM 1770 NZ LYS A 111 90.523 16.975 -49.194 1.00 0.00 N ATOM 0 H LYS A 111 85.966 19.212 -45.886 1.00 0.00 H new ATOM 0 HA LYS A 111 86.175 21.298 -47.899 1.00 0.00 H new ATOM 0 HB2 LYS A 111 85.728 18.253 -47.949 1.00 0.00 H new ATOM 0 HB3 LYS A 111 86.168 19.195 -49.359 1.00 0.00 H new ATOM 0 HG2 LYS A 111 88.245 19.987 -48.126 1.00 0.00 H new ATOM 0 HG3 LYS A 111 87.819 18.931 -46.794 1.00 0.00 H new ATOM 0 HD2 LYS A 111 87.826 16.967 -48.411 1.00 0.00 H new ATOM 0 HD3 LYS A 111 88.377 18.050 -49.674 1.00 0.00 H new ATOM 0 HE2 LYS A 111 90.297 18.687 -47.930 1.00 0.00 H new ATOM 0 HE3 LYS A 111 89.867 17.170 -47.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 91.518 16.825 -48.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 90.060 16.055 -49.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 90.477 17.525 -50.075 1.00 0.00 H new ATOM 1784 N GLN A 112 83.242 19.897 -47.522 1.00 0.00 N ATOM 1785 CA GLN A 112 81.801 20.006 -47.942 1.00 0.00 C ATOM 1786 C GLN A 112 81.645 19.733 -49.445 1.00 0.00 C ATOM 1787 O GLN A 112 80.802 20.315 -50.105 1.00 0.00 O ATOM 1788 CB GLN A 112 81.375 21.442 -47.605 1.00 0.00 C ATOM 1789 CG GLN A 112 81.408 21.646 -46.088 1.00 0.00 C ATOM 1790 CD GLN A 112 80.252 20.877 -45.443 1.00 0.00 C ATOM 1791 OE1 GLN A 112 79.150 20.873 -45.954 1.00 0.00 O ATOM 1792 NE2 GLN A 112 80.459 20.221 -44.334 1.00 0.00 N ATOM 0 H GLN A 112 83.408 19.267 -46.737 1.00 0.00 H new ATOM 0 HA GLN A 112 81.181 19.272 -47.427 1.00 0.00 H new ATOM 0 HB2 GLN A 112 82.042 22.153 -48.092 1.00 0.00 H new ATOM 0 HB3 GLN A 112 80.372 21.633 -47.986 1.00 0.00 H new ATOM 0 HG2 GLN A 112 82.359 21.299 -45.685 1.00 0.00 H new ATOM 0 HG3 GLN A 112 81.329 22.707 -45.851 1.00 0.00 H new ATOM 0 HE21 GLN A 112 81.384 20.224 -43.905 1.00 0.00 H new ATOM 0 HE22 GLN A 112 79.696 19.705 -43.897 1.00 0.00 H new ATOM 1801 N VAL A 113 82.455 18.854 -49.984 1.00 0.00 N ATOM 1802 CA VAL A 113 82.342 18.513 -51.440 1.00 0.00 C ATOM 1803 C VAL A 113 81.207 17.505 -51.674 1.00 0.00 C ATOM 1804 O VAL A 113 80.626 17.456 -52.742 1.00 0.00 O ATOM 1805 CB VAL A 113 83.704 17.921 -51.855 1.00 0.00 C ATOM 1806 CG1 VAL A 113 84.798 18.977 -51.672 1.00 0.00 C ATOM 1807 CG2 VAL A 113 84.050 16.689 -51.003 1.00 0.00 C ATOM 0 H VAL A 113 83.190 18.357 -49.480 1.00 0.00 H new ATOM 0 HA VAL A 113 82.104 19.394 -52.036 1.00 0.00 H new ATOM 0 HB VAL A 113 83.642 17.619 -52.901 1.00 0.00 H new ATOM 0 HG11 VAL A 113 85.761 18.558 -51.965 1.00 0.00 H new ATOM 0 HG12 VAL A 113 84.575 19.844 -52.294 1.00 0.00 H new ATOM 0 HG13 VAL A 113 84.838 19.282 -50.626 1.00 0.00 H new ATOM 0 HG21 VAL A 113 85.015 16.290 -51.315 1.00 0.00 H new ATOM 0 HG22 VAL A 113 84.098 16.975 -49.952 1.00 