USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 993 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 80:sc= 1.24 USER MOD Set 1.2: A 10 HIS : no HD1:sc= 0.536 K(o=0.6,f=-2.8) USER MOD Set 1.3: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 16 GLN : amide:sc= -1.17 K(o=0.6,f=2) USER MOD Set 2.1: A 7 HIS : no HE2:sc= -0.014 K(o=-0.031,f=-2.3!) USER MOD Set 2.2: A 112 SER OG : rot -150:sc= -0.017 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.0715 (180deg=-0.453) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.403 K(o=-0.4,f=-3.6!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -139:sc= -0.179 (180deg=-0.836) USER MOD Single : A 12 ASN : amide:sc= 0.488 K(o=0.49,f=-0.036) USER MOD Single : A 17 THR OG1 : rot 54:sc= 1.29 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0888 (180deg=-0.327) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.414 K(o=0.41,f=-1.8) USER MOD Single : A 44 SER OG : rot 86:sc= 0.538 USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= -1.11! (180deg=-4.8!) USER MOD Single : A 52 CYS SG : rot 69:sc= -1.52 USER MOD Single : A 62 THR OG1 : rot 98:sc= 0.875 USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= -2.66! (180deg=-6.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -101:sc= -1.71 USER MOD Single : A 78 SER OG : rot 140:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0796! C(o=0.08!,f=-6.4!) USER MOD Single : A 87 CYS SG : rot 144:sc= -2.03! USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.295 K(o=-0.29,f=-3!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.61) USER MOD Single : A 105 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.66) USER MOD Single : A 106 ASN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 108 ASN : amide:sc= -2.14! C(o=-2.1!,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.68) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 77:sc= 0.886 USER MOD Single : A 118 ASN : amide:sc= 1.22 K(o=1.2,f=-0.074) USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0473) USER MOD Single : A 121 THR OG1 : rot -86:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.045 -7.245 -29.856 1.00 2.04 N ATOM 2 CA MET A 1 -7.832 -8.100 -29.781 1.00 15.15 C ATOM 3 C MET A 1 -6.817 -7.536 -28.772 1.00 61.22 C ATOM 4 O MET A 1 -6.594 -8.122 -27.711 1.00 71.31 O ATOM 5 CB MET A 1 -7.185 -8.222 -31.169 1.00 32.12 C ATOM 6 CG MET A 1 -5.953 -9.122 -31.196 1.00 54.22 C ATOM 7 SD MET A 1 -6.317 -10.816 -30.685 1.00 53.14 S ATOM 8 CE MET A 1 -7.448 -11.333 -31.977 1.00 21.33 C ATOM 0 H1 MET A 1 -9.712 -7.649 -30.544 1.00 2.04 H new ATOM 0 H2 MET A 1 -9.497 -7.201 -28.920 1.00 2.04 H new ATOM 0 H3 MET A 1 -8.776 -6.286 -30.156 1.00 2.04 H new ATOM 0 HA MET A 1 -8.136 -9.089 -29.439 1.00 15.15 H new ATOM 0 HB2 MET A 1 -7.923 -8.610 -31.871 1.00 32.12 H new ATOM 0 HB3 MET A 1 -6.905 -7.228 -31.518 1.00 32.12 H new ATOM 0 HG2 MET A 1 -5.537 -9.132 -32.204 1.00 54.22 H new ATOM 0 HG3 MET A 1 -5.189 -8.705 -30.540 1.00 54.22 H new ATOM 0 HE1 MET A 1 -7.197 -12.345 -32.297 1.00 21.33 H new ATOM 0 HE2 MET A 1 -8.469 -11.315 -31.595 1.00 21.33 H new ATOM 0 HE3 MET A 1 -7.366 -10.654 -32.826 1.00 21.33 H new ATOM 20 N GLY A 2 -6.215 -6.390 -29.108 1.00 51.11 N ATOM 21 CA GLY A 2 -5.220 -5.766 -28.235 1.00 21.15 C ATOM 22 C GLY A 2 -4.035 -6.676 -27.896 1.00 65.41 C ATOM 23 O GLY A 2 -3.714 -7.600 -28.647 1.00 51.53 O ATOM 0 H GLY A 2 -6.399 -5.880 -29.972 1.00 51.11 H new ATOM 0 HA2 GLY A 2 -4.846 -4.862 -28.715 1.00 21.15 H new ATOM 0 HA3 GLY A 2 -5.705 -5.458 -27.309 1.00 21.15 H new ATOM 27 N HIS A 3 -3.378 -6.403 -26.771 1.00 15.34 N ATOM 28 CA HIS A 3 -2.265 -7.235 -26.290 1.00 24.31 C ATOM 29 C HIS A 3 -2.577 -7.870 -24.921 1.00 24.04 C ATOM 30 O HIS A 3 -1.737 -8.563 -24.348 1.00 35.00 O ATOM 31 CB HIS A 3 -0.977 -6.407 -26.202 1.00 2.32 C ATOM 32 CG HIS A 3 -0.472 -5.941 -27.535 1.00 61.41 C ATOM 33 ND1 HIS A 3 0.136 -6.780 -28.445 1.00 74.32 N ATOM 34 CD2 HIS A 3 -0.486 -4.715 -28.117 1.00 30.30 C ATOM 35 CE1 HIS A 3 0.474 -6.096 -29.518 1.00 33.52 C ATOM 36 NE2 HIS A 3 0.108 -4.843 -29.348 1.00 13.31 N ATOM 0 H HIS A 3 -3.595 -5.609 -26.169 1.00 15.34 H new ATOM 0 HA HIS A 3 -2.126 -8.042 -27.010 1.00 24.31 H new ATOM 0 HB2 HIS A 3 -1.155 -5.539 -25.567 1.00 2.32 H new ATOM 0 HB3 HIS A 3 -0.204 -7.003 -25.718 1.00 2.32 H new ATOM 0 HD2 HIS A 3 -0.889 -3.808 -27.691 1.00 30.30 H new ATOM 0 HE1 HIS A 3 0.968 -6.496 -30.391 1.00 33.52 H new ATOM 0 HE2 HIS A 3 0.244 -4.089 -30.022 1.00 13.31 H new ATOM 45 N HIS A 4 -3.789 -7.619 -24.411 1.00 10.21 N ATOM 46 CA HIS A 4 -4.276 -8.195 -23.139 1.00 72.20 C ATOM 47 C HIS A 4 -3.594 -7.589 -21.892 1.00 41.35 C ATOM 48 O HIS A 4 -4.268 -7.225 -20.928 1.00 23.14 O ATOM 49 CB HIS A 4 -4.128 -9.724 -23.130 1.00 62.31 C ATOM 50 CG HIS A 4 -4.841 -10.401 -24.263 1.00 62.20 C ATOM 51 ND1 HIS A 4 -6.210 -10.555 -24.304 1.00 13.13 N ATOM 52 CD2 HIS A 4 -4.371 -10.963 -25.401 1.00 74.15 C ATOM 53 CE1 HIS A 4 -6.549 -11.180 -25.412 1.00 15.35 C ATOM 54 NE2 HIS A 4 -5.456 -11.438 -26.097 1.00 1.11 N ATOM 0 H HIS A 4 -4.467 -7.008 -24.867 1.00 10.21 H new ATOM 0 HA HIS A 4 -5.333 -7.935 -23.081 1.00 72.20 H new ATOM 0 HB2 HIS A 4 -3.069 -9.979 -23.174 1.00 62.31 H new ATOM 0 HB3 HIS A 4 -4.511 -10.113 -22.186 1.00 62.31 H new ATOM 0 HD2 HIS A 4 -3.337 -11.026 -25.705 1.00 74.15 H new ATOM 0 HE1 HIS A 4 -7.555 -11.438 -25.709 1.00 15.35 H new ATOM 0 HE2 HIS A 4 -5.420 -11.914 -26.999 1.00 1.11 H new ATOM 63 N HIS A 5 -2.266 -7.487 -21.904 1.00 13.10 N ATOM 64 CA HIS A 5 -1.520 -6.973 -20.745 1.00 72.51 C ATOM 65 C HIS A 5 -1.730 -5.461 -20.548 1.00 4.15 C ATOM 66 O HIS A 5 -0.907 -4.643 -20.965 1.00 4.33 O ATOM 67 CB HIS A 5 -0.025 -7.280 -20.893 1.00 15.32 C ATOM 68 CG HIS A 5 0.280 -8.740 -21.030 1.00 41.13 C ATOM 69 ND1 HIS A 5 0.299 -9.607 -19.960 1.00 45.53 N ATOM 70 CD2 HIS A 5 0.576 -9.486 -22.119 1.00 74.31 C ATOM 71 CE1 HIS A 5 0.597 -10.819 -20.382 1.00 22.30 C ATOM 72 NE2 HIS A 5 0.768 -10.772 -21.687 1.00 21.12 N ATOM 0 H HIS A 5 -1.682 -7.751 -22.697 1.00 13.10 H new ATOM 0 HA HIS A 5 -1.907 -7.479 -19.861 1.00 72.51 H new ATOM 0 HB2 HIS A 5 0.360 -6.754 -21.767 1.00 15.32 