USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 774 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 9 SER OG : rot -13:sc= 0.684 USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= 0.0546 F(o=-1.4,f=0.47) USER MOD Set 1.3: A 53 GLN : amide:sc= -0.265 K(o=0.47,f=-1.3) USER MOD Set 2.1: A 43 THR OG1 : rot -57:sc= 1.03 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 5 ASN : amide:sc= -0.104! K(o=-0.42!,f=-3) USER MOD Set 3.2: A 57 SER OG : rot 133:sc= -0.317! USER MOD Single : A 6 THR OG1 : rot -25:sc= 0.408 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.031) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0741 (180deg=-0.364) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 49 GLN : amide:sc= -0.754 K(o=-0.75,f=-1.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= -0.0691 (180deg=-0.0691) USER MOD Single : A 63 GLN : amide:sc= 0.0622 X(o=0.062,f=-0.14) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.126) USER MOD Single : A 74 SER OG : rot 170:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.077) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.445 K(o=-0.45,f=-2.1!) USER MOD Single : A 82 ASN : amide:sc= 0.167 K(o=0.17,f=-2.3!) USER MOD Single : A 83 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= -0.196 (180deg=-0.766) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 76:sc= -0.116 USER MOD Single : A 96 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.48) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= -0.0625 (180deg=-0.371) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 5 11.960 0.598 -6.181 1.00 61.33 N ATOM 41 CA ASN A 5 11.473 -0.599 -6.857 1.00 74.03 C ATOM 42 C ASN A 5 11.433 -0.392 -8.368 1.00 74.04 C ATOM 43 O ASN A 5 10.784 0.530 -8.864 1.00 12.35 O ATOM 44 CB ASN A 5 10.079 -0.968 -6.345 1.00 11.32 C ATOM 45 CG ASN A 5 10.095 -1.410 -4.894 1.00 73.13 C ATOM 46 OD1 ASN A 5 9.870 -2.581 -4.589 1.00 24.35 O ATOM 47 ND2 ASN A 5 10.360 -0.472 -3.993 1.00 3.03 N ATOM 0 HA ASN A 5 12.161 -1.415 -6.638 1.00 74.03 H new ATOM 0 HB2 ASN A 5 9.416 -0.110 -6.453 1.00 11.32 H new ATOM 0 HB3 ASN A 5 9.668 -1.768 -6.961 1.00 11.32 H new ATOM 0 HD21 ASN A 5 10.383 -0.709 -3.001 1.00 3.03 H new ATOM 0 HD22 ASN A 5 10.540 0.486 -4.292 1.00 3.03 H new ATOM 54 N THR A 6 12.131 -1.257 -9.098 1.00 34.35 N ATOM 55 CA THR A 6 12.176 -1.170 -10.552 1.00 11.24 C ATOM 56 C THR A 6 12.591 -2.500 -11.170 1.00 12.02 C ATOM 57 O THR A 6 13.598 -3.091 -10.778 1.00 33.44 O ATOM 58 CB THR A 6 13.152 -0.073 -11.018 1.00 73.23 C ATOM 59 OG1 THR A 6 12.870 1.155 -10.338 1.00 22.00 O ATOM 60 CG2 THR A 6 13.049 0.139 -12.521 1.00 70.32 C ATOM 0 H THR A 6 12.673 -2.026 -8.705 1.00 34.35 H new ATOM 0 HA THR A 6 11.170 -0.917 -10.885 1.00 11.24 H new ATOM 0 HB THR A 6 14.166 -0.395 -10.780 1.00 73.23 H new ATOM 0 HG1 THR A 6 11.932 1.164 -10.055 1.00 22.00 H new ATOM 0 HG21 THR A 6 13.747 0.918 -12.827 1.00 70.32 H new ATOM 0 HG22 THR A 6 13.292 -0.790 -13.037 1.00 70.32 H new ATOM 0 HG23 THR A 6 12.033 0.441 -12.777 1.00 70.32 H new ATOM 68 N LEU A 7 11.810 -2.966 -12.138 1.00 41.13 N ATOM 69 CA LEU A 7 12.097 -4.227 -12.812 1.00 63.53 C ATOM 70 C LEU A 7 13.437 -4.164 -13.538 1.00 61.25 C ATOM 71 O LEU A 7 13.686 -3.249 -14.324 1.00 11.02 O ATOM 72 CB LEU A 7 10.982 -4.564 -13.804 1.00 2.01 C ATOM 73 CG LEU A 7 9.812 -5.375 -13.248 1.00 34.34 C ATOM 74 CD1 LEU A 7 10.296 -6.713 -12.711 1.00 65.11 C ATOM 75 CD2 LEU A 7 9.089 -4.593 -12.160 1.00 43.25 C ATOM 0 H LEU A 7 10.973 -2.489 -12.474 1.00 41.13 H new ATOM 0 HA LEU A 7 12.151 -5.010 -12.056 1.00 63.53 H new ATOM 0 HB2 LEU A 7 10.591 -3.631 -14.211 1.00 2.01 H new ATOM 0 HB3 LEU A 7 11.418 -5.117 -14.636 1.00 2.01 H new ATOM 0 HG LEU A 7 9.110 -5.565 -14.060 1.00 34.34 H new ATOM 0 HD11 LEU A 7 9.449 -7.276 -12.319 1.00 65.11 H new ATOM 0 HD12 LEU A 7 10.767 -7.279 -13.515 1.00 65.11 H new ATOM 0 HD13 LEU A 7 11.019 -6.545 -11.913 1.00 65.11 H new ATOM 0 HD21 LEU A 7 8.259 -5.186 -11.776 1.00 43.25 H new ATOM 0 HD22 LEU A 7 9.783 -4.372 -11.349 1.00 43.25 H new ATOM 0 HD23 LEU A 7 8.707 -3.660 -12.575 1.00 43.25 H new ATOM 87 N ILE A 8 14.295 -5.143 -13.272 1.00 62.24 N ATOM 88 CA ILE A 8 15.608 -5.200 -13.903 1.00 60.11 C ATOM 89 C ILE A 8 15.957 -6.625 -14.318 1.00 62.30 C ATOM 90 O ILE A 8 15.446 -7.591 -13.751 1.00 1.23 O ATOM 91 CB ILE A 8 16.707 -4.667 -12.965 1.00 51.42 C ATOM 92 CG1 ILE A 8 16.578 -5.302 -11.579 1.00 73.13 C ATOM 93 CG2 ILE A 8 16.630 -3.150 -12.868 1.00 30.31 C ATOM 94 CD1 ILE A 8 17.886 -5.374 -10.823 1.00 52.41 C ATOM 0 H ILE A 8 14.105 -5.907 -12.624 1.00 62.24 H new ATOM 0 HA ILE A 8 15.560 -4.567 -14.789 1.00 60.11 H new ATOM 0 HB ILE A 8 17.679 -4.937 -13.378 1.00 51.42 H new ATOM 0 HG12 ILE A 8 15.859 -4.730 -10.992 1.00 73.13 H new ATOM 0 HG13 ILE A 8 16.173 -6.309 -11.686 1.00 73.13 H new ATOM 0 HG21 ILE A 8 17.413 -2.788 -12.202 1.00 30.31 H new ATOM 0 HG22 ILE A 8 16.766 -2.715 -13.858 1.00 30.31 H new ATOM 0 HG23 ILE A 8 15.656 -2.860 -12.475 1.00 30.31 H new ATOM 0 HD11 ILE A 8 17.719 -5.835 -9.850 1.00 52.41 H new ATOM 0 HD12 ILE A 8 18.601 -5.971 -11.389 1.00 52.41 H new ATOM 0 HD13 ILE A 8 18.282 -4.368 -10.685 1.00 52.41 H new ATOM 106 N SER A 9 16.833 -6.749 -15.310 1.00 73.34 N ATOM 107 CA SER A 9 17.250 -8.057 -15.803 1.00 54.12 C ATOM 108 C SER A 9 18.747 -8.264 -15.596 1.00 11.45 C ATOM 109 O SER A 9 19.567 -7.770 -16.370 1.00 12.23 O ATOM 110 CB SER A 9 16.904 -8.200 -17.287 1.00 24.13 C ATOM 111 OG SER A 9 16.956 -9.557 -17.694 1.00 14.44 O ATOM 0 H SER A 9 17.268 -5.960 -15.788 1.00 73.34 H new ATOM 0 HA SER A 9 16.714 -8.819 -15.237 1.00 54.12 H new ATOM 0 HB2 SER A 9 15.907 -7.800 -17.472 1.00 24.13 H new ATOM 0 HB3 SER A 9 17.600 -7.611 -17.884 1.00 24.13 H new ATOM 0 HG SER A 9 17.394 -10.091 -16.998 1.00 14.44 H new ATOM 117 N VAL A 10 19.096 -8.998 -14.544 1.00 3.43 N ATOM 118 CA VAL A 10 20.494 -9.272 -14.233 1.00 42.42 C ATOM 119 C VAL A 10 20.829 -10.742 -14.456 1.00 34.31 C ATOM 120 O VAL A 10 20.018 -11.624 -14.169 1.00 44.05 O ATOM 121 CB VAL A 10 20.830 -8.895 -12.778 1.00 42.20 C ATOM 122 CG1 VAL A 10 20.101 -9.811 -11.807 1.00 64.21 C ATOM 123 CG2 VAL A 10 22.333 -8.947 -12.548 1.00 30.51 C ATOM 0 H VAL A 10 18.430 -9.413 -13.893 1.00 3.43 H new ATOM 0 HA VAL A 10 21.094 -8.660 -14.907 1.00 42.42 H new ATOM 0 HB VAL A 10 20.493 -7.874 -12.598 1.00 42.20 H new ATOM 0 HG11 VAL A 10 20.351 -9.529 -10.784 1.00 64.21 H new ATOM 0 HG12 VAL A 10 19.025 -9.718 -11.957 1.00 64.21 H new ATOM 0 HG13 VAL A 10 20.404 -10.843 -11.983 1.00 64.21 H new ATOM 0 HG21 VAL A 10 22.553 -8.678 -11.515 1.00 30.51 H new ATOM 0 HG22 VAL A 10 22.697 -9.955 -12.745 1.00 30.51 H new ATOM 0 HG23 VAL A 10 22.828 -8.245 -13.219 1.00 30.51 H new ATOM 133 N ASP A 11 22.027 -11.000 -14.968 1.00 51.31 N ATOM 134 CA ASP A 11 22.470 -12.364 -15.228 1.00 61.52 C ATOM 135 C ASP A 11 23.409 -12.850 -14.128 1.00 41.23 C ATOM 136 O ASP A 11 24.159 -12.065 -13.547 1.00 14.22 O ATOM 137 CB ASP A 11 23.170 -12.446 -16.586 1.00 34.21 C ATOM 138 CG ASP A 11 22.389 -11.748 -17.682 1.00 70.53 C ATOM 139 OD1 ASP A 11 21.163 -11.576 -17.519 1.00 42.33 O ATOM 140 OD2 ASP A 11 23.004 -11.376 -18.704 1.00 13.01 O ATOM 0 H ASP A 11 22.709 -10.282 -15.211 1.00 51.31 H new ATOM 0 HA ASP A 11 21.591 -13.008 -15.241 1.00 61.52 H new ATOM 0 HB2 ASP A 11 24.161 -11.999 -16.508 1.00 34.21 H new ATOM 0 HB3 ASP A 11 23.313 -13.492 -16.855 1.00 34.21 H new ATOM 145 N TYR A 12 23.362 -14.147 -13.847 1.00 61.24 N ATOM 146 CA TYR A 12 24.206 -14.737 -12.815 1.00 11.33 C ATOM 147 C TYR A 12 25.131 -15.796 -13.406 1.00 41.01 C ATOM 148 O TYR A 12 24.899 -16.292 -14.508 1.00 44.32 O ATOM 149 CB TYR A 12 23.343 -15.355 -11.713 1.00 43.31 C ATOM 150 CG TYR A 12 22.823 -14.346 -10.714 1.00 71.10 C ATOM 151 CD1 TYR A 12 23.552 -14.028 -9.574 1.00 72.44 C ATOM 152 CD2 TYR A 12 21.602 -13.712 -10.909 1.00 4.41 C ATOM 153 CE1 TYR A 12 23.080 -13.108 -8.658 1.00 61.14 C ATOM 154 CE2 TYR A 12 21.124 -12.789 -9.999 1.00 53.00 C ATOM 155 CZ TYR A 12 21.866 -12.491 -8.875 1.00 50.34 C ATOM 156 OH TYR A 12 21.392 -11.573 -7.966 1.00 31.20 O ATOM 0 H TYR A 12 22.748 -14.810 -14.320 1.00 61.24 H new ATOM 0 HA TYR A 12 24.819 -13.944 -12.386 1.00 11.33 H new ATOM 0 HB2 TYR A 12 22.498 -15.870 -12.170 1.00 43.31 H new ATOM 0 HB3 TYR A 12 23.927 -16.109 -11.185 1.00 43.31 H new ATOM 0 HD1 TYR A 12 24.504 -14.508 -9.401 1.00 72.44 H new ATOM 0 HD2 TYR A 12 21.017 -13.945 -11.787 1.00 4.41 H new ATOM 0 HE1 TYR A 12 23.659 -12.873 -7.777 1.00 61.14 H new ATOM 0 HE2 TYR A 12 20.174 -12.303 -10.167 1.00 53.00 H new ATOM 0 HH TYR A 12 20.525 -11.231 -8.268 1.00 31.20 H new ATOM 166 N GLU A 13 26.180 -16.138 -12.664 1.00 13.52 N ATOM 167 CA GLU A 13 27.140 -17.138 -13.114 1.00 44.33 C ATOM 168 C GLU A 13 27.837 -17.796 -11.927 1.00 64.22 C ATOM 169 O GLU A 13 28.566 -17.142 -11.181 1.00 42.30 O ATOM 170 CB GLU A 13 28.179 -16.500 -14.040 1.00 14.54 C ATOM 171 CG GLU A 13 28.828 -17.485 -14.997 1.00 54.43 C ATOM 172 CD GLU A 13 29.972 -16.870 -15.780 1.00 14.30 C ATOM 173 OE1 GLU A 13 31.106 -16.854 -15.258 1.00 21.32 O ATOM 174 OE2 GLU A 13 29.733 -16.404 -16.914 1.00 11.04 O ATOM 0 H GLU A 13 26.386 -15.737 -11.749 1.00 13.52 H new ATOM 0 HA GLU A 13 26.595 -17.905 -13.665 1.00 44.33 H new ATOM 0 HB2 GLU A 13 27.702 -15.707 -14.616 1.00 14.54 H new ATOM 0 HB3 GLU A 13 28.954 -16.031 -13.434 1.00 14.54 H new ATOM 0 HG2 GLU A 13 29.197 -18.343 -14.435 1.00 54.43 H new ATOM 0 HG3 GLU A 13 28.077 -17.859 -15.692 1.00 54.43 H new ATOM 181 N ILE A 14 27.607 -19.094 -11.759 1.00 45.02 N ATOM 182 CA ILE A 14 28.213 -19.841 -10.664 1.00 22.11 C ATOM 183 C ILE A 14 29.177 -20.900 -11.188 1.00 4.12 C ATOM 184 O ILE A 14 28.943 -21.506 -12.233 1.00 53.25 O ATOM 185 CB ILE A 14 27.145 -20.524 -9.789 1.00 52.54 C ATOM 186 CG1 ILE A 14 26.048 -19.525 -9.413 1.00 42.13 C ATOM 187 CG2 ILE A 14 27.781 -21.115 -8.540 1.00 43.15 C ATOM 188 CD1 ILE A 14 26.560 -18.326 -8.647 1.00 2.34 C ATOM 0 H ILE A 14 27.006 -19.650 -12.367 1.00 45.02 H new ATOM 0 HA ILE A 14 28.762 -19.121 -10.057 1.00 22.11 H new ATOM 0 HB ILE A 14 26.693 -21.335 -10.360 1.00 52.54 H new ATOM 0 HG12 ILE A 14 25.554 -19.181 -10.322 1.00 42.13 H new ATOM 0 HG13 ILE A 14 25.294 -20.034 -8.813 1.00 42.13 H new ATOM 0 HG21 ILE A 14 27.013 -21.594 -7.932 1.00 43.15 H new ATOM 0 HG22 ILE A 14 28.529 -21.854 -8.827 1.00 43.15 H new ATOM 0 HG23 ILE A 14 28.257 -20.322 -7.964 1.00 43.15 H new ATOM 0 HD11 ILE A 14 25.728 -17.661 -8.414 1.00 2.34 H new ATOM 0 HD12 ILE A 14 27.029 -18.659 -7.721 1.00 2.34 H new ATOM 0 HD13 ILE A 14 27.292 -17.793 -9.253 1.00 2.34 H new ATOM 200 N PHE A 15 30.263 -21.119 -10.453 1.00 72.10 N ATOM 201 CA PHE A 15 31.263 -22.106 -10.843 1.00 3.03 C ATOM 202 C PHE A 15 31.604 -23.026 -9.674 1.00 33.01 C ATOM 203 O PHE A 15 31.701 -22.584 -8.530 1.00 25.31 O ATOM 204 CB PHE A 15 32.530 -21.409 -11.343 1.00 51.14 C ATOM 205 CG PHE A 15 33.534 -22.350 -11.945 1.00 70.03 C ATOM 206 CD1 PHE A 15 34.503 -22.948 -11.156 1.00 2.52 C ATOM 207 CD2 PHE A 15 33.509 -22.637 -13.301 1.00 12.33 C ATOM 208 CE1 PHE A 15 35.428 -23.814 -11.706 1.00 65.44 C ATOM 209 CE2 PHE A 15 34.431 -23.503 -13.857 1.00 1.03 C ATOM 210 CZ PHE A 15 35.393 -24.092 -13.059 1.00 12.51 C ATOM 0 H PHE A 15 30.473 -20.626 -9.585 