0.00 H new ATOM 0 HG23 VAL A 113 83.282 15.927 -51.136 1.00 0.00 H new ATOM 1817 N PHE A 114 80.889 16.702 -50.683 1.00 0.00 N ATOM 1818 CA PHE A 114 79.768 15.724 -50.827 1.00 0.00 C ATOM 1819 C PHE A 114 78.764 15.898 -49.684 1.00 0.00 C ATOM 1820 O PHE A 114 79.113 16.346 -48.607 1.00 0.00 O ATOM 1821 CB PHE A 114 80.429 14.347 -50.752 1.00 0.00 C ATOM 1822 CG PHE A 114 81.409 14.086 -51.872 1.00 0.00 C ATOM 1823 CD1 PHE A 114 81.003 14.242 -53.220 1.00 0.00 C ATOM 1824 CD2 PHE A 114 82.734 13.682 -51.574 1.00 0.00 C ATOM 1825 CE1 PHE A 114 81.921 13.996 -54.269 1.00 0.00 C ATOM 1826 CE2 PHE A 114 83.652 13.436 -52.624 1.00 0.00 C ATOM 1827 CZ PHE A 114 83.246 13.592 -53.972 1.00 0.00 C ATOM 0 H PHE A 114 81.361 16.685 -49.779 1.00 0.00 H new ATOM 0 HA PHE A 114 79.218 15.862 -51.758 1.00 0.00 H new ATOM 0 HB2 PHE A 114 80.947 14.253 -49.798 1.00 0.00 H new ATOM 0 HB3 PHE A 114 79.655 13.580 -50.771 1.00 0.00 H new ATOM 0 HD1 PHE A 114 79.993 14.549 -53.448 1.00 0.00 H new ATOM 0 HD2 PHE A 114 83.044 13.562 -50.546 1.00 0.00 H new ATOM 0 HE1 PHE A 114 81.611 14.116 -55.297 1.00 0.00 H new ATOM 0 HE2 PHE A 114 84.662 13.129 -52.397 1.00 0.00 H new ATOM 0 HZ PHE A 114 83.946 13.403 -54.773 1.00 0.00 H new ATOM 1837 N ALA A 115 77.522 15.547 -49.914 1.00 0.00 N ATOM 1838 CA ALA A 115 76.488 15.666 -48.841 1.00 0.00 C ATOM 1839 C ALA A 115 76.059 14.276 -48.365 1.00 0.00 C ATOM 1840 O ALA A 115 75.232 13.629 -48.984 1.00 0.00 O ATOM 1841 CB ALA A 115 75.316 16.393 -49.501 1.00 0.00 C ATOM 0 H ALA A 115 77.180 15.182 -50.803 1.00 0.00 H new ATOM 0 HA ALA A 115 76.858 16.200 -47.966 1.00 0.00 H new ATOM 0 HB1 ALA A 115 74.512 16.520 -48.776 1.00 0.00 H new ATOM 0 HB2 ALA A 115 75.646 17.371 -49.852 1.00 0.00 H new ATOM 0 HB3 ALA A 115 74.954 15.807 -50.346 1.00 0.00 H new ATOM 1847 N GLU A 116 76.615 13.814 -47.271 1.00 0.00 N ATOM 1848 CA GLU A 116 76.255 12.460 -46.747 1.00 0.00 C ATOM 1849 C GLU A 116 75.625 12.580 -45.355 1.00 0.00 C ATOM 1850 O GLU A 116 76.018 13.413 -44.559 1.00 0.00 O ATOM 1851 CB GLU A 116 77.578 11.696 -46.672 1.00 0.00 C ATOM 1852 CG GLU A 116 78.123 11.473 -48.085 1.00 0.00 C ATOM 1853 CD GLU A 116 79.404 10.639 -48.011 1.00 0.00 C ATOM 1854 OE1 GLU A 116 80.426 11.189 -47.637 1.00 0.00 O ATOM 1855 OE2 GLU A 116 79.340 9.463 -48.331 1.00 0.00 O ATOM 0 H GLU A 116 77.306 14.320 -46.716 1.00 0.00 H new ATOM 0 HA GLU A 116 75.528 11.954 -47.382 1.00 0.00 H new ATOM 0 HB2 GLU A 116 78.300 12.256 -46.077 1.00 0.00 H new ATOM 0 HB3 GLU A 116 77.429 10.738 -46.174 1.00 0.00 H new ATOM 0 HG2 GLU A 116 77.379 10.963 -48.697 1.00 0.00 H new ATOM 0 HG3 GLU A 116 78.327 12.431 -48.563 1.00 0.00 H new ATOM 1862 N PHE A 117 74.652 11.752 -45.063 