1.00 72.10 H new ATOM 0 HA PHE A 15 30.846 -22.710 -11.649 1.00 3.03 H new ATOM 0 HB2 PHE A 15 32.254 -20.661 -12.086 1.00 51.14 H new ATOM 0 HB3 PHE A 15 32.995 -20.877 -10.512 1.00 51.14 H new ATOM 0 HD1 PHE A 15 34.536 -22.734 -10.098 1.00 2.52 H new ATOM 0 HD2 PHE A 15 32.760 -22.178 -13.930 1.00 12.33 H new ATOM 0 HE1 PHE A 15 36.178 -24.273 -11.079 1.00 65.44 H new ATOM 0 HE2 PHE A 15 34.400 -23.719 -14.915 1.00 1.03 H new ATOM 0 HZ PHE A 15 36.116 -24.768 -13.492 1.00 12.51 H new ATOM 220 N GLY A 16 31.783 -24.310 -9.971 1.00 54.44 N ATOM 221 CA GLY A 16 32.109 -25.272 -8.936 1.00 23.51 C ATOM 222 C GLY A 16 31.241 -26.513 -9.003 1.00 15.23 C ATOM 223 O GLY A 16 31.168 -27.175 -10.038 1.00 43.23 O ATOM 0 H GLY A 16 31.708 -24.700 -10.910 1.00 54.44 H new ATOM 0 HA2 GLY A 16 33.156 -25.560 -9.029 1.00 23.51 H new ATOM 0 HA3 GLY A 16 31.992 -24.803 -7.959 1.00 23.51 H new ATOM 227 N LYS A 17 30.580 -26.831 -7.895 1.00 13.33 N ATOM 228 CA LYS A 17 29.711 -28.000 -7.830 1.00 23.20 C ATOM 229 C LYS A 17 28.278 -27.635 -8.203 1.00 0.04 C ATOM 230 O LYS A 17 27.332 -28.002 -7.506 1.00 31.51 O ATOM 231 CB LYS A 17 29.745 -28.609 -6.426 1.00 63.14 C ATOM 232 CG LYS A 17 29.114 -29.988 -6.346 1.00 74.12 C ATOM 233 CD LYS A 17 30.119 -31.081 -6.666 1.00 61.55 C ATOM 234 CE LYS A 17 30.149 -31.393 -8.155 1.00 11.30 C ATOM 235 NZ LYS A 17 30.581 -32.793 -8.420 1.00 54.03 N ATOM 0 H LYS A 17 30.630 -26.295 -7.029 1.00 13.33 H new ATOM 0 HA LYS A 17 30.078 -28.734 -8.547 1.00 23.20 H new ATOM 0 HB2 LYS A 17 30.780 -28.672 -6.092 1.00 63.14 H new ATOM 0 HB3 LYS A 17 29.228 -27.941 -5.737 1.00 63.14 H new ATOM 0 HG2 LYS A 17 28.709 -30.146 -5.346 1.00 74.12 H new ATOM 0 HG3 LYS A 17 28.277 -30.047 -7.042 1.00 74.12 H new ATOM 0 HD2 LYS A 17 31.111 -30.771 -6.338 1.00 61.55 H new ATOM 0 HD3 LYS A 17 29.866 -31.983 -6.109 1.00 61.55 H new ATOM 0 HE2 LYS A 17 29.158 -31.232 -8.580 1.00 11.30 H new ATOM 0 HE3 LYS A 17 30.827 -30.703 -8.657 1.00 11.30 H new ATOM 0 HZ1 LYS A 17 30.588 -32.966 -9.446 1.00 54.03 H new ATOM 0 HZ2 LYS A 17 31.537 -32.940 -8.037 1.00 54.03 H new ATOM 0 HZ3 LYS A 17 29.920 -33.453 -7.962 1.00 54.03 H new ATOM 249 N VAL A 18 28.125 -26.911 -9.307 1.00 15.44 N ATOM 250 CA VAL A 18 26.806 -26.498 -9.773 1.00 62.12 C ATOM 251 C VAL A 18 26.386 -27.292 -11.005 1.00 60.00 C ATOM 252 O VAL A 18 25.586 -26.823 -11.814 1.00 41.10 O ATOM 253 CB VAL A 18 26.775 -24.995 -10.109 1.00 73.32 C ATOM 254 CG1 VAL A 18 26.810 -24.163 -8.837 1.00 5.42 C ATOM 255 CG2 VAL A 18 27.931 -24.631 -11.028 1.00 3.35 C ATOM 0 H VAL A 18 28.897 -26.598 -9.895 1.00 15.44 H new ATOM 0 HA VAL A 18 26.106 -26.695 -8.961 1.00 62.12 H new ATOM 0 HB VAL A 18 25.844 -24.776 -10.631 1.00 73.32 H new ATOM 0 HG11 VAL A 18 26.787 -23.104 -9.094 1.00 5.42 H new ATOM 0 HG12 VAL A 18 25.945 -24.405 -8.220 1.00 5.42 H new ATOM 0 HG13 VAL A 18 27.723 -24.383 -8.284 1.00 5.42 H new ATOM 0 HG21 VAL A 18 27.894 -23.566 -11.255 1.00 3.35 H new ATOM 0 HG22 VAL A 18 28.875 -24.864 -10.535 1.00 3.35 H new ATOM 0 HG23 VAL A 18 27.854 -25.202 -11.953 1.00 3.35 H new ATOM 265 N GLN A 19 26.931 -28.497 -11.140 1.00 12.11 N ATOM 266 CA GLN A 19 26.612 -29.356 -12.274 1.00 30.20 C ATOM 267 C GLN A 19 26.142 -30.728 -11.802 1.00 61.32 C ATOM 268 O GLN A 19 26.577 -31.221 -10.762 1.00 45.13 O ATOM 269 CB GLN A 19 27.831 -29.507 -13.185 1.00 63.02 C ATOM 270 CG GLN A 19 28.938 -30.359 -12.585 1.00 32.12 C ATOM 271 CD GLN A 19 30.082 -30.595 -13.551 1.00 1.03 C ATOM 272 OE1 GLN A 19 30.254 -31.698 -14.070 1.00 22.32 O ATOM 273 NE2 GLN A 19 30.872 -29.557 -13.798 1.00 3.23 N ATOM 0 H GLN A 19 27.595 -28.900 -10.479 1.00 12.11 H new ATOM 0 HA GLN A 19 25.803 -28.888 -12.836 1.00 30.20 H new ATOM 0 HB2 GLN A 19 27.515 -29.949 -14.130 1.00 63.02 H new ATOM 0 HB3 GLN A 19 28.228 -28.518 -13.413 1.00 63.02 H new ATOM 0 HG2 GLN A 19 29.320 -29.872 -11.688 1.00 32.12 H new ATOM 0 HG3 GLN A 19 28.525 -31.319 -12.276 1.00 32.12 H new ATOM 0 HE21 GLN A 19 30.693 -28.661 -13.346 1.00 3.23 H new ATOM 0 HE22 GLN A 19 31.658 -29.656 -14.440 1.00 3.23 H new ATOM 282 N GLY A 20 25.250 -31.341 -12.574 1.00 53.25 N ATOM 283 CA GLY A 20 24.735 -32.650 -12.218 1.00 62.25 C ATOM 284 C GLY A 20 24.193 -32.695 -10.804 1.00 30.13 C ATOM 285 O GLY A 20 24.303 -33.713 -10.121 1.00 24.34 O ATOM 0 H GLY A 20 24.875 -30.954 -13.440 1.00 53.25 H new ATOM 0 HA2 GLY A 20 23.945 -32.928 -12.916 1.00 62.25 H new ATOM 0 HA3 GLY A 20 25.528 -33.390 -12.323 1.00 62.25 H new ATOM 289 N VAL A 21 23.606 -31.587 -10.361 1.00 23.41 N ATOM 290 CA VAL A 21 23.045 -31.504 -9.018 1.00 4.12 C ATOM 291 C VAL A 21 21.607 -30.999 -9.053 1.00 63.02 C ATOM 292 O VAL A 21 21.252 -30.161 -9.882 1.00 64.04 O ATOM 293 CB VAL A 21 23.882 -30.576 -8.117 1.00 13.30 C ATOM 294 CG1 VAL A 21 23.990 -29.189 -8.733 1.00 63.31 C ATOM 295 CG2 VAL A 21 23.279 -30.503 -6.722 1.00 52.32 C ATOM 0 H VAL A 21 23.507 -30.735 -10.913 1.00 23.41 H new ATOM 0 HA VAL A 21 23.062 -32.512 -8.605 1.00 4.12 H new ATOM 0 HB VAL A 21 24.887 -30.989 -8.033 1.00 13.30 H new ATOM 0 HG11 VAL A 21 24.585 -28.547 -8.083 1.00 63.31 H new ATOM 0 HG12 VAL A 21 24.470 -29.261 -9.709 1.00 63.31 H new ATOM 0 HG13 VAL A 21 22.993 -28.764 -8.849 1.00 63.31 H new ATOM 0 HG21 VAL A 21 23.883 -29.843 -6.099 1.00 52.32 H new ATOM 0 HG22 VAL A 21 22.263 -30.113 -6.785 1.00 52.32 H new ATOM 0 HG23 VAL A 21 23.259 -31.500 -6.282 1.00 52.32 H new ATOM 305 N PHE A 22 20.783 -31.514 -8.147 1.00 73.13 N ATOM 306 CA PHE A 22 19.382 -31.116 -8.075 1.00 12.04 C ATOM 307 C PHE A 22 19.212 -29.882 -7.194 1.00 1.33 C ATOM 308 O PHE A 22 18.757 -29.976 -6.054 1.00 20.54 O ATOM 309 CB PHE A 22 18.530 -32.265 -7.531 1.00 25.30 C ATOM 310 CG PHE A 22 18.350 -33.392 -8.508 1.00 1.21 C ATOM 311 CD1 PHE A 22 17.947 -33.140 -9.809 1.00 50.24 C ATOM 312 CD2 PHE A 22 18.584 -34.703 -8.125 1.00 1.40 C ATOM 313 CE1 PHE A 22 17.780 -34.175 -10.710 1.00 15.31 C ATOM 314 CE2 PHE A 22 18.419 -35.742 -9.021 1.00 52.34 C ATOM 315 CZ PHE A 22 18.017 -35.477 -10.316 1.00 31.11 C ATOM 0 H PHE A 22 21.061 -32.208 -7.453 1.00 73.13 H new ATOM 0 HA PHE A 22 19.048 -30.871 -9.083 1.00 12.04 H new ATOM 0 HB2 PHE A 22 18.993 -32.652 -6.623 1.00 25.30 H new ATOM 0 HB3 PHE A 22 17.550 -31.879 -7.249 1.00 25.30 H new ATOM 0 HD1 PHE A 22 17.761 -32.124 -10.123 1.00 50.24 H new ATOM 0 HD2 PHE A 22 18.899 -34.915 -7.114 1.00 1.40 H new ATOM 0 HE1 PHE A 22 17.464 -33.965 -11.721 1.00 15.31 H new ATOM 0 HE2 PHE A 22 18.604 -36.759 -8.710 1.00 52.34 H new ATOM 0 HZ PHE A 22 17.888 -36.287 -11.019 1.00 31.11 H new ATOM 325 N PHE A 23 19.582 -28.724 -7.731 1.00 1.35 N ATOM 326 CA PHE A 23 19.473 -27.470 -6.994 1.00 11.11 C ATOM 327 C PHE A 23 18.476 -26.530 -7.665 1.00 43.43 C ATOM 328 O PHE A 23 17.892 -25.662 -7.017 1.00 14.22 O ATOM 329 CB PHE A 23 20.841 -26.793 -6.892 1.00 42.21 C ATOM 330 CG PHE A 23 21.298 -26.167 -8.179 1.00 72.30 C ATOM 331 CD1 PHE A 23 21.709 -26.957 -9.241 1.00 14.21 C ATOM 332 CD2 PHE A 23 21.317 -24.790 -8.327 1.00 14.33 C ATOM 333 CE1 PHE A 23 22.129 -26.384 -10.427 1.00 30.52 C ATOM 334 CE2 PHE A 23 21.735 -24.212 -9.510 1.00 45.21 C ATOM 335 CZ PHE A 23 22.143 -25.010 -10.561 1.00 64.00 C ATOM 0 H PHE A 23 19.960 -28.628 -8.674 1.00 1.35 H new ATOM 0 HA PHE A 23 19.113 -27.697 -5.991 1.00 11.11 H new ATOM 0 HB2 PHE A 23 20.801 -26.026 -6.118 1.00 42.21 H new ATOM 0 HB3 PHE A 23 21.579 -27.529 -6.573 1.00 42.21 H new ATOM 0 HD1 PHE A 23 21.701 -28.032 -9.141 1.00 14.21 H new ATOM 0 HD2 PHE A 23 21.001 -24.161 -7.508 1.00 14.33 H new ATOM 0 HE1 PHE A 23 22.446 -27.010 -11.248 1.00 30.52 H new ATOM 0 HE2 PHE A 23 21.743 -23.137 -9.613 1.00 45.21 H new ATOM 0 HZ PHE A 23 22.472 -24.560 -11.486 1.00 64.00 H new ATOM 345 N ARG A 24 18.289 -26.709 -8.969 1.00 12.32 N ATOM 346 CA ARG A 24 17.365 -25.876 -9.729 1.00 51.23 C ATOM 347 C ARG A 24 15.992 -25.839 -9.064 1.00 22.22 C ATOM 348 O ARG A 24 15.334 -24.799 -9.029 1.00 63.12 O ATOM 349 CB ARG A 24 17.235 -26.397 -11.162 1.00 24.45 C ATOM 350 CG ARG A 24 16.812 -27.855 -11.243 1.00 40.10 C ATOM 351 CD ARG A 24 17.290 -28.502 -12.533 1.00 71.53 C ATOM 352 NE ARG A 24 16.909 -29.910 -12.613 1.00 73.01 N ATOM 353 CZ ARG A 24 17.181 -30.687 -13.655 1.00 64.32 C ATOM 354 NH1 ARG A 24 17.834 -30.196 -14.700 1.00 30.52 N ATOM 355 NH2 ARG A 24 16.801 -31.959 -13.654 1.00 5.34 N ATOM 0 H ARG A 24 18.765 -27.423 -9.521 1.00 12.32 H new ATOM 0 HA ARG A 24 17.766 -24.863 -9.753 1.00 51.23 H new ATOM 0 HB2 ARG A 24 16.508 -25.786 -11.697 1.00 24.45 H new ATOM 0 HB3 ARG A 24 18.191 -26.276 -11.672 1.00 24.45 H new ATOM 0 HG2 ARG A 24 17.216 -28.400 -10.390 1.00 40.10 H new ATOM 0 HG3 ARG A 24 15.726 -27.924 -11.181 1.00 40.10 H new ATOM 0 HD2 ARG A 24 16.873 -27.965 -13.384 1.00 71.53 H new ATOM 0 HD3 ARG A 24 18.374 -28.415 -12.602 1.00 71.53 H new ATOM 0 HE ARG A 24 16.406 -30.319 -11.825 1.00 73.01 H new ATOM 0 HH11 ARG A 24 18.129 -29.219 -14.704 1.00 30.52 H new ATOM 0 HH12 ARG A 24 18.042 -30.795 -15.499 1.00 30.52 H new ATOM 0 HH21 ARG A 24 16.299 -32.341 -12.852 1.00 5.34 H new ATOM 0 HH22 ARG A 24 17.011 -32.555 -14.455 1.00 5.34 H new ATOM 369 N LYS A 25 15.565 -26.982 -8.537 1.00 4.22 N ATOM 370 CA LYS A 25 14.272 -27.082 -7.871 1.00 52.15 C ATOM 371 C LYS A 25 14.141 -26.029 -6.775 1.00 73.25 C ATOM 372 O LYS A 25 13.100 -25.385 -6.641 1.00 33.24 O ATOM 373 CB LYS A 25 14.089 -28.479 -7.275 1.00 75.55 C ATOM 374 CG LYS A 25 12.636 -28.849 -7.027 1.00 24.11 C ATOM 375 CD LYS A 25 12.184 -28.428 -5.639 1.00 55.10 C ATOM 376 CE LYS A 25 12.646 -29.415 -4.578 1.00 74.23 C ATOM 377 NZ LYS A 25 11.740 -30.594 -4.485 1.00 52.51 N ATOM 0 H LYS A 25 16.096 -27.852 -8.558 1.00 4.22 H new ATOM 0 HA LYS A 25 13.494 -26.906 -8.614 1.00 52.15 H new ATOM 0 HB2 LYS A 25 14.532 -29.213 -7.948 1.00 75.55 H new ATOM 0 HB3 LYS A 25 14.636 -28.538 -6.334 1.00 75.55 H new ATOM 0 HG2 LYS A 25 12.005 -28.372 -7.777 1.00 24.11 H new ATOM 0 HG3 LYS A 25 12.509 -29.925 -7.141 1.00 24.11 H new ATOM 0 HD2 LYS A 25 12.578 -27.437 -5.412 1.00 55.10 H new ATOM 0 HD3 LYS A 25 11.097 -28.351 -5.617 1.00 55.10 H new ATOM 0 HE2 LYS A 25 13.657 -29.751 -4.810 1.00 74.23 H new ATOM 0 HE3 LYS A 25 12.691 -28.914 -3.611 1.00 74.23 H new ATOM 0 HZ1 LYS A 25 12.089 -31.243 -3.751 1.00 52.51 H new ATOM 0 HZ2 LYS A 25 10.781 -30.276 -4.239 1.00 52.51 H new ATOM 0 HZ3 LYS A 25 11.717 -31.087 -5.400 1.00 52.51 H new ATOM 391 N HIS A 26 15.203 -25.858 -5.995 1.00 43.14 N ATOM 392 CA HIS A 26 15.207 -24.881 -4.912 1.00 61.12 C ATOM 393 C HIS A 26 15.117 -23.461 -5.461 1.00 51.54 C ATOM 394 O HIS A 26 14.617 -22.555 -4.793 1.00 33.10 O ATOM 395 CB HIS A 26 16.470 -25.033 -4.064 1.00 63.33 C ATOM 396 CG HIS A 26 16.321 -24.513 -2.668 1.00 13.31 C ATOM 397 ND1 HIS A 26 17.392 -24.125 -1.890 1.00 74.15 N ATOM 398 CD2 HIS A 26 15.217 -24.315 -1.910 1.00 74.13 C ATOM 399 CE1 HIS A 26 16.953 -23.713 -0.714 1.00 72.25 C ATOM 400 NE2 HIS A 26 15.636 -23.818 -0.701 1.00 2.00 N ATOM 0 H HIS A 26 16.072 -26.383 -6.092 1.00 43.14 H new ATOM 0 HA HIS A 26 14.334 -25.066 -4.286 1.00 61.12 H new ATOM 0 HB2 HIS A 26 16.745 -26.087 -4.023 1.00 63.33 H new ATOM 0 HB3 HIS A 26 17.291 -24.508 -4.553 1.00 63.33 H new ATOM 0 HD2 HIS A 26 14.196 -24.512 -2.202 1.00 74.13 H new ATOM 0 HE1 HIS A 26 17.566 -23.352 0.098 1.00 72.25 H new ATOM 0 HE2 HIS A 26 15.029 -23.570 0.080 1.00 2.00 H new ATOM 408 N THR A 27 15.605 -23.271 -6.683 1.00 61.45 N ATOM 409 CA THR A 27 15.582 -21.961 -7.322 1.00 35.43 C ATOM 410 C THR A 27 14.167 -21.582 -7.745 1.00 43.43 C ATOM 411 O THR A 27 13.773 -20.420 -7.651 1.00 0.41 O ATOM 412 CB THR A 27 16.503 -21.921 -8.555 1.00 41.33 C ATOM 413 OG1 THR A 27 17.851 -22.211 -8.170 1.00 21.25 O ATOM 414 CG2 THR A 27 16.445 -20.558 -9.229 1.00 65.11 C ATOM 0 H THR A 27 16.022 -24.009 -7.251 1.00 61.45 H new ATOM 0 HA THR A 27 15.943 -21.243 -6.586 1.00 35.43 H new ATOM 0 HB THR A 27 16.158 -22.675 -9.263 1.00 41.33 H new ATOM 0 HG1 THR A 27 18.430 -22.185 -8.960 1.00 21.25 H new ATOM 0 HG21 THR A 27 17.104 -20.553 -10.098 1.00 65.11 H new ATOM 0 HG22 THR A 27 15.423 -20.353 -9.547 1.00 65.11 H new ATOM 0 HG23 THR A 27 16.767 -19.790 -8.525 1.00 65.11 H new ATOM 422 N GLN A 28 13.409 -22.569 -8.211 1.00 51.43 N ATOM 423 CA GLN A 28 12.038 -22.336 -8.649 1.00 73.23 C ATOM 424 C GLN A 28 11.118 -22.096 -7.456 1.00 64.52 C ATOM 425 O GLN A 28 10.162 -21.327 -7.542 1.00 51.00 O ATOM 426 CB GLN A 28 11.532 -23.526 -9.467 1.00 23.45 C ATOM 427 CG GLN A 28 10.044 -23.467 -9.772 1.00 45.54 C ATOM 428 CD GLN A 28 9.198 -24.080 -8.675 1.00 31.42 C ATOM 429 OE1 GLN A 28 9.375 -25.245 -8.316 1.00 71.13 O ATOM 430 NE2 GLN A 28 8.271 -23.298 -8.134 1.00 60.22 N ATOM 0 H GLN A 28 13.721 -23.537 -8.295 1.00 51.43 H new ATOM 0 HA GLN A 28 12.030 -21.444 -9.275 1.00 73.23 H new ATOM 0 HB2 GLN A 28 12.085 -23.573 -10.405 1.00 23.45 H new ATOM 0 HB3 GLN A 28 11.747 -24.447 -8.924 1.00 23.45 H new ATOM 0 HG2 GLN A 28 9.748 -22.428 -9.916 1.00 45.54 H new ATOM 0 HG3 GLN A 28 9.848 -23.987 -10.710 1.00 45.54 H new ATOM 0 HE21 GLN A 28 8.158 -22.339 -8.462 1.00 60.22 H new ATOM 0 HE22 GLN A 28 7.672 -23.657 -7.391 1.00 60.22 H new ATOM 439 N ALA A 29 11.415 -22.761 -6.344 1.00 51.01 N ATOM 440 CA ALA A 29 10.616 -22.619 -5.133 1.00 41.32 C ATOM 441 C ALA A 29 10.985 -21.346 -4.379 1.00 31.05 C ATOM 442 O ALA A 29 10.115 -20.556 -4.014 1.00 52.14 O ATOM 443 CB ALA A 29 10.794 -23.836 -4.238 1.00 12.13 C ATOM 0 H ALA A 29 12.203 -23.403 -6.257 1.00 51.01 H new ATOM 0 HA ALA A 29 9.568 -22.547 -5.424 1.00 41.32 H new ATOM 0 HB1 ALA A 29 10.192 -23.717 -3.337 1.00 12.13 H new ATOM 0 HB2 ALA A 29 10.474 -24.731 -4.772 1.00 12.13 H new ATOM 0 HB3 ALA A 29 11.844 -23.934 -3.962 1.00 12.13 H new ATOM 449 N GLU A 30 12.280 -21.155 -4.147 1.00 30.24 N ATOM 450 CA GLU A 30 12.762 -19.978 -3.433 1.00 63.34 C ATOM 451 C GLU A 30 12.250 -18.698 -4.087 1.00 62.12 C ATOM 452 O GLU A 30 12.076 -17.676 -3.424 1.00 64.34 O ATOM 453 CB GLU A 30 14.292 -19.968 -3.396 1.00 71.42 C ATOM 454 CG GLU A 30 14.931 -19.602 -4.725 1.00 73.54 C ATOM 455 CD GLU A 30 16.444 -19.691 -4.689 1.00 60.24 C ATOM 456 OE1 GLU A 30 16.968 -20.619 -4.038 1.00 71.22 O ATOM 457 OE2 GLU A 30 17.104 -18.833 -5.312 1.00 22.24 O ATOM 0 H GLU A 30 13.013 -21.799 -4.443 1.00 30.24 H new ATOM 0 HA GLU A 30 12.381 -20.022 -2.413 1.00 63.34 H new ATOM 0 HB2 GLU A 30 14.624 -19.261 -2.636 1.00 71.42 H new ATOM 0 HB3 GLU A 30 14.646 -20.953 -3.091 1.00 71.42 H new ATOM 0 HG2 GLU A 30 14.550 -20.265 -5.502 1.00 73.54 H new ATOM 0 HG3 GLU A 30 14.637 -18.589 -4.998 1.00 73.54 H new ATOM 464 N GLY A 31 12.011 -18.762 -5.394 1.00 30.34 N ATOM 465 CA GLY A 31 11.522 -17.603 -6.116 1.00 41.51 C ATOM 466 C GLY A 31 10.221 -17.072 -5.548 1.00 52.32 C ATOM 467 O GLY A 31 9.874 -15.908 -5.753 1.00 33.41 O ATOM 0 H GLY A 31 12.148 -19.596 -5.965 1.00 30.34 H new ATOM 0 HA2 GLY A 31 12.276 -16.816 -6.087 1.00 41.51 H new ATOM 0 HA3 GLY A 31 11.377 -17.866 -7.164 1.00 41.51 H new ATOM 471 N LYS A 32 9.497 -17.926 -4.833 1.00 70.32 N ATOM 472 CA LYS A 32 8.226 -17.538 -4.234 1.00 32.33 C ATOM 473 C LYS A 32 8.449 -16.725 -2.963 1.00 24.44 C ATOM 474 O LYS A 32 7.687 -15.808 -2.658 1.00 10.04 O ATOM 475 CB LYS A 32 7.388 -18.779 -3.917 1.00 72.23 C ATOM 476 CG LYS A 32 6.145 -18.481 -3.097 1.00 12.31 C ATOM 477 CD LYS A 32 5.386 -19.751 -2.752 1.00 23.24 C ATOM 478 CE LYS A 32 5.866 -20.347 -1.437 1.00 14.44 C ATOM 479 NZ LYS A 32 4.793 -21.124 -0.756 1.00 62.01 N ATOM 0 H LYS A 32 9.769 -18.893 -4.654 1.00 70.32 H new ATOM 0 HA LYS A 32 7.689 -16.918 -4.952 1.00 32.33 H new ATOM 0 HB2 LYS A 32 7.091 -19.255 -4.852 1.00 72.23 H new ATOM 0 HB3 LYS A 32 8.006 -19.496 -3.377 1.00 72.23 H new ATOM 0 HG2 LYS A 32 6.428 -17.965 -2.180 1.00 12.31 H new ATOM 0 HG3 LYS A 32 5.494 -17.807 -3.654 1.00 12.31 H new ATOM 0 HD2 LYS A 32 4.320 -19.533 -2.686 1.00 23.24 H new ATOM 0 HD3 LYS A 32 5.513 -20.481 -3.552 1.00 23.24 H new ATOM 0 HE2 LYS A 32 6.722 -20.996 -1.623 1.00 14.44 H new ATOM 0 HE3 LYS A 32 6.209 -19.548 -0.780 1.00 14.44 H new ATOM 0 HZ1 LYS A 32 5.159 -21.514 0.136 1.00 62.01 H new ATOM 0 HZ2 LYS A 32 3.986 -20.499 -0.555 1.00 62.01 H new ATOM 0 HZ3 LYS A 32 4.483 -21.902 -1.373 1.00 62.01 H new ATOM 493 N LYS A 33 9.500 -17.067 -2.225 1.00 4.43 N ATOM 494 CA LYS A 33 9.827 -16.367 -0.988 1.00 31.13 C ATOM 495 C LYS A 33 9.984 -14.870 -1.234 1.00 64.14 C ATOM 496 O LYS A 33 9.788 -14.057 -0.330 1.00 34.40 O ATOM 497 CB LYS A 33 11.113 -16.933 -0.382 1.00 23.10 C ATOM 498 CG LYS A 33 10.878 -18.087 0.577 1.00 34.11 C ATOM 499 CD LYS A 33 12.181 -18.594 1.171 1.00 2.41 C ATOM 500 CE LYS A 33 11.953 -19.802 2.067 1.00 43.24 C ATOM 501 NZ LYS A 33 11.329 -20.932 1.325 1.00 72.12 N ATOM 0 H LYS A 33 10.140 -17.825 -2.462 1.00 4.43 H new ATOM 0 HA LYS A 33 9.006 -16.517 -0.287 1.00 31.13 H new ATOM 0 HB2 LYS A 33 11.767 -17.268 -1.187 1.00 23.10 H new ATOM 0 HB3 LYS A 33 11.638 -16.136 0.144 1.00 23.10 H new ATOM 0 HG2 LYS A 33 10.213 -17.765 1.378 1.00 34.11 H new ATOM 0 HG3 LYS A 33 10.376 -18.900 0.053 1.00 34.11 H new ATOM 0 HD2 LYS A 33 12.869 -18.860 0.368 1.00 2.41 H new ATOM 0 HD3 LYS A 33 12.654 -17.798 1.746 1.00 2.41 H new ATOM 0 HE2 LYS A 33 12.904 -20.126 2.489 1.00 43.24 H new ATOM 0 HE3 LYS A 33 11.313 -19.519 2.903 1.00 43.24 H new ATOM 0 HZ1 LYS A 33 11.450 -21.812 1.866 1.00 72.12 H new ATOM 0 HZ2 LYS A 33 10.315 -20.743 1.193 1.00 72.12 H new ATOM 0 HZ3 LYS A 33 11.786 -21.032 0.396 1.00 72.12 H new ATOM 515 N LEU A 34 10.339 -14.512 -2.464 1.00 12.15 N ATOM 516 CA LEU A 34 10.521 -13.112 -2.830 1.00 0.42 C ATOM 517 C LEU A 34 9.424 -12.651 -3.785 1.00 25.41 C ATOM 518 O LEU A 34 8.723 -11.676 -3.518 1.00 25.31 O ATOM 519 CB LEU A 34 11.893 -12.907 -3.474 1.00 3.00 C ATOM 520 CG LEU A 34 13.074 -12.778 -2.511 1.00 63.43 C ATOM 521 CD1 LEU A 34 12.870 -11.602 -1.569 1.00 74.14 C ATOM 522 CD2 LEU A 34 13.264 -14.067 -1.725 1.00 32.24 C ATOM 0 H LEU A 34 10.506 -15.172 -3.224 1.00 12.15 H new ATOM 0 HA LEU A 34 10.460 -12.514 -1.921 1.00 0.42 H new ATOM 0 HB2 LEU A 34 12.086 -13.745 -4.144 1.00 3.00 H new ATOM 0 HB3 LEU A 34 11.852 -12.009 -4.090 1.00 3.00 H new ATOM 0 HG LEU A 34 13.976 -12.596 -3.095 1.00 63.43 H new ATOM 0 HD11 LEU A 34 13.721 -11.527 -0.892 1.00 74.14 H new ATOM 0 HD12 LEU A 34 12.785 -10.683 -2.148 1.00 74.14 H new ATOM 0 HD13 LEU A 34 11.958 -11.753 -0.991 1.00 74.14 H new ATOM 0 HD21 LEU A 34 14.109 -13.957 -1.045 1.00 32.24 H new ATOM 0 HD22 LEU A 34 12.362 -14.280 -1.152 1.00 32.24 H new ATOM 0 HD23 LEU A 34 13.458 -14.888 -2.415 1.00 32.24 H new ATOM 534 N GLY A 35 9.281 -13.362 -4.900 1.00 33.15 N ATOM 535 CA GLY A 35 8.266 -13.013 -5.877 1.00 1.45 C ATOM 536 C GLY A 35 8.862 -12.527 -7.183 1.00 21.20 C ATOM 537 O GLY A 35 8.777 -11.343 -7.511 1.00 75.12 O ATOM 0 H GLY A 35 9.850 -14.173 -5.144 1.00 33.15 H new ATOM 0 HA2 GLY A 35 7.637 -13.882 -6.069 1.00 1.45 H new ATOM 0 HA3 GLY A 35 7.621 -12.237 -5.465 1.00 1.45 H new ATOM 541 N LEU A 36 9.469 -13.442 -7.930 1.00 63.44 N ATOM 542 CA LEU A 36 10.084 -13.101 -9.209 1.00 21.24 C ATOM 543 C LEU A 36 9.974 -14.261 -10.193 1.00 30.33 C ATOM 544 O LEU A 36 9.374 -15.292 -9.889 1.00 31.33 O ATOM 545 CB LEU A 36 11.553 -12.727 -9.006 1.00 44.34 C ATOM 546 CG LEU A 36 12.385 -13.700 -8.170 1.00 10.43 C ATOM 547 CD1 LEU A 36 13.843 -13.661 -8.599 1.00 64.21 C ATOM 548 CD2 LEU A 36 12.254 -13.376 -6.689 1.00 4.24 C ATOM 0 H LEU A 36 9.549 -14.426 -7.673 1.00 63.44 H new ATOM 0 HA LEU A 36 9.551 -12.246 -9.624 1.00 21.24 H new ATOM 0 HB2 LEU A 36 12.021 -12.629 -9.986 1.00 44.34 H new ATOM 0 HB3 LEU A 36 11.595 -11.746 -8.533 1.00 44.34 H new ATOM 0 HG LEU A 36 12.006 -14.708 -8.336 1.00 10.43 H new ATOM 0 HD11 LEU A 36 14.419 -14.360 -7.993 1.00 64.21 H new ATOM 0 HD12 LEU A 36 13.921 -13.942 -9.649 1.00 64.21 H new ATOM 0 HD13 LEU A 36 14.236 -12.653 -8.463 1.00 64.21 H new ATOM 0 HD21 LEU A 36 12.852 -14.078 -6.109 1.00 4.24 H new ATOM 0 HD22 LEU A 36 12.607 -12.361 -6.506 1.00 4.24 H new ATOM 0 HD23 LEU A 36 11.209 -13.456 -6.390 1.00 4.24 H new ATOM 560 N VAL A 37 10.559 -14.087 -11.373 1.00 43.34 N ATOM 561 CA VAL A 37 10.530 -15.120 -12.401 1.00 61.24 C ATOM 562 C VAL A 37 11.939 -15.473 -12.866 1.00 75.11 C ATOM 563 O VAL A 37 12.925 -14.994 -12.310 1.00 5.23 O ATOM 564 CB VAL A 37 9.696 -14.678 -13.618 1.00 54.02 C ATOM 565 CG1 VAL A 37 8.288 -14.294 -13.189 1.00 75.42 C ATOM 566 CG2 VAL A 37 10.375 -13.524 -14.339 1.00 4.42 C ATOM 0 H VAL A 37 11.059 -13.240 -11.641 1.00 43.34 H new ATOM 0 HA VAL A 37 10.067 -15.999 -11.953 1.00 61.24 H new ATOM 0 HB VAL A 37 9.624 -15.517 -14.311 1.00 54.02 H new ATOM 0 HG11 VAL A 37 7.713 -13.984 -14.062 1.00 75.42 H new ATOM 0 HG12 VAL A 37 7.804 -15.151 -12.721 1.00 75.42 H new ATOM 0 HG13 VAL A 37 8.337 -13.471 -12.476 1.00 75.42 H new ATOM 0 HG21 VAL A 37 9.772 -13.225 -15.196 1.00 4.42 H new ATOM 0 HG22 VAL A 37 10.480 -12.680 -13.657 1.00 4.42 H new ATOM 0 HG23 VAL A 37 11.361 -13.839 -14.681 1.00 4.42 H new ATOM 576 N GLY A 38 12.024 -16.315 -13.892 1.00 20.34 N ATOM 577 CA GLY A 38 13.316 -16.718 -14.415 1.00 23.23 C ATOM 578 C GLY A 38 13.325 -18.156 -14.895 1.00 54.23 C ATOM 579 O GLY A 38 12.291 -18.824 -14.893 1.00 55.32 O ATOM 0 H GLY A 38 11.221 -16.725 -14.370 1.00 20.34 H new ATOM 0 HA2 GLY A 38 13.591 -16.061 -15.240 1.00 23.23 H new ATOM 0 HA3 GLY A 38 14.073 -16.592 -13.641 1.00 23.23 H new ATOM 583 N TRP A 39 14.493 -18.632 -15.309 1.00 71.45 N ATOM 584 CA TRP A 39 14.631 -20.000 -15.797 1.00 34.20 C ATOM 585 C TRP A 39 16.046 -20.520 -15.568 1.00 15.11 C ATOM 586 O TRP A 39 17.024 -19.825 -15.842 1.00 24.24 O ATOM 587 CB TRP A 39 14.283 -20.071 -17.285 1.00 13.42 C ATOM 588 CG TRP A 39 15.327 -19.458 -18.169 1.00 32.15 C ATOM 589 CD1 TRP A 39 16.422 -20.081 -18.697 1.00 14.34 C ATOM 590 CD2 TRP A 39 15.375 -18.102 -18.625 1.00 51.11 C ATOM 591 NE1 TRP A 39 17.147 -19.193 -19.454 1.00 64.31 N ATOM 592 CE2 TRP A 39 16.526 -17.973 -19.427 1.00 11.11 C ATOM 593 CE3 TRP A 39 14.557 -16.985 -18.437 1.00 11.24 C ATOM 594 CZ2 TRP A 39 16.877 -16.771 -20.037 1.00 22.55 C ATOM 595 CZ3 TRP A 39 14.907 -15.793 -19.042 1.00 61.00 C ATOM 596 CH2 TRP A 39 16.058 -15.694 -19.835 1.00 3.12 C ATOM 0 H TRP A 39 15.358 -18.092 -15.317 1.00 71.45 H new ATOM 0 HA TRP A 39 13.938 -20.629 -15.239 1.00 34.20 H new ATOM 0 HB2 TRP A 39 14.144 -21.114 -17.569 1.00 13.42 H new ATOM 0 HB3 TRP A 39 13.332 -19.565 -17.453 1.00 13.42 H new ATOM 0 HD1 TRP A 39 16.680 -21.118 -18.542 1.00 14.34 H new ATOM 0 HE1 TRP A 39 18.009 -19.408 -19.955 1.00 64.31 H new ATOM 0 HE3 TRP A 39 13.667 -17.052 -17.829 1.00 11.24 H new ATOM 0 