1.00 0.00 N ATOM 1863 CA PHE A 117 73.998 11.790 -43.718 1.00 0.00 C ATOM 1864 C PHE A 117 74.059 10.408 -43.062 1.00 0.00 C ATOM 1865 O PHE A 117 74.214 9.403 -43.733 1.00 0.00 O ATOM 1866 CB PHE A 117 72.549 12.190 -43.993 1.00 0.00 C ATOM 1867 CG PHE A 117 72.409 13.568 -44.597 1.00 0.00 C ATOM 1868 CD1 PHE A 117 72.373 14.708 -43.759 1.00 0.00 C ATOM 1869 CD2 PHE A 117 72.312 13.719 -46.002 1.00 0.00 C ATOM 1870 CE1 PHE A 117 72.242 16.000 -44.325 1.00 0.00 C ATOM 1871 CE2 PHE A 117 72.181 15.010 -46.568 1.00 0.00 C ATOM 1872 CZ PHE A 117 72.146 16.151 -45.729 1.00 0.00 C ATOM 0 H PHE A 117 74.281 11.048 -45.701 1.00 0.00 H new ATOM 0 HA PHE A 117 74.490 12.486 -43.039 1.00 0.00 H new ATOM 0 HB2 PHE A 117 72.100 11.460 -44.666 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.986 12.152 -43.060 1.00 0.00 H new ATOM 0 HD1 PHE A 117 72.445 14.593 -42.688 1.00 0.00 H new ATOM 0 HD2 PHE A 117 72.338 12.849 -46.642 1.00 0.00 H new ATOM 0 HE1 PHE A 117 72.215 16.870 -43.685 1.00 0.00 H new ATOM 0 HE2 PHE A 117 72.108 15.125 -47.639 1.00 0.00 H new ATOM 0 HZ PHE A 117 72.046 17.136 -46.161 1.00 0.00 H new ATOM 1882 N ARG A 118 73.937 10.352 -41.757 1.00 0.00 N ATOM 1883 CA ARG A 118 73.982 9.038 -41.046 1.00 0.00 C ATOM 1884 C ARG A 118 72.623 8.735 -40.408 1.00 0.00 C ATOM 1885 O ARG A 118 72.077 9.545 -39.682 1.00 0.00 O ATOM 1886 CB ARG A 118 75.054 9.208 -39.967 1.00 0.00 C ATOM 1887 CG ARG A 118 76.427 9.358 -40.627 1.00 0.00 C ATOM 1888 CD ARG A 118 77.513 9.424 -39.546 1.00 0.00 C ATOM 1889 NE ARG A 118 77.254 10.696 -38.796 1.00 0.00 N ATOM 1890 CZ ARG A 118 77.784 10.913 -37.607 1.00 0.00 C ATOM 1891 NH1 ARG A 118 78.565 10.029 -37.028 1.00 0.00 N ATOM 1892 NH2 ARG A 118 77.528 12.034 -36.992 1.00 0.00 N ATOM 0 H ARG A 118 73.808 11.164 -41.153 1.00 0.00 H new ATOM 0 HA ARG A 118 74.208 8.212 -41.720 1.00 0.00 H new ATOM 0 HB2 ARG A 118 74.835 10.084 -39.357 1.00 0.00 H new ATOM 0 HB3 ARG A 118 75.052 8.346 -39.299 1.00 0.00 H new ATOM 0 HG2 ARG A 118 76.615 8.517 -41.294 1.00 0.00 H new ATOM 0 HG3 ARG A 118 76.452 10.261 -41.237 1.00 0.00 H new ATOM 0 HD2 ARG A 118 77.460 8.560 -38.884 1.00 0.00 H new ATOM 0 HD3 ARG A 118 78.509 9.426 -39.989 1.00 0.00 H new ATOM 0 HE ARG A 118 76.656 11.409 -39.213 1.00 0.00 H new ATOM 0 HH11 ARG A 118 78.775 9.149 -37.498 1.00 0.00 H new ATOM 0 HH12 ARG A 118 78.961 10.223 -36.108 1.00 0.00 H new ATOM 0 HH21 ARG A 118 76.925 12.730 -37.430 1.00 0.00 H new ATOM 0 HH22 ARG A 118 77.931 12.215 -36.073 1.00 0.00 H new ATOM 1906 N GLU A 119 72.079 7.572 -40.677 1.00 0.00 N ATOM 1907 CA GLU A 119 70.750 7.203 -40.091 1.00 0.00 C ATOM 1908 C GLU A 119 70.880 6.987 -38.579 1.00 0.00 C ATOM 1909 O GLU A 119 69.972 