HZ2 TRP A 39 17.764 -16.692 -20.648 1.00 22.55 H new ATOM 0 HZ3 TRP A 39 14.283 -14.923 -18.901 1.00 61.00 H new ATOM 0 HH2 TRP A 39 16.303 -14.749 -20.296 1.00 3.12 H new ATOM 607 N VAL A 40 16.147 -21.746 -15.064 1.00 50.15 N ATOM 608 CA VAL A 40 17.443 -22.359 -14.800 1.00 61.00 C ATOM 609 C VAL A 40 17.847 -23.299 -15.930 1.00 62.12 C ATOM 610 O VAL A 40 17.065 -24.151 -16.350 1.00 62.35 O ATOM 611 CB VAL A 40 17.433 -23.142 -13.474 1.00 23.50 C ATOM 612 CG1 VAL A 40 18.837 -23.607 -13.117 1.00 43.54 C ATOM 613 CG2 VAL A 40 16.844 -22.293 -12.358 1.00 41.01 C ATOM 0 H VAL A 40 15.347 -22.334 -14.830 1.00 50.15 H new ATOM 0 HA VAL A 40 18.168 -21.548 -14.729 1.00 61.00 H new ATOM 0 HB VAL A 40 16.805 -24.024 -13.598 1.00 23.50 H new ATOM 0 HG11 VAL A 40 18.810 -24.158 -12.177 1.00 43.54 H new ATOM 0 HG12 VAL A 40 19.218 -24.255 -13.907 1.00 43.54 H new ATOM 0 HG13 VAL A 40 19.491 -22.741 -13.011 1.00 43.54 H new ATOM 0 HG21 VAL A 40 16.845 -22.862 -11.429 1.00 41.01 H new ATOM 0 HG22 VAL A 40 17.443 -21.391 -12.232 1.00 41.01 H new ATOM 0 HG23 VAL A 40 15.821 -22.016 -12.613 1.00 41.01 H new ATOM 623 N GLN A 41 19.073 -23.138 -16.417 1.00 3.40 N ATOM 624 CA GLN A 41 19.581 -23.972 -17.499 1.00 61.52 C ATOM 625 C GLN A 41 21.100 -24.092 -17.428 1.00 31.34 C ATOM 626 O GLN A 41 21.792 -23.134 -17.087 1.00 62.04 O ATOM 627 CB GLN A 41 19.166 -23.396 -18.854 1.00 45.10 C ATOM 628 CG GLN A 41 19.221 -24.407 -19.988 1.00 34.12 C ATOM 629 CD GLN A 41 19.353 -23.752 -21.348 1.00 54.24 C ATOM 630 OE1 GLN A 41 18.381 -23.228 -21.895 1.00 23.21 O ATOM 631 NE2 GLN A 41 20.559 -23.777 -21.904 1.00 34.24 N ATOM 0 H GLN A 41 19.733 -22.437 -16.079 1.00 3.40 H new ATOM 0 HA GLN A 41 19.151 -24.967 -17.388 1.00 61.52 H new ATOM 0 HB2 GLN A 41 18.152 -23.003 -18.777 1.00 45.10 H new ATOM 0 HB3 GLN A 41 19.816 -22.555 -19.096 1.00 45.10 H new ATOM 0 HG2 GLN A 41 20.064 -25.079 -19.830 1.00 34.12 H new ATOM 0 HG3 GLN A 41 18.318 -25.018 -19.969 1.00 34.12 H new ATOM 0 HE21 GLN A 41 21.336 -24.222 -21.416 1.00 34.24 H new ATOM 0 HE22 GLN A 41 20.708 -23.351 -22.819 1.00 34.24 H new ATOM 640 N ASN A 42 21.611 -25.276 -17.750 1.00 40.02 N ATOM 641 CA ASN A 42 23.048 -25.521 -17.721 1.00 63.34 C ATOM 642 C ASN A 42 23.663 -25.315 -19.102 1.00 42.23 C ATOM 643 O ASN A 42 23.466 -26.124 -20.010 1.00 4.22 O ATOM 644 CB ASN A 42 23.335 -26.942 -17.231 1.00 15.03 C ATOM 645 CG ASN A 42 24.738 -27.401 -17.575 1.00 42.04 C ATOM 646 OD1 ASN A 42 25.719 -26.907 -17.019 1.00 50.11 O ATOM 647 ND2 ASN A 42 24.840 -28.351 -18.498 1.00 0.12 N ATOM 0 H ASN A 42 21.051 -26.080 -18.034 1.00 40.02 H new ATOM 0 HA ASN A 42 23.499 -24.807 -17.031 1.00 63.34 H new ATOM 0 HB2 ASN A 42 23.196 -26.986 -16.151 1.00 15.03 H new ATOM 0 HB3 ASN A 42 22.613 -27.628 -17.673 1.00 15.03 H new ATOM 0 HD21 ASN A 42 25.759 -28.700 -18.772 1.00 0.12 H new ATOM 0 HD22 ASN A 42 24.000 -28.732 -18.933 1.00 0.12 H new ATOM 654 N THR A 43 24.410 -24.226 -19.255 1.00 1.42 N ATOM 655 CA THR A 43 25.054 -23.912 -20.524 1.00 54.32 C ATOM 656 C THR A 43 25.863 -25.097 -21.038 1.00 41.31 C ATOM 657 O THR A 43 26.163 -26.027 -20.290 1.00 33.32 O ATOM 658 CB THR A 43 25.981 -22.688 -20.397 1.00 35.03 C ATOM 659 OG1 THR A 43 27.133 -23.026 -19.617 1.00 1.31 O ATOM 660 CG2 THR A 43 25.250 -21.520 -19.751 1.00 74.43 C ATOM 0 H THR A 43 24.584 -23.546 -18.515 1.00 1.42 H new ATOM 0 HA THR A 43 24.259 -23.683 -21.233 1.00 54.32 H new ATOM 0 HB THR A 43 26.294 -22.391 -21.398 1.00 35.03 H new ATOM 0 HG1 THR A 43 26.848 -23.357 -18.740 1.00 1.31 H new ATOM 0 HG21 THR A 43 25.925 -20.667 -19.672 1.00 74.43 H new ATOM 0 HG22 THR A 43 24.390 -21.247 -20.362 1.00 74.43 H new ATOM 0 HG23 THR A 43 24.911 -21.808 -18.756 1.00 74.43 H new ATOM 668 N ASP A 44 26.215 -25.056 -22.318 1.00 71.15 N ATOM 669 CA ASP A 44 26.992 -26.127 -22.932 1.00 41.42 C ATOM 670 C ASP A 44 28.478 -25.781 -22.945 1.00 32.03 C ATOM 671 O ASP A 44 29.224 -26.236 -23.812 1.00 32.31 O ATOM 672 CB ASP A 44 26.504 -26.387 -24.358 1.00 42.23 C ATOM 673 CG ASP A 44 24.992 -26.431 -24.454 1.00 11.21 C ATOM 674 OD1 ASP A 44 24.407 -27.484 -24.125 1.00 34.04 O ATOM 675 OD2 ASP A 44 24.393 -25.412 -24.857 1.00 44.10 O ATOM 0 H ASP A 44 25.975 -24.293 -22.951 1.00 71.15 H new ATOM 0 HA ASP A 44 26.852 -27.030 -22.338 1.00 41.42 H new ATOM 0 HB2 ASP A 44 26.884 -25.606 -25.017 1.00 42.23 H new ATOM 0 HB3 ASP A 44 26.915 -27.332 -24.713 1.00 42.23 H new ATOM 680 N ARG A 45 28.900 -24.973 -21.978 1.00 43.20 N ATOM 681 CA ARG A 45 30.296 -24.564 -21.879 1.00 64.33 C ATOM 682 C ARG A 45 30.940 -25.128 -20.616 1.00 31.40 C ATOM 683 O ARG A 45 32.135 -25.418 -20.592 1.00 62.42 O ATOM 684 CB ARG A 45 30.405 -23.038 -21.882 1.00 72.41 C ATOM 685 CG ARG A 45 31.697 -22.521 -22.493 1.00 11.32 C ATOM 686 CD ARG A 45 31.560 -22.313 -23.993 1.00 13.51 C ATOM 687 NE ARG A 45 31.691 -23.564 -24.733 1.00 74.44 N ATOM 688 CZ ARG A 45 31.497 -23.667 -26.044 1.00 14.04 C ATOM 689 NH1 ARG A 45 31.165 -22.598 -26.754 1.00 3.53 N ATOM 690 NH2 ARG A 45 31.634 -24.841 -26.646 1.00 25.20 N ATOM 0 H ARG A 45 28.295 -24.589 -21.252 1.00 43.20 H new ATOM 0 HA ARG A 45 30.826 -24.961 -22.745 1.00 64.33 H new ATOM 0 HB2 ARG A 45 29.561 -22.623 -22.433 1.00 72.41 H new ATOM 0 HB3 ARG A 45 30.327 -22.675 -20.857 1.00 72.41 H new ATOM 0 HG2 ARG A 45 31.974 -21.580 -22.018 1.00 11.32 H new ATOM 0 HG3 ARG A 45 32.503 -23.228 -22.295 1.00 11.32 H new ATOM 0 HD2 ARG A 45 30.591 -21.864 -24.210 1.00 13.51 H new ATOM 0 HD3 ARG A 45 32.321 -21.610 -24.332 1.00 13.51 H new ATOM 0 HE ARG A 45 31.945 -24.406 -24.216 1.00 74.44 H new ATOM 0 HH11 ARG A 45 31.058 -21.694 -26.294 1.00 3.53 H new ATOM 0 HH12 ARG A 45 31.017 -22.680 -27.760 1.00 3.53 H new ATOM 0 HH21 ARG A 45 31.888 -25.666 -26.103 1.00 25.20 H new ATOM 0 HH22 ARG A 45 31.485 -24.919 -27.652 1.00 25.20 H new ATOM 704 N GLY A 46 30.138 -25.281 -19.567 1.00 14.35 N ATOM 705 CA GLY A 46 30.647 -25.809 -18.314 1.00 54.42 C ATOM 706 C GLY A 46 30.248 -24.960 -17.123 1.00 22.32 C ATOM 707 O GLY A 46 31.022 -24.800 -16.178 1.00 52.52 O ATOM 0 H GLY A 46 29.145 -25.049 -19.562 1.00 14.35 H new ATOM 0 HA2 GLY A 46 30.276 -26.824 -18.173 1.00 54.42 H new ATOM 0 HA3 GLY A 46 31.734 -25.871 -18.364 1.00 54.42 H new ATOM 711 N THR A 47 29.037 -24.413 -17.166 1.00 62.22 N ATOM 712 CA THR A 47 28.538 -23.574 -16.084 1.00 23.31 C ATOM 713 C THR A 47 27.019 -23.461 -16.132 1.00 50.50 C ATOM 714 O THR A 47 26.379 -23.947 -17.064 1.00 61.15 O ATOM 715 CB THR A 47 29.150 -22.162 -16.141 1.00 13.44 C ATOM 716 OG1 THR A 47 29.434 -21.805 -17.498 1.00 13.10 O ATOM 717 CG2 THR A 47 30.425 -22.090 -15.315 1.00 22.43 C ATOM 0 H THR A 47 28.383 -24.536 -17.939 1.00 62.22 H new ATOM 0 HA THR A 47 28.834 -24.052 -15.150 1.00 23.31 H new ATOM 0 HB THR A 47 28.427 -21.460 -15.725 1.00 13.44 H new ATOM 0 HG1 THR A 47 29.821 -20.905 -17.525 1.00 13.10 H new ATOM 0 HG21 THR A 47 30.838 -21.083 -15.371 1.00 22.43 H new ATOM 0 HG22 THR A 47 30.200 -22.333 -14.276 1.00 22.43 H new ATOM 0 HG23 THR A 47 31.152 -22.803 -15.705 1.00 22.43 H new ATOM 725 N VAL A 48 26.446 -22.814 -15.122 1.00 22.15 N ATOM 726 CA VAL A 48 25.001 -22.635 -15.050 1.00 1.42 C ATOM 727 C VAL A 48 24.638 -21.164 -14.881 1.00 54.33 C ATOM 728 O VAL A 48 25.033 -20.525 -13.906 1.00 53.04 O ATOM 729 CB VAL A 48 24.393 -23.439 -13.886 1.00 33.13 C ATOM 730 CG1 VAL A 48 22.890 -23.215 -13.809 1.00 42.40 C ATOM 731 CG2 VAL A 48 24.712 -24.919 -14.037 1.00 1.32 C ATOM 0 H VAL A 48 26.961 -22.405 -14.342 1.00 22.15 H new ATOM 0 HA VAL A 48 24.589 -23.003 -15.990 1.00 1.42 H new ATOM 0 HB VAL A 48 24.837 -23.088 -12.954 1.00 33.13 H new ATOM 0 HG11 VAL A 48 22.478 -23.791 -12.980 1.00 42.40 H new ATOM 0 HG12 VAL A 48 22.688 -22.156 -13.650 1.00 42.40 H new ATOM 0 HG13 VAL A 48 22.426 -23.537 -14.741 1.00 42.40 H new ATOM 0 HG21 VAL A 48 24.275 -25.472 -13.206 1.00 1.32 H new ATOM 0 HG22 VAL A 48 24.297 -25.287 -14.976 1.00 1.32 H new ATOM 0 HG23 VAL A 48 25.793 -25.060 -14.038 1.00 1.32 H new ATOM 741 N GLN A 49 23.882 -20.633 -15.838 1.00 23.14 N ATOM 742 CA GLN A 49 23.466 -19.236 -15.795 1.00 34.54 C ATOM 743 C GLN A 49 21.955 -19.124 -15.617 1.00 60.32 C ATOM 744 O GLN A 49 21.185 -19.597 -16.452 1.00 41.44 O ATOM 745 CB GLN A 49 23.896 -18.514 -17.073 1.00 20.44 C ATOM 746 CG GLN A 49 23.337 -19.138 -18.341 1.00 52.33 C ATOM 747 CD GLN A 49 23.968 -18.571 -19.597 1.00 42.45 C ATOM 748 OE1 GLN A 49 25.186 -18.404 -19.673 1.00 70.34 O ATOM 749 NE2 GLN A 49 23.141 -18.270 -20.592 1.00 65.22 N ATOM 0 H GLN A 49 23.546 -21.149 -16.651 1.00 23.14 H new ATOM 0 HA GLN A 49 23.951 -18.765 -14.940 1.00 34.54 H new ATOM 0 HB2 GLN A 49 23.576 -17.474 -17.018 1.00 20.44 H new ATOM 0 HB3 GLN A 49 24.985 -18.510 -17.129 1.00 20.44 H new ATOM 0 HG2 GLN A 49 23.498 -20.216 -18.313 1.00 52.33 H new ATOM 0 HG3 GLN A 49 22.259 -18.978 -18.376 1.00 52.33 H new ATOM 0 HE21 GLN A 49 22.138 -18.425 -20.486 1.00 65.22 H new ATOM 0 HE22 GLN A 49 23.509 -17.884 -21.462 1.00 65.22 H new ATOM 758 N GLY A 50 21.538 -18.496 -14.522 1.00 55.45 N ATOM 759 CA GLY A 50 20.120 -18.333 -14.255 1.00 64.31 C ATOM 760 C GLY A 50 19.654 -16.904 -14.447 1.00 41.15 C ATOM 761 O GLY A 50 19.783 -16.076 -13.546 1.00 65.21 O ATOM 0 H GLY A 50 22.156 -18.097 -13.815 1.00 55.45 H new ATOM 0 HA2 GLY A 50 19.552 -18.989 -14.915 1.00 64.31 H new ATOM 0 HA3 GLY A 50 19.908 -18.647 -13.233 1.00 64.31 H new ATOM 765 N GLN A 51 19.112 -16.613 -15.626 1.00 31.53 N ATOM 766 CA GLN A 51 18.627 -15.273 -15.934 1.00 24.15 C ATOM 767 C GLN A 51 17.495 -14.874 -14.993 1.00 21.31 C ATOM 768 O GLN A 51 16.344 -15.268 -15.188 1.00 2.51 O ATOM 769 CB GLN A 51 18.150 -15.201 -17.385 1.00 32.41 C ATOM 770 CG GLN A 51 18.268 -13.815 -17.996 1.00 52.34 C ATOM 771 CD GLN A 51 17.374 -12.798 -17.314 1.00 72.03 C ATOM 772 OE1 GLN A 51 17.979 -11.893 -16.554 1.00 44.13 O flip ATOM 773 NE2 GLN A 51 16.152 -12.826 -17.468 1.00 52.33 N flip ATOM 0 H GLN A 51 18.998 -17.287 -16.383 1.00 31.53 H new ATOM 0 HA GLN A 51 19.452 -14.575 -15.796 1.00 24.15 H new ATOM 0 HB2 GLN A 51 18.729 -15.904 -17.984 1.00 32.41 H new ATOM 0 HB3 GLN A 51 17.110 -15.523 -17.433 1.00 32.41 H new ATOM 0 HG2 GLN A 51 19.304 -13.482 -17.934 1.00 52.34 H new ATOM 0 HG3 GLN A 51 18.012 -13.866 -19.054 1.00 52.34 H new ATOM 0 HE21 GLN A 51 15.729 -13.540 -18.061 1.00 52.33 H new ATOM 0 HE22 GLN A 51 15.563 -12.136 -17.002 1.00 52.33 H new ATOM 782 N LEU A 52 17.828 -14.092 -13.972 1.00 44.14 N ATOM 783 CA LEU A 52 16.839 -13.640 -13.000 1.00 43.52 C ATOM 784 C LEU A 52 16.181 -12.342 -13.457 1.00 52.30 C ATOM 785 O LEU A 52 16.839 -11.463 -14.013 1.00 24.31 O ATOM 786 CB LEU A 52 17.494 -13.438 -11.633 1.00 23.55 C ATOM 787 CG LEU A 52 16.586 -13.634 -10.418 1.00 51.51 C ATOM 788 CD1 LEU A 52 16.140 -15.084 -10.312 1.00 50.45 C ATOM 789 CD2 LEU A 52 17.297 -13.198 -9.145 1.00 32.20 C ATOM 0 H LEU A 52 18.775 -13.758 -13.796 1.00 44.14 H new ATOM 0 HA LEU A 52 16.069 -14.407 -12.918 1.00 43.52 H new ATOM 0 HB2 LEU A 52 18.334 -14.128 -11.549 1.00 23.55 H new ATOM 0 HB3 LEU A 52 17.905 -12.429 -11.595 1.00 23.55 H new ATOM 0 HG LEU A 52 15.700 -13.012 -10.547 1.00 51.51 H new ATOM 0 HD11 LEU A 52 15.495 -15.204 -9.442 1.00 50.45 H new ATOM 0 HD12 LEU A 52 15.591 -15.362 -11.212 1.00 50.45 H new ATOM 0 HD13 LEU A 52 17.014 -15.727 -10.207 1.00 50.45 H new ATOM 0 HD21 LEU A 52 16.636 -13.344 -8.291 1.00 32.20 H new ATOM 0 HD22 LEU A 52 18.201 -13.793 -9.011 1.00 32.20 H new ATOM 0 HD23 LEU A 52 17.564 -12.144 -9.220 1.00 32.20 H new ATOM 801 N GLN A 53 14.879 -12.228 -13.217 1.00 35.44 N ATOM 802 CA GLN A 53 14.132 -11.037 -13.602 1.00 52.13 C ATOM 803 C GLN A 53 13.172 -10.613 -12.495 1.00 24.50 C ATOM 804 O GLN A 53 12.390 -11.421 -11.995 1.00 44.11 O ATOM 805 CB GLN A 53 13.356 -11.292 -14.896 1.00 10.13 C ATOM 806 CG GLN A 53 13.163 -10.046 -15.745 1.00 60.12 C ATOM 807 CD GLN A 53 12.974 -10.365 -17.215 1.00 64.41 C ATOM 808 OE1 GLN A 53 12.278 -11.317 -17.571 1.00 42.52 O ATOM 809 NE2 GLN A 53 13.595 -9.570 -18.078 1.00 63.13 N ATOM 0 H GLN A 53 14.319 -12.946 -12.757 1.00 35.44 H new ATOM 0 HA GLN A 53 14.846 -10.230 -13.767 1.00 52.13 H new ATOM 0 HB2 GLN A 53 13.883 -12.044 -15.484 1.00 10.13 H new ATOM 0 HB3 GLN A 53 12.379 -11.708 -14.648 1.00 10.13 H new ATOM 0 HG2 GLN A 53 12.295 -9.495 -15.382 1.00 60.12 H new ATOM 0 HG3 GLN A 53 14.028 -9.393 -15.627 1.00 60.12 H new ATOM 0 HE21 GLN A 53 14.162 -8.793 -17.739 1.00 63.13 H new ATOM 0 HE22 GLN A 53 13.505 -9.736 -19.080 1.00 63.13 H new ATOM 818 N GLY A 54 13.239 -9.341 -12.116 1.00 14.33 N ATOM 819 CA GLY A 54 12.371 -8.832 -11.069 1.00 72.44 C ATOM 820 C GLY A 54 12.772 -7.446 -10.606 1.00 60.01 C ATOM 821 O GLY A 54 13.669 -6.816 -11.167 1.00 52.01 O ATOM 0 H GLY A 54 13.878 -8.653 -12.515 1.00 14.33 H new ATOM 0 HA2 GLY A 54 11.344 -8.807 -11.433 1.00 72.44 H new ATOM 0 HA3 GLY A 54 12.392 -9.515 -10.220 1.00 72.44 H new ATOM 825 N PRO A 55 12.097 -6.950 -9.559 1.00 1.44 N ATOM 826 CA PRO A 55 12.370 -5.623 -8.998 1.00 2.02 C ATOM 827 C PRO A 55 13.717 -5.561 -8.285 1.00 35.15 C ATOM 828 O PRO A 55 14.161 -6.544 -7.691 1.00 71.54 O ATOM 829 CB PRO A 55 11.227 -5.417 -8.001 1.00 30.21 C ATOM 830 CG PRO A 55 10.804 -6.794 -7.619 1.00 45.05 C ATOM 831 CD PRO A 55 11.016 -7.645 -8.841 1.00 32.21 C ATOM 0 HA PRO A 55 12.422 -4.857 -9.771 1.00 2.02 H new ATOM 0 HB2 PRO A 55 11.558 -4.849 -7.131 1.00 30.21 H new ATOM 0 HB3 PRO A 55 10.405 -4.861 -8.451 1.00 30.21 H new ATOM 0 HG2 PRO A 55 11.392 -7.164 -6.779 1.00 45.05 H new ATOM 0 HG3 PRO A 55 9.759 -6.810 -7.309 1.00 45.05 H new ATOM 0 HD2 PRO A 55 11.300 -8.664 -8.577 1.00 32.21 H new ATOM 0 HD3 PRO A 55 10.111 -7.713 -9.445 1.00 32.21 H new ATOM 839 N ILE A 56 14.360 -4.400 -8.346 1.00 25.51 N ATOM 840 CA ILE A 56 15.655 -4.211 -7.704 1.00 64.12 C ATOM 841 C ILE A 56 15.590 -4.560 -6.221 1.00 42.11 C ATOM 842 O ILE A 56 16.576 -5.004 -5.634 1.00 23.45 O ATOM 843 CB ILE A 56 16.153 -2.762 -7.858 1.00 3.22 C ATOM 844 CG1 ILE A 56 17.604 -2.645 -7.386 1.00 62.23 C ATOM 845 CG2 ILE A 56 15.259 -1.809 -7.078 1.00 62.22 C ATOM 846 CD1 ILE A 56 18.379 -1.547 -8.081 1.00 70.41 C ATOM 0 H ILE A 56 14.006 -3.577 -8.833 1.00 25.51 H new ATOM 0 HA ILE A 56 16.355 -4.882 -8.202 1.00 64.12 H new ATOM 0 HB ILE A 56 16.110 -2.489 -8.912 1.00 3.22 H new ATOM 0 HG12 ILE A 56 17.614 -2.462 -6.312 1.00 62.23 H new ATOM 0 HG13 ILE A 56 18.109 -3.596 -7.552 1.00 62.23 H new ATOM 0 HG21 ILE A 56 15.624 -0.789 -7.197 1.00 62.22 H new ATOM 0 HG22 ILE A 56 14.239 -1.876 -7.456 1.00 62.22 H new ATOM 0 HG23 ILE A 56 15.273 -2.079 -6.022 1.00 62.22 H new ATOM 0 HD11 ILE A 56 19.399 -1.522 -7.697 1.00 70.41 H new ATOM 0 HD12 ILE A 56 18.400 -1.739 -9.154 1.00 70.41 H new ATOM 0 HD13 ILE A 56 17.897 -0.587 -7.894 1.00 70.41 H new ATOM 858 N SER A 57 14.421 -4.357 -5.622 1.00 3.32 N ATOM 859 CA SER A 57 14.227 -4.648 -4.206 1.00 42.22 C ATOM 860 C SER A 57 14.373 -6.142 -3.934 1.00 12.11 C ATOM 861 O SER A 57 14.655 -6.556 -2.809 1.00 54.21 O ATOM 862 CB SER A 57 12.849 -4.166 -3.749 1.00 72.52 C ATOM 863 OG SER A 57 12.437 -3.027 -4.484 1.00 72.34 O ATOM 0 H SER A 57 13.594 -3.992 -6.095 1.00 3.32 H new ATOM 0 HA SER A 57 14.994 -4.117 -3.642 1.00 42.22 H new ATOM 0 HB2 SER A 57 12.120 -4.967 -3.875 1.00 72.52 H new ATOM 0 HB3 SER A 57 12.878 -3.926 -2.686 1.00 72.52 H new ATOM 0 HG SER A 57 11.513 -3.150 -4.787 1.00 72.34 H new ATOM 869 N LYS A 58 14.178 -6.948 -4.972 1.00 43.33 N ATOM 870 CA LYS A 58 14.288 -8.396 -4.848 1.00 65.34 C ATOM 871 C LYS A 58 15.637 -8.886 -5.368 1.00 14.14 C ATOM 872 O LYS A 58 16.125 -9.940 -4.959 1.00 40.42 O ATOM 873 CB LYS A 58 13.155 -9.082 -5.615 1.00 63.00 C ATOM 874 CG LYS A 58 11.912 -9.322 -4.777 1.00 13.35 C ATOM 875 CD LYS A 58 11.392 -8.030 -4.169 1.00 14.14 C ATOM 876 CE LYS A 58 9.880 -8.061 -4.003 1.00 11.12 C ATOM 877 NZ LYS A 58 9.359 -6.791 -3.426 1.00 40.52 N ATOM 0 H LYS A 58 13.943 -6.622 -5.909 1.00 43.33 H new ATOM 0 HA LYS A 58 14.211 -8.652 -3.791 1.00 65.34 H new ATOM 0 HB2 LYS A 58 12.889 -8.471 -6.477 1.00 63.00 H new ATOM 0 HB3 LYS A 58 13.514 -10.037 -5.999 1.00 63.00 H new ATOM 0 HG2 LYS A 58 11.136 -9.772 -5.396 1.00 13.35 H new ATOM 0 HG3 LYS A 58 12.139 -10.033 -3.983 1.00 13.35 H new ATOM 0 HD2 LYS A 58 11.862 -7.868 -3.199 1.00 14.14 H new ATOM 0 HD3 LYS A 58 11.672 -7.189 -4.804 1.00 14.14 H new ATOM 0 HE2 LYS A 58 9.412 -8.239 -4.971 1.00 11.12 H new ATOM 0 HE3 LYS A 58 9.603 -8.894 -3.357 1.00 11.12 H new ATOM 0 HZ1 LYS A 58 8.325 -6.852 -3.329 1.00 40.52 H new ATOM 0 HZ2 LYS A 58 9.786 -6.634 -2.491 1.00 40.52 H new ATOM 0 HZ3 LYS A 58 9.601 -5.999 -4.055 1.00 40.52 H new ATOM 891 N VAL A 59 16.234 -8.114 -6.269 1.00 43.45 N ATOM 892 CA VAL A 59 17.527 -8.467 -6.842 1.00 65.54 C ATOM 893 C VAL A 59 18.667 -8.081 -5.907 1.00 4.51 C ATOM 894 O VAL A 59 19.756 -8.653 -5.968 1.00 52.44 O ATOM 895 CB VAL A 59 17.743 -7.785 -8.206 1.00 51.22 C ATOM 896 CG1 VAL A 59 19.104 -8.151 -8.778 1.00 21.22 C ATOM 897 CG2 VAL A 59 16.630 -8.163 -9.172 1.00 44.24 C ATOM 0 H VAL A 59 15.843 -7.239 -6.618 1.00 43.45 H new ATOM 0 HA VAL A 59 17.526 -9.548 -6.981 1.00 65.54 H new ATOM 0 HB VAL A 59 17.716 -6.705 -8.061 1.00 51.22 H new ATOM 0 HG11 VAL A 59 19.238 -7.660 -9.742 1.00 21.22 H new ATOM 0 HG12 VAL A 59 19.886 -7.825 -8.093 1.00 21.22 H new ATOM 0 HG13 VAL A 59 19.165 -9.231 -8.910 1.00 21.22 H new ATOM 0 HG21 VAL A 59 16.798 -7.672 -10.131 1.00 44.24 H new ATOM 0 HG22 VAL A 59 16.623 -9.244 -9.314 1.00 44.24 H new ATOM 0 HG23 VAL A 59 15.671 -7.844 -8.765 1.00 44.24 H new ATOM 907 N ARG A 60 18.410 -7.106 -5.041 1.00 12.02 N ATOM 908 CA ARG A 60 19.415 -6.642 -4.092 1.00 52.41 C ATOM 909 C ARG A 60 19.570 -7.628 -2.939 1.00 24.34 C ATOM 910 O ARG A 60 20.625 -7.700 -2.307 1.00 63.01 O ATOM 911 CB ARG A 60 19.036 -5.262 -3.550 1.00 22.21 C ATOM 912 CG ARG A 60 19.596 -4.111 -4.370 1.00 34.03 C ATOM 913 CD ARG A 60 21.086 -3.928 -4.129 1.00 70.42 C ATOM 914 NE ARG A 60 21.357 -3.254 -2.863 1.00 4.33 N ATOM 915 CZ ARG A 60 22.557 -2.806 -2.511 1.00 45.32 C ATOM 916 NH1 ARG A 60 23.591 -2.960 -3.327 1.00 3.42 N ATOM 917 NH2 ARG A 60 22.725 -2.202 -1.342 1.00 1.34 N ATOM 0 H ARG A 60 17.514 -6.622 -4.977 1.00 12.02 H new ATOM 0 HA ARG A 60 20.368 -6.570 -4.616 1.00 52.41 H new ATOM 0 HB2 ARG A 60 17.950 -5.179 -3.518 1.00 22.21 H new ATOM 0 HB3 ARG A 60 19.393 -5.173 -2.524 1.00 22.21 H new ATOM 0 HG2 ARG A 60 19.418 -4.297 -5.429 1.00 34.03 H new ATOM 0 HG3 ARG A 60 19.069 -3.191 -4.115 1.00 34.03 H new ATOM 0 HD2 ARG A 60 21.576 -4.902 -4.133 1.00 70.42 H new ATOM 0 HD3 ARG A 60 21.517 -3.350 -4.947 1.00 70.42 H new ATOM 0 HE ARG A 60 20.583 -3.120 -2.213 1.00 4.33 H new ATOM 0 HH11 ARG A 60 23.466 -3.423 -4.227 1.00 3.42 H new ATOM 0 HH12 ARG A 60 24.511 -2.615 -3.055 1.00 3.42 H new ATOM 0 HH21 ARG A 60 21.932 -2.081 -0.712 1.00 1.34 H new ATOM 0 HH22 ARG A 60 23.647 -1.859 -1.073 1.00 1.34 H new ATOM 931 N HIS A 61 18.513 -8.387 -2.669 1.00 13.24 N ATOM 932 CA HIS A 61 18.532 -9.370 -1.591 1.00 12.51 C ATOM 933 C HIS A 61 18.849 -10.761 -2.130 1.00 65.01 C ATOM 934 O HIS A 61 19.700 -11.467 -1.590 1.00 5.13 O ATOM 935 CB HIS A 61 17.187 -9.386 -0.864 1.00 31.43 C ATOM 936 CG HIS A 61 17.117 -8.433 0.289 1.00 3.20 C ATOM 937 ND1 HIS A 61 17.515 -7.115 0.201 1.00 24.52 N ATOM 938 CD2 HIS A 61 16.691 -8.611 1.561 1.00 33.32 C ATOM 939 CE1 HIS A 61 17.338 -6.525 1.370 1.00 64.52 C ATOM 940 NE2 HIS A 61 16.838 -7.411 2.212 1.00 25.44 N ATOM 0 H HIS A 61 17.632 -8.340 -3.182 1.00 13.24 H new ATOM 0 HA HIS A 61 19.314 -9.086 -0.887 1.00 12.51 H new ATOM 0 HB2 HIS A 61 16.397 -9.143 -1.574 1.00 31.43 H new ATOM 0 HB3 HIS A 61 16.991 -10.395 -0.503 1.00 31.43 H new ATOM 0 HD2 HIS A 61 16.307 -9.527 1.985 1.00 33.32 H new ATOM 0 HE1 HIS A 61 17.564 -5.494 1.598 1.00 64.52 H new ATOM 0 HE2 HIS A 61 16.600 -7.233 3.188 1.00 25.44 H new ATOM 948 N MET A 62 18.159 -11.148 -3.198 1.00 22.54 N ATOM 949 CA MET A 62 18.369 -12.456 -3.810 1.00 13.55 C ATOM 950 C MET A 62 19.829 -12.640 -4.211 1.00 54.04 C ATOM 951 O MET A 62 20.336 -13.761 -4.240 1.00 42.31 O ATOM 952 CB MET A 62 17.466 -12.620 -5.034 1.00 10.13 C ATOM 953 CG MET A 62 17.495 -14.019 -5.627 1.00 25.10 C ATOM 954 SD MET A 62 16.844 -15.266 -4.499 1.00 12.30 S ATOM 955 CE MET A 62 15.096 -15.187 -4.881 1.00 73.41 C ATOM 0 H MET A 62 17.451 -10.576 -3.657 1.00 22.54 H new ATOM 0 HA MET A 62 18.114 -13.219 -3.075 1.00 13.55 H new ATOM 0 HB2 MET A 62 16.441 -12.374 -4.755 1.00 10.13 H new ATOM 0 HB3 MET A 62 17.769 -11.904 -5.798 1.00 10.13 H new ATOM 0 HG2 MET A 62 16.914 -14.030 -6.549 1.00 25.10 H new ATOM 0 HG3 MET A 62 18.520 -14.275 -5.893 1.00 25.10 H new ATOM 0 HE1 MET A 62 14.556 -15.903 -4.262 1.00 73.41 H new ATOM 0 HE2 MET A 62 14.725 -14.182 -4.681 1.00 73.41 H new ATOM 0 HE3 MET A 62 14.942 -15.428 -5.933 1.00 73.41 H new ATOM 965 N GLN A 63 20.497 -11.534 -4.521 1.00 11.42 N ATOM 966 CA GLN A 63 21.898 -11.575 -4.922 1.00 22.11 C ATOM 967 C GLN A 63 22.791 -11.944 -3.742 1.00 64.32 C ATOM 968 O GLN A 63 23.857 -12.534 -3.920 1.00 12.25 O ATOM 969 CB GLN A 63 22.326 -10.224 -5.498 1.00 30.04 C ATOM 970 CG GLN A 63 22.355 -9.106 -4.468 1.00 53.33 C ATOM 971 CD GLN A 63 22.902 -7.809 -5.031 1.00 10.32 C ATOM 972 OE1 GLN A 63 23.919 -7.296 -4.563 1.00 65.35 O ATOM 973 NE2 GLN A 63 22.228 -7.270 -6.040 1.00 41.12 N ATOM 0 H GLN A 63 20.091 -10.599 -4.502 1.00 11.42 H new ATOM 0 HA GLN A 63 22.007 -12.340 -5.691 1.00 22.11 H new ATOM 0 HB2 GLN A 63 23.317 -10.325 -5.941 1.00 30.04 H new ATOM 0 HB3 GLN A 63 21.644 -9.948 -6.302 1.00 30.04 H new ATOM 0 HG2 GLN A 63 21.346 -8.937 -4.092 1.00 53.33 H new ATOM 0 HG3 GLN A 63 22.965 -9.415 -3.619 1.00 53.33 H new ATOM 0 HE21 GLN A 63 21.390 -7.729 -6.397 1.00 41.12 H new ATOM 0 HE22 GLN A 63 22.548 -6.397 -6.459 1.00 41.12 H new ATOM 982 N GLU A 64 22.349 -11.593 -2.539 1.00 4.23 N ATOM 983 CA GLU A 64 23.111 -11.887 -1.330 1.00 55.32 C ATOM 984 C GLU A 64 22.623 -13.179 -0.681 1.00 14.54 C ATOM 985 O GLU A 64 22.750 -13.363 0.530 1.00 74.32 O ATOM 986 CB GLU A 64 22.999 -10.729 -0.336 1.00 35.11 C ATOM 987 CG GLU A 64 23.968 -9.592 -0.613 1.00 71.45 C ATOM 988 CD GLU A 64 25.411 -10.055 -0.659 1.00 4.33 C ATOM 989 OE1 GLU A 64 26.047 -10.118 0.414 1.00 22.04 O ATOM 990 OE2 GLU A 64 25.905 -10.353 -1.766 1.00 41.32 O ATOM 0 H GLU A 64 21.468 -11.105 -2.375 1.00 4.23 H new ATOM 0 HA GLU A 64 24.156 -12.014 -1.611 1.00 55.32 H new ATOM 0 HB2 GLU A 64 21.981 -10.340 -0.357 1.00 35.11 H new ATOM 0 HB3 GLU A 64 23.175 -11.108 0.671 1.00 35.11 H new ATOM 0 HG2 GLU A 64 23.710 -9.123 -1.563 1.00 71.45 H new ATOM 