7.281 -37.825 1.00 0.00 O ATOM 1910 CB GLU A 119 70.346 5.898 -40.785 1.00 0.00 C ATOM 1911 CG GLU A 119 70.079 6.163 -42.270 1.00 0.00 C ATOM 1912 CD GLU A 119 68.809 7.005 -42.429 1.00 0.00 C ATOM 1913 OE1 GLU A 119 68.818 7.903 -43.255 1.00 0.00 O ATOM 1914 OE2 GLU A 119 67.849 6.735 -41.725 1.00 0.00 O ATOM 0 H GLU A 119 72.498 6.862 -41.277 1.00 0.00 H new ATOM 0 HA GLU A 119 70.007 7.986 -40.240 1.00 0.00 H new ATOM 0 HB2 GLU A 119 71.137 5.156 -40.675 1.00 0.00 H new ATOM 0 HB3 GLU A 119 69.454 5.485 -40.313 1.00 0.00 H new ATOM 0 HG2 GLU A 119 70.928 6.682 -42.714 1.00 0.00 H new ATOM 0 HG3 GLU A 119 69.969 5.219 -42.803 1.00 0.00 H new ATOM 1921 N LYS A 120 72.004 6.476 -38.138 1.00 0.00 N ATOM 1922 CA LYS A 120 72.201 6.217 -36.678 1.00 0.00 C ATOM 1923 C LYS A 120 73.420 6.987 -36.163 1.00 0.00 C ATOM 1924 O LYS A 120 74.459 7.014 -36.798 1.00 0.00 O ATOM 1925 CB LYS A 120 72.434 4.709 -36.573 1.00 0.00 C ATOM 1926 CG LYS A 120 72.413 4.289 -35.102 1.00 0.00 C ATOM 1927 CD LYS A 120 70.971 4.286 -34.591 1.00 0.00 C ATOM 1928 CE LYS A 120 70.939 3.760 -33.154 1.00 0.00 C ATOM 1929 NZ LYS A 120 70.927 2.278 -33.287 1.00 0.00 N ATOM 0 H LYS A 120 72.797 6.226 -38.730 1.00 0.00 H new ATOM 0 HA LYS A 120 71.348 6.541 -36.082 1.00 0.00 H new ATOM 0 HB2 LYS A 120 71.663 4.172 -37.126 1.00 0.00 H new ATOM 0 HB3 LYS A 120 73.391 4.446 -37.023 1.00 0.00 H new ATOM 0 HG2 LYS A 120 72.851 3.297 -34.990 1.00 0.00 H new ATOM 0 HG3 LYS A 120 73.019 4.974 -34.509 1.00 0.00 H new ATOM 0 HD2 LYS A 120 70.558 5.294 -34.630 1.00 0.00 H new ATOM 0 HD3 LYS A 120 70.348 3.662 -35.232 1.00 0.00 H new ATOM 0 HE2 LYS A 120 71.808 4.099 -32.590 1.00 0.00 H new ATOM 0 HE3 LYS A 120 70.056 4.116 -32.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 69.973 1.919 -33.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 71.196 2.014 -34.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 71.604 1.864 -32.615 1.00 0.00 H new ATOM 1943 N ASP A 121 73.297 7.612 -35.017 1.00 0.00 N ATOM 1944 CA ASP A 121 74.443 8.384 -34.445 1.00 0.00 C ATOM 1945 C ASP A 121 74.697 7.955 -32.996 1.00 0.00 C ATOM 1946 O ASP A 121 75.822 8.095 -32.547 1.00 0.00 O ATOM 1947 CB ASP A 121 74.002 9.847 -34.503 1.00 0.00 C ATOM 1948 CG ASP A 121 75.186 10.752 -34.157 1.00 0.00 C ATOM 1949 OD1 ASP A 121 75.290 11.145 -33.007 1.00 0.00 O ATOM 1950 OD2 ASP A 121 75.969 11.037 -35.049 1.00 0.00 O ATOM 1951 OXT ASP A 121 73.761 7.496 -32.363 1.00 0.00 O ATOM 0 H ASP A 121 72.448 7.620 -34.451 1.00 0.00 H new ATOM 0 HA ASP A 121 75.370 8.216 -34.993 1.00 0.00 H new ATOM 0 HB2 ASP A 121 73.627 10.086 -35.498 1.00 0.00 H new ATOM 0 HB3 ASP A 121 73.183 10.019 -33.804 1.00 0.00 H new TER 1956 ASP A 121