0 HG3 GLU A 64 23.859 -8.830 0.159 1.00 71.45 H new ATOM 997 N TRP A 65 22.064 -14.068 -1.494 1.00 1.25 N ATOM 998 CA TRP A 65 21.556 -15.342 -0.998 1.00 62.35 C ATOM 999 C TRP A 65 22.150 -16.507 -1.783 1.00 40.23 C ATOM 1000 O TRP A 65 22.452 -17.559 -1.219 1.00 34.31 O ATOM 1001 CB TRP A 65 20.030 -15.376 -1.089 1.00 33.13 C ATOM 1002 CG TRP A 65 19.427 -16.614 -0.496 1.00 52.22 C ATOM 1003 CD1 TRP A 65 19.427 -17.867 -1.040 1.00 0.42 C ATOM 1004 CD2 TRP A 65 18.734 -16.716 0.753 1.00 61.23 C ATOM 1005 NE1 TRP A 65 18.776 -18.742 -0.204 1.00 41.20 N ATOM 1006 CE2 TRP A 65 18.342 -18.061 0.903 1.00 45.03 C ATOM 1007 CE3 TRP A 65 18.409 -15.804 1.760 1.00 55.44 C ATOM 1008 CZ2 TRP A 65 17.641 -18.512 2.018 1.00 5.30 C ATOM 1009 CZ3 TRP A 65 17.712 -16.253 2.866 1.00 45.53 C ATOM 1010 CH2 TRP A 65 17.336 -17.597 2.988 1.00 12.44 C ATOM 0 H TRP A 65 21.951 -13.931 -2.498 1.00 1.25 H new ATOM 0 HA TRP A 65 21.853 -15.442 0.046 1.00 62.35 H new ATOM 0 HB2 TRP A 65 19.623 -14.502 -0.580 1.00 33.13 H new ATOM 0 HB3 TRP A 65 19.734 -15.301 -2.135 1.00 33.13 H new ATOM 0 HD1 TRP A 65 19.873 -18.131 -1.988 1.00 0.42 H new ATOM 0 HE1 TRP A 65 18.638 -19.737 -0.379 1.00 41.20 H new ATOM 0 HE3 TRP A 65 18.697 -14.767 1.676 1.00 55.44 H new ATOM 0 HZ2 TRP A 65 17.348 -19.547 2.114 1.00 5.30 H new ATOM 0 HZ3 TRP A 65 17.453 -15.556 3.649 1.00 45.53 H new ATOM 0 HH2 TRP A 65 16.794 -17.917 3.866 1.00 12.44 H new ATOM 1021 N LEU A 66 22.316 -16.312 -3.087 1.00 20.41 N ATOM 1022 CA LEU A 66 22.875 -17.348 -3.950 1.00 11.53 C ATOM 1023 C LEU A 66 24.398 -17.275 -3.971 1.00 23.25 C ATOM 1024 O LEU A 66 25.061 -18.124 -4.566 1.00 11.11 O ATOM 1025 CB LEU A 66 22.327 -17.205 -5.371 1.00 33.43 C ATOM 1026 CG LEU A 66 20.914 -17.744 -5.602 1.00 44.34 C ATOM 1027 CD1 LEU A 66 20.360 -17.236 -6.924 1.00 72.24 C ATOM 1028 CD2 LEU A 66 20.912 -19.265 -5.570 1.00 34.14 C ATOM 0 H LEU A 66 22.072 -15.447 -3.570 1.00 20.41 H new ATOM 0 HA LEU A 66 22.581 -18.318 -3.549 1.00 11.53 H new ATOM 0 HB2 LEU A 66 22.340 -16.149 -5.640 1.00 33.43 H new ATOM 0 HB3 LEU A 66 23.006 -17.716 -6.054 1.00 33.43 H new ATOM 0 HG LEU A 66 20.271 -17.383 -4.799 1.00 44.34 H new ATOM 0 HD11 LEU A 66 19.354 -17.629 -7.072 1.00 72.24 H new ATOM 0 HD12 LEU A 66 20.325 -16.147 -6.909 1.00 72.24 H new ATOM 0 HD13 LEU A 66 21.003 -17.568 -7.739 1.00 72.24 H new ATOM 0 HD21 LEU A 66 19.899 -19.631 -5.736 1.00 34.14 H new ATOM 0 HD22 LEU A 66 21.568 -19.646 -6.352 1.00 34.14 H new ATOM 0 HD23 LEU A 66 21.267 -19.609 -4.599 1.00 34.14 H new ATOM 1040 N GLU A 67 24.946 -16.257 -3.315 1.00 24.05 N ATOM 1041 CA GLU A 67 26.392 -16.076 -3.257 1.00 41.32 C ATOM 1042 C GLU A 67 26.944 -16.530 -1.909 1.00 64.33 C ATOM 1043 O GLU A 67 28.113 -16.903 -1.797 1.00 72.33 O ATOM 1044 CB GLU A 67 26.755 -14.609 -3.501 1.00 35.22 C ATOM 1045 CG GLU A 67 26.179 -13.660 -2.464 1.00 10.45 C ATOM 1046 CD GLU A 67 27.150 -13.370 -1.335 1.00 72.22 C ATOM 1047 OE1 GLU A 67 28.211 -14.026 -1.282 1.00 10.01 O ATOM 1048 OE2 GLU A 67 26.848 -12.487 -0.505 1.00 54.15 O ATOM 0 H GLU A 67 24.411 -15.546 -2.817 1.00 24.05 H new ATOM 0 HA GLU A 67 26.840 -16.689 -4.039 1.00 41.32 H new ATOM 0 HB2 GLU A 67 27.840 -14.509 -3.510 1.00 35.22 H new ATOM 0 HB3 GLU A 67 26.399 -14.315 -4.488 1.00 35.22 H new ATOM 0 HG2 GLU A 67 25.901 -12.724 -2.948 1.00 10.45 H new ATOM 0 HG3 GLU A 67 25.266 -14.089 -2.052 1.00 10.45 H new ATOM 1055 N THR A 68 26.096 -16.496 -0.887 1.00 33.25 N ATOM 1056 CA THR A 68 26.498 -16.902 0.454 1.00 33.42 C ATOM 1057 C THR A 68 25.674 -18.090 0.939 1.00 65.43 C ATOM 1058 O THR A 68 26.210 -19.030 1.527 1.00 60.24 O ATOM 1059 CB THR A 68 26.349 -15.745 1.460 1.00 64.21 C ATOM 1060 OG1 THR A 68 26.430 -16.246 2.799 1.00 64.52 O ATOM 1061 CG2 THR A 68 25.025 -15.023 1.263 1.00 61.14 C ATOM 0 H THR A 68 25.125 -16.191 -0.962 1.00 33.25 H new ATOM 0 HA THR A 68 27.548 -17.190 0.395 1.00 33.42 H new ATOM 0 HB THR A 68 27.160 -15.037 1.288 1.00 64.21 H new ATOM 0 HG1 THR A 68 26.336 -15.504 3.432 1.00 64.52 H new ATOM 0 HG21 THR A 68 24.943 -14.210 1.985 1.00 61.14 H new ATOM 0 HG22 THR A 68 24.979 -14.617 0.253 1.00 61.14 H new ATOM 0 HG23 THR A 68 24.203 -15.724 1.410 1.00 61.14 H new ATOM 1069 N ARG A 69 24.370 -18.042 0.688 1.00 63.32 N ATOM 1070 CA ARG A 69 23.473 -19.115 1.099 1.00 21.24 C ATOM 1071 C ARG A 69 23.305 -20.142 -0.017 1.00 3.11 C ATOM 1072 O ARG A 69 23.630 -19.876 -1.173 1.00 45.31 O ATOM 1073 CB ARG A 69 22.109 -18.545 1.492 1.00 33.51 C ATOM 1074 CG ARG A 69 21.405 -19.343 2.578 1.00 61.33 C ATOM 1075 CD ARG A 69 20.523 -18.454 3.440 1.00 43.30 C ATOM 1076 NE ARG A 69 21.253 -17.896 4.575 1.00 12.54 N ATOM 1077 CZ ARG A 69 21.630 -18.610 5.630 1.00 74.11 C ATOM 1078 NH1 ARG A 69 21.348 -19.904 5.693 1.00 35.01 N ATOM 1079 NH2 ARG A 69 22.290 -18.030 6.624 1.00 64.42 N ATOM 0 H ARG A 69 23.911 -17.272 0.202 1.00 63.32 H new ATOM 0 HA ARG A 69 23.914 -19.612 1.963 1.00 21.24 H new ATOM 0 HB2 ARG A 69 22.239 -17.518 1.834 1.00 33.51 H new ATOM 0 HB3 ARG A 69 21.472 -18.509 0.609 1.00 33.51 H new ATOM 0 HG2 ARG A 69 20.799 -20.125 2.121 1.00 61.33 H new ATOM 0 HG3 ARG A 69 22.146 -19.839 3.205 1.00 61.33 H new ATOM 0 HD2 ARG A 69 20.122 -17.643 2.833 1.00 43.30 H new ATOM 0 HD3 ARG A 69 19.672 -19.030 3.804 1.00 43.30 H new ATOM 0 HE ARG A 69 21.486 -16.903 4.557 1.00 12.54 H new ATOM 0 HH11 ARG A 69 20.841 -20.353 4.931 1.00 35.01 H new ATOM 0 HH12 ARG A 69 21.638 -20.450 6.504 1.00 35.01 H new ATOM 0 HH21 ARG A 69 22.509 -17.035 6.579 1.00 64.42 H new ATOM 0 HH22 ARG A 69 22.579 -18.579 7.433 1.00 64.42 H new ATOM 1093 N GLY A 70 22.796 -21.317 0.339 1.00 74.44 N ATOM 1094 CA GLY A 70 22.594 -22.366 -0.644 1.00 22.42 C ATOM 1095 C GLY A 70 22.900 -23.744 -0.092 1.00 20.55 C ATOM 1096 O GLY A 70 23.592 -23.877 0.918 1.00 13.41 O ATOM 0 H GLY A 70 22.520 -21.562 1.290 1.00 74.44 H new ATOM 0 HA2 GLY A 70 21.562 -22.339 -0.993 1.00 22.42 H new ATOM 0 HA3 GLY A 70 23.228 -22.176 -1.510 1.00 22.42 H new ATOM 1100 N SER A 71 22.382 -24.774 -0.754 1.00 22.12 N ATOM 1101 CA SER A 71 22.599 -26.149 -0.320 1.00 21.21 C ATOM 1102 C SER A 71 24.074 -26.525 -0.423 1.00 62.11 C ATOM 1103 O SER A 71 24.855 -25.890 -1.132 1.00 72.14 O ATOM 1104 CB SER A 71 21.756 -27.110 -1.160 1.00 61.50 C ATOM 1105 OG SER A 71 20.503 -27.360 -0.546 1.00 45.03 O ATOM 0 H SER A 71 21.809 -24.682 -1.593 1.00 22.12 H new ATOM 0 HA SER A 71 22.294 -26.227 0.724 1.00 21.21 H new ATOM 0 HB2 SER A 71 21.600 -26.689 -2.153 1.00 61.50 H new ATOM 0 HB3 SER A 71 22.293 -28.049 -1.293 1.00 61.50 H new ATOM 0 HG SER A 71 19.983 -27.976 -1.103 1.00 45.03 H new ATOM 1111 N PRO A 72 24.466 -27.583 0.302 1.00 63.32 N ATOM 1112 CA PRO A 72 25.849 -28.069 0.309 1.00 23.21 C ATOM 1113 C PRO A 72 26.247 -28.707 -1.018 1.00 34.23 C ATOM 1114 O PRO A 72 27.422 -28.985 -1.258 1.00 33.43 O ATOM 1115 CB PRO A 72 25.852 -29.115 1.427 1.00 1.32 C ATOM 1116 CG PRO A 72 24.439 -29.579 1.515 1.00 3.12 C ATOM 1117 CD PRO A 72 23.590 -28.387 1.170 1.00 74.43 C ATOM 0 HA PRO A 72 26.564 -27.260 0.461 1.00 23.21 H new ATOM 0 HB2 PRO A 72 26.526 -29.940 1.196 1.00 1.32 H new ATOM 0 HB3 PRO A 72 26.187 -28.685 2.371 1.00 1.32 H new ATOM 0 HG2 PRO A 72 24.255 -30.402 0.825 1.00 3.12 H new ATOM 0 HG3 PRO A 72 24.210 -29.945 2.516 1.00 3.12 H new ATOM 0 HD2 PRO A 72 22.675 -28.681 0.656 1.00 74.43 H new ATOM 0 HD3 PRO A 72 23.291 -27.835 2.061 1.00 74.43 H new ATOM 1125 N LYS A 73 25.260 -28.936 -1.878 1.00 30.54 N ATOM 1126 CA LYS A 73 25.506 -29.540 -3.182 1.00 31.22 C ATOM 1127 C LYS A 73 25.712 -28.468 -4.247 1.00 73.34 C ATOM 1128 O LYS A 73 26.022 -28.775 -5.398 1.00 65.42 O ATOM 1129 CB LYS A 73 24.338 -30.448 -3.575 1.00 0.30 C ATOM 1130 CG LYS A 73 23.869 -31.356 -2.452 1.00 15.23 C ATOM 1131 CD LYS A 73 22.767 -30.705 -1.632 1.00 71.10 C ATOM 1132 CE LYS A 73 21.879 -31.745 -0.966 1.00 61.31 C ATOM 1133 NZ LYS A 73 22.672 -32.724 -0.171 1.00 54.13 N ATOM 0 H LYS A 73 24.282 -28.712 -1.695 1.00 30.54 H new ATOM 0 HA LYS A 73 26.415 -30.138 -3.113 1.00 31.22 H new ATOM 0 HB2 LYS A 73 23.503 -29.830 -3.904 1.00 0.30 H new ATOM 0 HB3 LYS A 73 24.635 -31.061 -4.426 1.00 0.30 H new ATOM 0 HG2 LYS A 73 23.507 -32.295 -2.870 1.00 15.23 H new ATOM 0 HG3 LYS A 73 24.711 -31.599 -1.804 1.00 15.23 H new ATOM 0 HD2 LYS A 73 23.210 -30.062 -0.871 1.00 71.10 H new ATOM 0 HD3 LYS A 73 22.162 -30.067 -2.276 1.00 71.10 H new ATOM 0 HE2 LYS A 73 21.160 -31.246 -0.316 1.00 61.31 H new ATOM 0 HE3 LYS A 73 21.306 -32.275 -1.727 1.00 61.31 H new ATOM 0 HZ1 LYS A 73 22.172 -32.938 0.715 1.00 54.13 H new ATOM 0 HZ2 LYS A 73 22.794 -33.599 -0.720 1.00 54.13 H new ATOM 0 HZ3 LYS A 73 23.605 -32.320 0.047 1.00 54.13 H new ATOM 1147 N SER A 74 25.538 -27.210 -3.856 1.00 73.00 N ATOM 1148 CA SER A 74 25.702 -26.093 -4.779 1.00 2.24 C ATOM 1149 C SER A 74 26.818 -25.163 -4.312 1.00 13.42 C ATOM 1150 O SER A 74 26.562 -24.049 -3.853 1.00 12.05 O ATOM 1151 CB SER A 74 24.392 -25.313 -4.907 1.00 4.21 C ATOM 1152 OG SER A 74 23.273 -26.175 -4.800 1.00 52.11 O ATOM 0 H SER A 74 25.283 -26.938 -2.906 1.00 73.00 H new ATOM 0 HA SER A 74 25.973 -26.496 -5.755 1.00 2.24 H new ATOM 0 HB2 SER A 74 24.342 -24.549 -4.131 1.00 4.21 H new ATOM 0 HB3 SER A 74 24.366 -24.795 -5.866 1.00 4.21 H new ATOM 0 HG SER A 74 22.455 -25.641 -4.723 1.00 52.11 H new ATOM 1158 N HIS A 75 28.057 -25.628 -4.433 1.00 1.32 N ATOM 1159 CA HIS A 75 29.213 -24.838 -4.024 1.00 63.11 C ATOM 1160 C HIS A 75 29.312 -23.555 -4.843 1.00 52.23 C ATOM 1161 O HIS A 75 28.789 -23.476 -5.956 1.00 3.45 O ATOM 1162 CB HIS A 75 30.496 -25.655 -4.179 1.00 21.51 C ATOM 1163 CG HIS A 75 31.574 -25.267 -3.215 1.00 2.43 C ATOM 1164 ND1 HIS A 75 32.896 -25.623 -3.380 1.00 30.23 N ATOM 1165 CD2 HIS A 75 31.520 -24.546 -2.070 1.00 64.20 C ATOM 1166 CE1 HIS A 75 33.608 -25.140 -2.377 1.00 63.43 C ATOM 1167 NE2 HIS A 75 32.797 -24.482 -1.569 1.00 23.32 N ATOM 0 H HIS A 75 28.286 -26.547 -4.811 1.00 1.32 H new ATOM 0 HA HIS A 75 29.086 -24.570 -2.975 1.00 63.11 H new ATOM 0 HB2 HIS A 75 30.263 -26.711 -4.044 1.00 21.51 H new ATOM 0 HB3 HIS A 75 30.870 -25.538 -5.196 1.00 21.51 H new ATOM 0 HD2 HIS A 75 30.637 -24.104 -1.632 1.00 64.20 H new ATOM 0 HE1 HIS A 75 34.672 -25.263 -2.241 1.00 63.43 H new ATOM 0 HE2 HIS A 75 33.074 -24.004 -0.712 1.00 23.32 H new ATOM 1175 N ILE A 76 29.984 -22.553 -4.286 1.00 55.10 N ATOM 1176 CA ILE A 76 30.150 -21.274 -4.965 1.00 61.24 C ATOM 1177 C ILE A 76 31.624 -20.898 -5.075 1.00 13.31 C ATOM 1178 O ILE A 76 32.107 -20.024 -4.355 1.00 11.13 O ATOM 1179 CB ILE A 76 29.397 -20.147 -4.236 1.00 14.45 C ATOM 1180 CG1 ILE A 76 27.921 -20.515 -4.067 1.00 23.54 C ATOM 1181 CG2 ILE A 76 29.537 -18.837 -4.997 1.00 11.33 C ATOM 1182 CD1 ILE A 76 27.170 -19.591 -3.135 1.00 0.52 C ATOM 0 H ILE A 76 30.422 -22.602 -3.366 1.00 55.10 H new ATOM 0 HA ILE A 76 29.731 -21.391 -5.965 1.00 61.24 H new ATOM 0 HB ILE A 76 29.836 -20.019 -3.247 1.00 14.45 H new ATOM 0 HG12 ILE A 76 27.438 -20.503 -5.044 1.00 23.54 H new ATOM 0 HG13 ILE A 76 27.850 -21.535 -3.689 1.00 23.54 H new ATOM 0 HG21 ILE A 76 28.999 -18.050 -4.469 1.00 11.33 H new ATOM 0 HG22 ILE A 76 30.591 -18.570 -5.070 1.00 11.33 H new ATOM 0 HG23 ILE A 76 29.121 -18.952 -5.998 1.00 11.33 H new ATOM 0 HD11 ILE A 76 26.131 -19.912 -3.063 1.00 0.52 H new ATOM 0 HD12 ILE A 76 27.628 -19.621 -2.146 1.00 0.52 H new ATOM 0 HD13 ILE A 76 27.209 -18.573 -3.523 1.00 0.52 H new ATOM 1194 N ASP A 77 32.332 -21.561 -5.982 1.00 23.44 N ATOM 1195 CA ASP A 77 33.751 -21.295 -6.188 1.00 40.33 C ATOM 1196 C ASP A 77 33.973 -19.855 -6.641 1.00 0.13 C ATOM 1197 O ASP A 77 35.007 -19.253 -6.349 1.00 32.21 O ATOM 1198 CB ASP A 77 34.328 -22.262 -7.223 1.00 22.23 C ATOM 1199 CG ASP A 77 35.808 -22.519 -7.013 1.00 74.10 C ATOM 1200 OD1 ASP A 77 36.622 -21.667 -7.425 1.00 44.12 O ATOM 1201 OD2 ASP A 77 36.150 -23.572 -6.436 1.00 5.11 O ATOM 0 H ASP A 77 31.947 -22.287 -6.587 1.00 23.44 H new ATOM 0 HA ASP A 77 34.265 -21.442 -5.238 1.00 40.33 H new ATOM 0 HB2 ASP A 77 33.787 -23.207 -7.174 1.00 22.23 H new ATOM 0 HB3 ASP A 77 34.171 -21.856 -8.222 1.00 22.23 H new ATOM 1206 N LYS A 78 32.996 -19.308 -7.356 1.00 42.31 N ATOM 1207 CA LYS A 78 33.083 -17.938 -7.850 1.00 24.43 C ATOM 1208 C LYS A 78 31.714 -17.431 -8.292 1.00 65.40 C ATOM 1209 O LYS A 78 31.162 -17.897 -9.288 1.00 32.20 O ATOM 1210 CB LYS A 78 34.071 -17.857 -9.016 1.00 54.21 C ATOM 1211 CG LYS A 78 34.192 -16.466 -9.614 1.00 5.44 C ATOM 1212 CD LYS A 78 34.819 -15.490 -8.632 1.00 0.14 C ATOM 1213 CE LYS A 78 34.816 -14.070 -9.178 1.00 24.41 C ATOM 1214 NZ LYS A 78 35.233 -13.079 -8.148 1.00 44.00 N ATOM 0 H LYS A 78 32.134 -19.792 -7.607 1.00 42.31 H new ATOM 0 HA LYS A 78 33.439 -17.306 -7.036 1.00 24.43 H new ATOM 0 HB2 LYS A 78 35.053 -18.183 -8.673 1.00 54.21 H new ATOM 0 HB3 LYS A 78 33.759 -18.553 -9.795 1.00 54.21 H new ATOM 0 HG2 LYS A 78 34.796 -16.510 -10.521 1.00 5.44 H new ATOM 0 HG3 LYS A 78 33.205 -16.107 -9.905 1.00 5.44 H new ATOM 0 HD2 LYS A 78 34.273 -15.520 -7.689 1.00 0.14 H new ATOM 0 HD3 LYS A 78 35.843 -15.796 -8.417 1.00 0.14 H new ATOM 0 HE2 LYS A 78 35.488 -14.009 -10.034 1.00 24.41 H new ATOM 0 HE3 LYS A 78 33.818 -13.821 -9.538 1.00 24.41 H new ATOM 0 HZ1 LYS A 78 35.218 -12.124 -8.559 1.00 44.00 H new ATOM 0 HZ2 LYS A 78 34.577 -13.119 -7.342 1.00 44.00 H new ATOM 0 HZ3 LYS A 78 36.196 -13.301 -7.823 1.00 44.00 H new ATOM 1228 N ALA A 79 31.174 -16.474 -7.546 1.00 12.40 N ATOM 1229 CA ALA A 79 29.871 -15.901 -7.864 1.00 25.32 C ATOM 1230 C ALA A 79 30.019 -14.540 -8.535 1.00 1.01 C ATOM 1231 O ALA A 79 30.622 -13.625 -7.977 1.00 4.42 O ATOM 1232 CB ALA A 79 29.026 -15.782 -6.605 1.00 32.15 C ATOM 0 H ALA A 79 31.618 -16.079 -6.717 1.00 12.40 H new ATOM 0 HA ALA A 79 29.369 -16.569 -8.564 1.00 25.32 H new ATOM 0 HB1 ALA A 79 28.056 -15.353 -6.857 1.00 32.15 H new ATOM 0 HB2 ALA A 79 28.883 -16.770 -6.168 1.00 32.15 H new ATOM 0 HB3 ALA A 79 29.532 -15.137 -5.887 1.00 32.15 H new ATOM 1238 N ASN A 80 29.465 -14.414 -9.736 1.00 73.43 N ATOM 1239 CA ASN A 80 29.536 -13.164 -10.484 1.00 61.52 C ATOM 1240 C ASN A 80 28.145 -12.706 -10.912 1.00 62.20 C ATOM 1241 O ASN A 80 27.172 -13.452 -10.801 1.00 23.44 O ATOM 1242 CB ASN A 80 30.431 -13.332 -11.714 1.00 73.31 C ATOM 1243 CG ASN A 80 31.007 -12.014 -12.194 1.00 75.14 C ATOM 1244 OD1 ASN A 80 31.219 -11.093 -11.406 1.00 4.11 O ATOM 1245 ND2 ASN A 80 31.261 -11.918 -13.494 1.00 62.52 N ATOM 0 H ASN A 80 28.962 -15.162 -10.212 1.00 73.43 H new ATOM 0 HA ASN A 80 29.965 -12.403 -9.832 1.00 61.52 H new ATOM 0 HB2 ASN A 80 31.245 -14.016 -11.477 1.00 73.31 H new ATOM 0 HB3 ASN A 80 29.855 -13.789 -12.519 1.00 73.31 H new ATOM 0 HD21 ASN A 80 31.648 -11.055 -13.876 1.00 62.52 H new ATOM 0 HD22 ASN A 80 31.069 -12.708 -14.111 1.00 62.52 H new ATOM 1252 N PHE A 81 28.059 -11.474 -11.402 1.00 60.15 N ATOM 1253 CA PHE A 81 26.787 -10.915 -11.847 1.00 65.50 C ATOM 1254 C PHE A 81 26.995 -9.949 -13.010 1.00 12.05 C ATOM 1255 O PHE A 81 28.107 -9.484 -13.253 1.00 2.43 O ATOM 1256 CB PHE A 81 26.089 -10.197 -10.690 1.00 64.33 C ATOM 1257 CG PHE A 81 27.002 -9.300 -9.904 1.00 12.01 C ATOM 1258 CD1 PHE A 81 27.480 -8.122 -10.455 1.00 24.11 C ATOM 1259 CD2 PHE A 81 27.380 -9.634 -8.614 1.00 4.14 C ATOM 1260 CE1 PHE A 81 28.321 -7.295 -9.734 1.00 34.23 C ATOM 1261 CE2 PHE A 81 28.220 -8.811 -7.887 1.00 42.54 C ATOM 1262 CZ PHE A 81 28.690 -7.639 -8.448 1.00 30.10 C ATOM 0 H PHE A 81 28.855 -10.843 -11.501 1.00 60.15 H new ATOM 0 HA PHE A 81 26.157 -11.736 -12.189 1.00 65.50 H new ATOM 0 HB2 PHE A 81 25.263 -9.605 -11.085 1.00 64.33 H new ATOM 0 HB3 PHE A 81 25.657 -10.940 -10.020 1.00 64.33 H new ATOM 0 HD1 PHE A 81 27.192 -7.847 -11.459 1.00 24.11 H new ATOM 0 HD2 PHE A 81 27.014 -10.548 -8.171 1.00 4.14 H new ATOM 0 HE1 PHE A 81 28.689 -6.381 -10.176 1.00 34.23 H new ATOM 0 HE2 PHE A 81 28.508 -9.084 -6.883 1.00 42.54 H new ATOM 0 HZ PHE A 81 29.345 -6.993 -7.882 1.00 30.10 H new ATOM 1272 N ASN A 82 25.914 -9.653 -13.725 1.00 4.44 N ATOM 1273 CA ASN A 82 25.977 -8.743 -14.863 1.00 0.33 C ATOM 1274 C ASN A 82 25.978 -7.290 -14.398 1.00 11.42 C ATOM 1275 O ASN A 82 25.930 -7.010 -13.201 1.00 35.33 O ATOM 1276 CB ASN A 82 24.796 -8.988 -15.804 1.00 20.00 C ATOM 1277 CG ASN A 82 25.144 -8.709 -17.253 1.00 63.13 C ATOM 1278 OD1 ASN A 82 24.995 -7.586 -17.734 1.00 52.31 O ATOM 1279 ND2 ASN A 82 25.611 -9.734 -17.957 1.00 43.22 N ATOM 0 H ASN A 82 24.985 -10.030 -13.537 1.00 4.44 H new ATOM 0 HA ASN A 82 26.906 -8.935 -15.399 1.00 0.33 H new ATOM 0 HB2 ASN A 82 24.465 -10.022 -15.705 1.00 20.00 H new ATOM 0 HB3 ASN A 82 23.960 -8.355 -15.506 1.00 20.00 H new ATOM 0 HD21 ASN A 82 25.862 -9.607 -18.937 1.00 43.22 H new ATOM 0 HD22 ASN A 82 25.718 -10.648 -17.517 1.00 43.22 H new ATOM 1286 N ASN A 83 26.033 -6.368 -15.354 1.00 72.11 N ATOM 1287 CA ASN A 83 26.040 -4.943 -15.043 1.00 71.31 C ATOM 1288 C ASN A 83 24.669 -4.487 -14.552 1.00 4.12 C ATOM 1289 O ASN A 83 24.518 -3.372 -14.054 1.00 11.02 O ATOM 1290 CB ASN A 83 26.448 -4.133 -16.275 1.00 62.21 C ATOM 1291 CG ASN A 83 26.421 -2.639 -16.019 1.00 53.44 C ATOM 1292 OD1 ASN A 83 25.627 -1.910 -16.615 1.00 35.33 O ATOM 1293 ND2 ASN A 83 27.291 -2.175 -15.130 1.00 41.42 N ATOM 0 H ASN A 83 26.073 -6.582 -16.350 1.00 72.11 H new ATOM 0 HA ASN A 83 26.766 -4.773 -14.248 1.00 71.31 H new ATOM 0 HB2 ASN A 83 27.451 -4.428 -16.585 1.00 62.21 H new ATOM 0 HB3 ASN A 83 25.777 -4.370 -17.101 1.00 62.21 H new ATOM 0 HD21 ASN A 83 27.320 -1.178 -14.917 1.00 41.42 H new ATOM 0 HD22 ASN A 83 27.931 -2.816 -14.660 1.00 41.42 H new ATOM 1300 N GLU A 84 23.675 -5.358 -14.696 1.00 1.45 N ATOM 1301 CA GLU A 84 22.317 -5.043 -14.266 1.00 64.24 C ATOM 1302 C GLU A 84 21.740 -3.894 -15.087 1.00 53.04 C ATOM 1303 O GLU A 84 22.250 -2.774 -15.055 1.00 63.11 O ATOM 1304 CB GLU A 84 22.300 -4.682 -12.780 1.00 15.33 C ATOM 1305 CG GLU A 84 20.901 -4.588 -12.193 1.00 1.11 C ATOM 1306 CD GLU A 84 20.906 -4.149 -10.741 1.00 73.04 C ATOM 1307 OE1 GLU A 84 21.029 -5.024 -9.858 1.00 54.43 O ATOM 1308 OE2 GLU A 84 20.786 -2.932 -10.489 1.00 23.14 O ATOM 0 H GLU A 84 23.784 -6.285 -15.106 1.00 1.45 H new ATOM 0 HA GLU A 84 21.698 -5.926 -14.424 1.00 64.24 H new ATOM 0 HB2 GLU A 84 22.868 -5.430 -12.226 1.00 15.33 H new ATOM 0 HB3 GLU A 84 22.808 -3.728 -12.640 1.00 15.33 H new ATOM 0 HG2 GLU A 84 20.311 -3.884 -12.780 1.00 1.11 H new ATOM 0 HG3 GLU A 84 20.411 -5.558 -12.274 1.00 1.11 H new ATOM 1315 N LYS A 85 20.671 -4.180 -15.824 1.00 3.41 N ATOM 1316 CA LYS A 85 20.022 -3.172 -16.654 1.00 12.12 C ATOM 1317 C LYS A 85 18.506 -3.234 -16.499 1.00 34.14 C ATOM 1318 O LYS A 85 17.948 -4.281 -16.171 1.00 35.24 O ATOM 1319 CB LYS A 85 20.403 -3.368 -18.123 1.00 22.32 C ATOM 1320 CG LYS A 85 20.228 -4.796 -18.611 1.00 5.00 C ATOM 1321 CD LYS A 85 20.464 -4.906 -20.108 1.00 64.20 C ATOM 1322 CE LYS A 85 19.247 -4.452 -20.899 1.00 2.10 C ATOM 1323 NZ LYS A 85 19.286 -4.939 -22.306 1.00 5.13 N ATOM 0 H LYS A 85 20.236 -5.102 -15.863 1.00 3.41 H new ATOM 0 HA LYS A 85 20.364 -2.191 -16.324 1.00 12.12 H new ATOM 0 HB2 LYS A 85 19.795 -2.705 -18.739 1.00 22.32 H new ATOM 0 HB3 LYS A 85 21.442 -3.070 -18.263 1.00 22.32 H new ATOM 0 HG2 LYS A 85 20.922 -5.450 -18.083 1.00 5.00 H new ATOM 0 HG3 LYS A 85 19.222 -5.142 -18.374 1.00 5.00 H new ATOM 0 HD2 LYS A 85 21.327 -4.301 -20.387 1.00 64.20 H new ATOM 0 HD3 LYS A 85 20.702 -5.938 -20.365 1.00 64.20 H new ATOM 0 HE2 LYS A 85 18.342 -4.817 -20.414 1.00 2.10 H new ATOM 0 HE3 LYS A 85 19.195 -3.363 -20.893 1.00 2.10 H new ATOM 0 HZ1 LYS A 85 18.439 -4.608 -22.811 1.00 5.13 H new ATOM 0 HZ2 LYS A 85 20.137 -4.571 -22.777 1.00 5.13 H new ATOM 0 HZ3 LYS A 85 19.309 -5.979 -22.313 1.00 5.13 H new ATOM 1337 N VAL A 86 17.844 -2.106 -16.738 1.00 20.21 N ATOM 1338 CA VAL A 86 16.392 -2.033 -16.627 1.00 60.42 C ATOM 1339 C VAL A 86 15.720 -2.467 -17.925 1.00 14.10 C ATOM 1340 O VAL A 86 16.309 -2.373 -19.002 1.00 75.23 O ATOM 1341 CB VAL A 86 15.927 -0.609 -16.272 1.00 10.31 C ATOM 1342 CG1 VAL A 86 16.589 -0.136 -14.987 1.00 0.33 C ATOM 1343 CG2 VAL A 86 16.222 0.349 -17.417 1.00 33.43 C ATOM 0 H VAL A 86 18.291 -1.230 -17.010 1.00 20.21 H new ATOM 0 HA VAL A 86 16.101 -2.712 -15.825 1.00 60.42 H new ATOM 0 HB VAL A 86 14.849 -0.627 -16.112 1.00 10.31 H new ATOM 0 HG11 VAL A 86 16.248 0.872 -14.752 1.00 0.33 H new ATOM 0 HG12 VAL A 86 16.322 -0.808 -14.172 1.00 0.33 H new ATOM 0 HG13 VAL A 86 17.671 -0.133 -15.115 1.00 0.33 H new ATOM 0 HG21 VAL A 86 15.887 1.351 -17.149 1.00 33.43 H new ATOM 0 HG22 VAL A 86 17.295 0.365 -17.611 1.00 33.43 H new ATOM 0 HG23 VAL A 86 15.696 0.018 -18.313 1.00 33.43 H new ATOM 1353 N ILE A 87 14.483 -2.941 -17.815 1.00 2.25 N ATOM 1354 CA ILE A 87 13.730 -3.387 -18.980 1.00 32.23 C ATOM 1355 C ILE A 87 12.243 -3.090 -18.820 1.00 52.40 C ATOM 1356 O ILE A 87 11.787 -2.711 -17.740 1.00 54.13 O ATOM 1357 CB ILE A 87 13.916 -4.896 -19.226 1.00 43.05 C ATOM 1358 CG1 ILE A 87 14.031 -5.642 -17.896 1.00 20.23 C ATOM 1359 CG2 ILE A 87 15.146 -5.144 -20.087 1.00 3.12 C ATOM 1360 CD1 ILE A 87 12.827 -5.464 -16.997 1.00 60.34 C ATOM 0 H ILE A 87 13.982 -3.026 -16.931 1.00 2.25 H new ATOM 0 HA ILE A 87 14.118 -2.836 -19.837 1.00 32.23 H new ATOM 0 HB ILE A 87 13.042 -5.273 -19.757 1.00 43.05 H new ATOM 0 HG12 ILE A 87 14.171 -6.704 -18.096 1.00 20.23 H new ATOM 0 HG13 ILE A 87 14.921 -5.296 -17.370 1.00 20.23 H new ATOM 0 HG21 ILE A 87 15.265 -6.215 -20.252 1.00 3.12 H new ATOM 0 HG22 ILE A 87 15.027 -4.640 -21.046 1.00 3.12 H new ATOM 0 HG23 ILE A 87 16.029 -4.755 -19.580 1.00 3.12 H new ATOM 0 HD11 ILE A 87 12.978 -6.021 -16.072 1.00 60.34 H new ATOM 0 HD12 ILE A 87 12.698 -4.406 -16.767 1.00 60.34 H new ATOM 0 HD13 ILE A 87 11.937 -5.837 -17.503 1.00 60.34 H new ATOM 1372 N LEU A 88 11.491 -3.265 -19.901 1.00 13.21 N ATOM 1373 CA LEU A 88 10.053 -3.017 -19.881 1.00 42.02 C ATOM 1374 C LEU A 88 9.381 -3.798 -18.756 1.00 44.03 C ATOM 1375 O LEU A 88 8.907 -3.217 -17.779 1.00 64.45 O ATOM 1376 CB LEU A 88 9.431 -3.400 -21.225 1.00 43.33 C ATOM 1377 CG LEU A 88 9.893 -2.586 -22.435 1.00 3.14 C ATOM 1378 CD1 LEU A 88 9.241 -3.104 -23.707 1.00 40.41 C ATOM 1379 CD2 LEU A 88 9.581 -1.110 -22.235 1.00 74.02 C ATOM 0 H LEU A 88 11.853 -3.578 -20.802 1.00 13.21 H new ATOM 0 HA LEU A 88 9.895 -1.953 -19.704 1.00 42.02 H new ATOM 0 HB2 LEU A 88 9.646 -4.451 -21.416 1.00 43.33 H new ATOM 0 HB3 LEU A 88 8.348 -3.307 -21.141 1.00 43.33 H new ATOM 0 HG LEU A 88 10.973 -2.698 -22.534 1.00 3.14 H new ATOM 0 HD11 LEU A 88 9.581 -2.513 -24.557 1.00 40.41 H new ATOM 0 HD12 LEU A 88 9.516 -4.148 -23.858 1.00 40.41 H new ATOM 0 HD13 LEU A 88 8.158 -3.023 -23.619 1.00 40.41 H new ATOM 0 HD21 LEU A 88 9.916 -0.546 -23.105 1.00 74.02 H new ATOM 0 HD22 LEU A 88 8.506 -0.979 -22.110 1.00 74.02 H new ATOM 0 HD23 LEU A 88 10.097 -0.746 -21.346 1.00 74.02 H new ATOM 1391 N LYS A 89 9.346 -5.118 -18.899 1.00 73.52 N ATOM 1392 CA LYS A 89 8.736 -5.981 -17.894 1.00 74.14 C ATOM 1393 C LYS A 89 9.264 -7.407 -18.008 1.00 64.32 C ATOM 1394 O LYS A 89 10.055 -7.718 -18.900 1.00 42.21 O ATOM 1395 CB LYS A 89 7.213 -5.977 -18.046 1.00 12.24 C ATOM 1396 CG LYS A 89 6.741 -6.286 -19.456 1.00 33.33 C ATOM 1397 CD LYS A 89 5.350 -6.898 -19.456 1.00 72.24 C ATOM 1398 CE LYS A 89 4.271 -5.830 -19.548 1.00 0.14 C ATOM 1399 NZ LYS A 89 4.366 -5.052 -20.814 1.00 4.13 N ATOM 0 H LYS A 89 9.733 -5.614 -19.702 1.00 73.52 H new ATOM 0 HA LYS A 89 8.999 -5.593 -16.910 1.00 74.14 H new ATOM 0 HB2 LYS A 89 6.786 -6.709 -17.360 1.00 12.24 H new ATOM 0 HB3 LYS A 89 6.829 -5.001 -17.749 1.00 12.24 H new ATOM 0 HG2 LYS A 89 6.737 -5.371 -20.048 1.00 33.33 H new ATOM 0 HG3 LYS A 89 7.441 -6.972 -19.933 1.00 33.33 H new ATOM 0 HD2 LYS A 89 5.254 -7.587 -20.296 1.00 72.24 H new ATOM 0 HD3 LYS A 89 5.208 -7.482 -18.547 1.00 72.24 H new ATOM 0 HE2 LYS A 89 3.289 -6.299 -19.483 1.00 0.14 H new ATOM 0 HE3 LYS A 89 4.357 -5.153 -18.698 1.00 0.14 H new ATOM 0 HZ1 LYS A 89 3.421 -4.713 -21.085 1.00 4.13 H new ATOM 0 HZ2 LYS A 89 4.999 -4.239 -20.675 1.00 4.13 H new ATOM 0 HZ3 LYS A 89 4.744 -5.660 -21.568 1.00 4.13 H new ATOM 1413 N LEU A 90 8.822 -8.271 -17.101 1.00 64.31 N ATOM 1414 CA LEU A 90 9.250 -9.666 -17.101 1.00 21.02 C ATOM 1415 C LEU A 90 9.036 -10.301 -18.471 1.00 24.52 C ATOM 1416 O LEU A 90 7.912 -10.638 -18.842 1.00 14.34 O ATOM 1417 CB LEU A 90 8.486 -10.454 -16.036 1.00 33.14 C ATOM 1418 CG LEU A 90 8.515 -9.874 -14.621 1.00 52.43 C ATOM 1419 CD1 LEU A 90 7.608 -10.672 -13.698 1.00 14.21 C ATOM 1420 CD2 LEU A 90 9.938 -9.850 -14.084 1.00 2.23 C ATOM 0 H LEU A 90 8.168 -8.031 -16.356 1.00 64.31 H new ATOM 0 HA LEU A 90 10.315 -9.694 -16.871 1.00 21.02 H new ATOM 0 HB2 LEU A 90 7.446 -10.538 -16.351 1.00 33.14 H new ATOM 0 HB3 LEU A 90 8.891 -11.465 -16.001 1.00 33.14 H new ATOM 0 HG LEU A 90 8.146 -8.849 -14.661 1.00 52.43 H new ATOM 0 HD11 LEU A 90 7.642 -10.244 -12.696 1.00 14.21 H new ATOM 0 HD12 LEU A 90 6.585 -10.637 -14.073 1.00 14.21 H new ATOM 0 HD13 LEU A 90 7.946 -11.708 -13.662 1.00 14.21 H new ATOM 0 HD21 LEU A 90 9.940 -9.434 -13.076 1.00 2.23 H new ATOM 0 HD22 LEU A 90 10.334 -10.865 -14.058 1.00 2.23 H new ATOM 0 HD23 LEU A 90 10.561 -9.233 -14.732 1.00 2.23 H new ATOM 1432 N ASP A 91 10.123 -10.465 -19.217 1.00 40.23 N ATOM 1433 CA ASP A 91 10.055 -11.063 -20.545 1.00 64.34 C ATOM 1434 C ASP A 91 9.413 -12.446 -20.486 1.00 42.24 C ATOM 1435 O ASP A 91 8.845 -12.920 -21.471 1.00 24.14 O ATOM 1436 CB ASP A 91 11.455 -11.163 -21.155 1.00 54.11 C ATOM 1437 CG ASP A 91 11.420 -11.302 -22.664 1.00 50.44 C ATOM 1438 OD1 ASP A 91 10.671 -10.542 -23.312 1.00 54.25 O ATOM 1439 OD2 ASP A 91 12.142 -12.171 -23.197 1.00 53.44 O ATOM 0 H ASP A 91 11.061 -10.192 -18.925 1.00 40.23 H new ATOM 0 HA ASP A 91 9.438 -10.422 -21.174 1.00 64.34 H new ATOM 0 HB2 ASP A 91 12.029 -10.276 -20.888 1.00 54.11 H new ATOM 0 HB3 ASP A 91 11.975 -12.020 -20.726 1.00 54.11 H new ATOM 1444 N TYR A 92 9.508 -13.087 -19.327 1.00 71.32 N ATOM 1445 CA TYR A 92 8.939 -14.417 -19.141 1.00 4.02 C ATOM 1446 C TYR A 92 7.641 -14.347 -18.343 1.00 21.34 C ATOM 1447 O TYR A 92 6.669 -15.036 -18.655 1.00 45.50 O ATOM 1448 CB TYR A 92 9.941 -15.327 -18.428 1.00 71.54 C ATOM 1449 CG TYR A 92 10.849 -16.084 -19.372 1.00 2.55 C ATOM 1450 CD1 TYR A 92 11.521 -15.428 -20.396 1.00 2.24 C ATOM 1451 CD2 TYR A 92 11.036 -17.454 -19.238 1.00 2.13 C ATOM 1452 CE1 TYR A 92 12.351 -16.115 -21.260 1.00 3.21 C ATOM 1453 CE2 TYR A 92 11.866 -18.149 -20.096 1.00 53.15 C ATOM 1454 CZ TYR A 92 12.521 -17.475 -21.106 1.00 75.02 C ATOM 1455 OH TYR A 92 13.348 -18.163 -21.964 1.00 52.33 O ATOM 0 H TYR A 92 9.973 -12.708 -18.502 1.00 71.32 H new ATOM 0 HA TYR A 92 8.717 -14.831 -20.125 1.00 4.02 H new ATOM 0 HB2 TYR A 92 10.551 -14.725 -17.755 1.00 71.54 H new ATOM 0 HB3 TYR A 92 9.396 -16.041 -17.811 1.00 71.54 H new ATOM 0 HD1 TYR A 92 11.392 -14.363 -20.518 1.00 2.24 H new ATOM 0 HD2 TYR A 92 10.524 -17.985 -18.449 1.00 2.13 H new ATOM 0 HE1 TYR A 92 12.864 -15.590 -22.052 1.00 3.21 H new ATOM 0 HE2 TYR A 92 12.001 -19.214 -19.977 1.00 53.15 H new ATOM 0 HH TYR A 92 13.358 -19.112 -21.718 1.00 52.33 H new ATOM 1465 N SER A 93 7.633 -13.510 -17.310 1.00 70.13 N ATOM 1466 CA SER A 93 6.456 -13.351 -16.464 1.00 61.30 C ATOM 1467 C SER A 93 6.010 -14.695 -15.897 1.00 35.41 C ATOM 1468 O SER A 93 4.832 -14.895 -15.597 1.00 42.11 O ATOM 1469 CB SER A 93 5.313 -12.715 -17.257 1.00 44.25 C ATOM 1470 OG SER A 93 5.413 -11.301 -17.250 1.00 61.23 O ATOM 0 H SER A 93 8.428 -12.932 -17.039 1.00 70.13 H new ATOM 0 HA SER A 93 6.721 -12.696 -15.634 1.00 61.30 H new ATOM 0 HB2 SER A 93 5.332 -13.079 -18.284 1.00 44.25 H new ATOM 0 HB3 SER A 93 4.357 -13.017 -16.829 1.00 44.25 H new ATOM 0 HG SER A 93 6.121 -11.020 -17.867 1.00 61.23 H new ATOM 1476 N ASP A 94 6.958 -15.614 -15.753 1.00 22.02 N ATOM 1477 CA ASP A 94 6.665 -16.940 -15.221 1.00 15.32 C ATOM 1478 C ASP A 94 7.951 -17.717 -14.958 1.00 14.13 C ATOM 1479 O ASP A 94 8.979 -17.466 -15.586 1.00 4.13 O ATOM 1480 CB ASP A 94 5.774 -17.717 -16.192 1.00 1.51 C ATOM 1481 CG ASP A 94 6.567 -18.374 -17.304 1.00 73.24 C ATOM 1482 OD1 ASP A 94 6.914 -17.675 -18.279 1.00 41.03 O ATOM 1483 OD2 ASP A 94 6.840 -19.588 -17.200 1.00 3.13 O ATOM 0 H ASP A 94 7.937 -15.465 -15.997 1.00 22.02 H new ATOM 0 HA ASP A 94 6.137 -16.816 -14.275 1.00 15.32 H new ATOM 0 HB2 ASP A 94 5.222 -18.480 -15.643 1.00 1.51 H new ATOM 0 HB3 ASP A 94 5.037 -17.041 -16.625 1.00 1.51 H new ATOM 1488 N PHE A 95 7.885 -18.661 -14.025 1.00 1.24 N ATOM 1489 CA PHE A 95 9.045 -19.473 -13.677 1.00 32.54 C ATOM 1490 C PHE A 95 8.957 -20.852 -14.324 1.00 72.33 C ATOM 1491 O PHE A 95 7.909 -21.497 -14.294 1.00 61.10 O ATOM 1492 CB PHE A 95 9.156 -19.617 -12.157 1.00 71.43 C ATOM 1493 CG PHE A 95 7.929 -20.203 -11.519 1.00 54.33 C ATOM 1494 CD1 PHE A 95 7.796 -21.574 -11.370 1.00 50.24 C ATOM 1495 CD2 PHE A 95 6.907 -19.382 -11.069 1.00 3.21 C ATOM 1496 CE1 PHE A 95 6.668 -22.116 -10.783 1.00 40.23 C ATOM 1497 CE2 PHE A 95 5.777 -19.918 -10.481 1.00 4.13 C ATOM 1498 CZ PHE A 95 5.657 -21.287 -10.339 1.00 10.51 C ATOM 0 H PHE A 95 7.041 -18.882 -13.497 1.00 1.24 H new ATOM 0 HA PHE A 95 9.936 -18.970 -14.054 1.00 32.54 H new ATOM 0 HB2 PHE A 95 10.014 -20.247 -11.921 1.00 71.43 H new ATOM 0 HB3 PHE A 95 9.350 -18.637 -11.720 1.00 71.43 H new ATOM 0 HD1 PHE A 95 8.583 -22.227 -11.717 1.00 50.24 H new ATOM 0 HD2 PHE A 95 6.995 -18.311 -11.179 1.00 3.21 H new ATOM 0 HE1 PHE A 95 6.578 -23.186 -10.672 1.00 40.23 H new ATOM 0 HE2 PHE A 95 4.988 -19.267 -10.133 1.00 4.13 H new ATOM 0 HZ PHE A 95 4.774 -21.708 -9.881 1.00 10.51 H new ATOM 1508 N GLN A 96 10.064 -21.296 -14.910 1.00 24.35 N ATOM 1509 CA GLN A 96 10.112 -22.598 -15.566 1.00 1.43 C ATOM 1510 C GLN A 96 11.534 -23.149 -15.578 1.00 71.14 C ATOM 1511 O GLN A 96 12.450 -22.518 -16.106 1.00 1.42 O ATOM 1512 CB GLN A 96 9.581 -22.491 -16.996 1.00 41.33 C ATOM 1513 CG GLN A 96 8.084 -22.727 -17.109 1.00 33.53 C ATOM 1514 CD GLN A 96 7.659 -24.064 -16.533 1.00 64.22 C ATOM 1515 OE1 GLN A 96 8.329 -25.079 -16.730 1.00 2.41 O ATOM 1516 NE2 GLN A 96 6.541 -24.073 -15.817 1.00 3.41 N ATOM 0 H GLN A 96 10.940 -20.774 -14.944 1.00 24.35 H new ATOM 0 HA GLN A 96 9.481 -23.285 -15.002 1.00 1.43 H new ATOM 0 HB2 GLN A 96 9.815 -21.501 -17.388 1.00 41.33 H new ATOM 0 HB3 GLN A 96 10.103 -23.214 -17.623 1.00 41.33 H new ATOM 0 HG2 GLN A 96 7.554 -21.928 -16.591 1.00 33.53 H new ATOM 0 HG3 GLN A 96 7.790 -22.677 -18.158 1.00 33.53 H new ATOM 0 HE21 GLN A 96 6.017 -23.209 -15.679 1.00 3.41 H new ATOM 0 HE22 GLN A 96 6.206 -24.944 -15.405 1.00 3.41 H new ATOM 1525 N ILE A 97 11.711 -24.329 -14.994 1.00 74.44 N ATOM 1526 CA ILE A 97 13.021 -24.966 -14.940 1.00 11.54 C ATOM 1527 C ILE A 97 13.332 -25.697 -16.241 1.00 34.42 C ATOM 1528 O ILE A 97 12.647 -26.653 -16.607 1.00 1.00 O ATOM 1529 CB ILE A 97 13.115 -25.961 -13.769 1.00 34.55 C ATOM 1530 CG1 ILE A 97 12.869 -25.244 -12.440 1.00 31.25 C ATOM 1531 CG2 ILE A 97 14.473 -26.647 -13.764 1.00 12.14 C ATOM 1532 CD1 ILE A 97 13.919 -24.207 -12.109 1.00 65.24 C ATOM 0 H ILE A 97 10.964 -24.864 -14.551 1.00 74.44 H new ATOM 0 HA ILE A 97 13.752 -24.171 -14.790 1.00 11.54 H new ATOM 0 HB ILE A 97 12.346 -26.723 -13.897 1.00 34.55 H new ATOM 0 HG12 ILE A 97 11.892 -24.762 -12.472 1.00 31.25 H new ATOM 0 HG13 ILE A 97 12.834 -25.983 -11.639 1.00 31.25 H new ATOM 0 HG21 ILE A 97 14.524 -27.347 -12.930 1.00 12.14 H new ATOM 0 HG22 ILE A 97 14.611 -27.187 -14.701 1.00 12.14 H new ATOM 0 HG23 ILE A 97 15.258 -25.899 -13.658 1.00 12.14 H new ATOM 0 HD11 ILE A 97 13.680 -23.739 -11.154 1.00 65.24 H new ATOM 0 HD12 ILE A 97 14.896 -24.686 -12.044 1.00 65.24 H new ATOM 0 HD13 ILE A 97 13.939 -23.447 -12.890 1.00 65.24 H new ATOM 1544 N VAL A 98 14.370 -25.243 -16.935 1.00 60.44 N ATOM 1545 CA VAL A 98 14.774 -25.857 -18.195 1.00 3.51 C ATOM 1546 C VAL A 98 15.734 -27.017 -17.958 1.00 45.21 C ATOM 1547 O VAL A 98 16.494 -27.021 -16.989 1.00 61.02 O ATOM 1548 CB VAL A 98 15.445 -24.831 -19.128 1.00 63.43 C ATOM 1549 CG1 VAL A 98 15.687 -25.438 -20.502 1.00 51.11 C ATOM 1550 CG2 VAL A 98 14.598 -23.573 -19.234 1.00 12.44 C ATOM 0 H VAL A 98 14.947 -24.453 -16.647 1.00 60.44 H new ATOM 0 HA VAL A 98 13.868 -26.232 -18.671 1.00 3.51 H new ATOM 0 HB VAL A 98 16.410 -24.556 -18.703 1.00 63.43 H new ATOM 0 HG11 VAL A 98 16.162 -24.699 -21.148 1.00 51.11 H new ATOM 0 HG12 VAL A 98 16.337 -26.307 -20.406 1.00 51.11 H new ATOM 0 HG13 VAL A 98 14.736 -25.743 -20.938 1.00 51.11 H new ATOM 0 HG21 VAL A 98 15.088 -22.860 -19.897 1.00 12.44 H new ATOM 0 HG22 VAL A 98 13.617 -23.828 -19.636 1.00 12.44 H new ATOM 0 HG23 VAL A 98 14.481 -23.129 -18.246 1.00 12.44 H new ATOM 1560 N LYS A 99 15.696 -28.001 -18.850 1.00 51.21 N ATOM 1561 CA LYS A 99 16.564 -29.168 -18.741 1.00 14.51 C ATOM 1562 C LYS A 99 18.021 -28.748 -18.578 1.00 21.30 C ATOM 1563 O LYS A 99 18.478 -27.798 -19.213 1.00 4.52 O ATOM 1564 CB LYS A 99 16.413 -30.058 -19.976 1.00 60.12 C ATOM 1565 CG LYS A 99 15.178 -30.941 -19.943 1.00 34.14 C ATOM 1566 CD LYS A 99 13.984 -30.255 -20.586 1.00 63.12 C ATOM 1567 CE LYS A 99 13.037 -31.263 -21.220 1.00 3.40 C ATOM 1568 NZ LYS A 99 13.643 -31.921 -22.410 1.00 45.13 N ATOM 0 H LYS A 99 15.073 -28.014 -19.657 1.00 51.21 H new ATOM 0 HA LYS A 99 16.266 -29.731 -17.857 1.00 14.51 H new ATOM 0 HB2 LYS A 99 16.375 -29.428 -20.865 1.00 60.12 H new ATOM 0 HB3 LYS A 99 17.297 -30.688 -20.069 1.00 60.12 H new ATOM 0 HG2 LYS A 99 15.385 -31.876 -20.463 1.00 34.14 H new ATOM 0 HG3 LYS A 99 14.940 -31.196 -18.910 1.00 34.14 H new ATOM 0 HD2 LYS A 99 13.449 -29.674 -19.835 1.00 63.12 H new ATOM 0 HD3 LYS A 99 14.331 -29.553 -21.344 1.00 63.12 H new ATOM 0 HE2 LYS A 99 12.767 -32.021 -20.484 1.00 3.40 H new ATOM 0 HE3 LYS A 99 12.115 -30.761 -21.513 1.00 3.40 H new ATOM 0 HZ1 LYS A 99 12.889 -32.268 -23.036 1.00 45.13 H new ATOM 0 HZ2 LYS A 99 14.232 -31.235 -22.924 1.00 45.13 H new ATOM 0 HZ3 LYS A 99 14.233 -32.720 -22.102 1.00 45.13 H new