H new ATOM 0 HB3 HIS A 5 0.505 -6.887 -20.025 1.00 15.32 H new ATOM 0 HD2 HIS A 5 0.648 -9.134 -23.138 1.00 74.31 H new ATOM 0 HE1 HIS A 5 0.686 -11.700 -19.764 1.00 22.30 H new ATOM 0 HE2 HIS A 5 1.005 -11.566 -22.281 1.00 21.12 H new ATOM 81 N HIS A 6 -2.845 -5.092 -19.917 1.00 20.45 N ATOM 82 CA HIS A 6 -3.164 -3.680 -19.676 1.00 41.13 C ATOM 83 C HIS A 6 -2.951 -3.286 -18.205 1.00 50.22 C ATOM 84 O HIS A 6 -3.745 -3.632 -17.329 1.00 42.01 O ATOM 85 CB HIS A 6 -4.605 -3.363 -20.122 1.00 34.35 C ATOM 86 CG HIS A 6 -5.652 -4.251 -19.520 1.00 73.22 C ATOM 87 ND1 HIS A 6 -6.009 -5.465 -20.065 1.00 62.13 N ATOM 88 CD2 HIS A 6 -6.420 -4.104 -18.411 1.00 52.20 C ATOM 89 CE1 HIS A 6 -6.942 -6.024 -19.322 1.00 62.43 C ATOM 90 NE2 HIS A 6 -7.206 -5.220 -18.315 1.00 62.33 N ATOM 0 H HIS A 6 -3.542 -5.747 -19.563 1.00 20.45 H new ATOM 0 HA HIS A 6 -2.475 -3.085 -20.275 1.00 41.13 H new ATOM 0 HB2 HIS A 6 -4.832 -2.329 -19.864 1.00 34.35 H new ATOM 0 HB3 HIS A 6 -4.661 -3.441 -21.208 1.00 34.35 H new ATOM 0 HD1 HIS A 6 -5.612 -5.869 -20.913 1.00 62.13 H new ATOM 0 HD2 HIS A 6 -6.412 -3.264 -17.732 1.00 52.20 H new ATOM 0 HE1 HIS A 6 -7.410 -6.979 -19.508 1.00 62.43 H new ATOM 99 N HIS A 7 -1.848 -2.593 -17.943 1.00 52.44 N ATOM 100 CA HIS A 7 -1.580 -2.002 -16.626 1.00 40.33 C ATOM 101 C HIS A 7 -1.027 -0.579 -16.777 1.00 54.51 C ATOM 102 O HIS A 7 -1.308 0.299 -15.964 1.00 30.44 O ATOM 103 CB HIS A 7 -0.595 -2.868 -15.826 1.00 52.01 C ATOM 104 CG HIS A 7 -1.149 -4.206 -15.435 1.00 40.34 C ATOM 105 ND1 HIS A 7 -0.638 -5.399 -15.895 1.00 55.23 N ATOM 106 CD2 HIS A 7 -2.177 -4.537 -14.615 1.00 55.32 C ATOM 107 CE1 HIS A 7 -1.321 -6.399 -15.383 1.00 61.31 C ATOM 108 NE2 HIS A 7 -2.260 -5.906 -14.604 1.00 14.31 N ATOM 0 H HIS A 7 -1.114 -2.423 -18.631 1.00 52.44 H new ATOM 0 HA HIS A 7 -2.522 -1.958 -16.080 1.00 40.33 H new ATOM 0 HB2 HIS A 7 0.308 -3.017 -16.418 1.00 52.01 H new ATOM 0 HB3 HIS A 7 -0.300 -2.329 -14.925 1.00 52.01 H new ATOM 0 HD1 HIS A 7 0.150 -5.493 -16.535 1.00 55.23 H new ATOM 0 HD2 HIS A 7 -2.811 -3.851 -14.073 1.00 55.32 H new ATOM 0 HE1 HIS A 7 -1.142 -7.447 -15.570 1.00 61.31 H new ATOM 117 N HIS A 8 -0.239 -0.356 -17.829 1.00 61.23 N ATOM 118 CA HIS A 8 0.324 0.970 -18.100 1.00 34.44 C ATOM 119 C HIS A 8 -0.542 1.761 -19.091 1.00 51.54 C ATOM 120 O HIS A 8 -0.333 1.698 -20.301 1.00 35.02 O ATOM 121 CB HIS A 8 1.755 0.849 -18.638 1.00 53.01 C ATOM 122 CG HIS A 8 2.691 0.145 -17.706 1.00 22.41 C ATOM 123 ND1 HIS A 8 3.260 0.754 -16.610 1.00 75.50 N ATOM 124 CD2 HIS A 8 3.157 -1.126 -17.707 1.00 41.15 C ATOM 125 CE1 HIS A 8 4.034 -0.106 -15.982 1.00 12.25 C ATOM 126 NE2 HIS A 8 3.991 -1.255 -16.625 1.00 62.34 N ATOM 0 H HIS A 8 0.024 -1.072 -18.506 1.00 61.23 H new ATOM 0 HA HIS A 8 0.341 1.515 -17.156 1.00 34.44 H new ATOM 0 HB2 HIS A 8 1.733 0.315 -19.588 1.00 53.01 H new ATOM 0 HB3 HIS A 8 2.142 1.847 -18.842 1.00 53.01 H new ATOM 0 HD2 HIS A 8 2.917 -1.895 -18.426 1.00 41.15 H new ATOM 0 HE1 HIS A 8 4.608 0.096 -15.090 1.00 12.25 H new ATOM 0 HE2 HIS A 8 4.495 -2.102 -16.362 1.00 62.34 H new ATOM 135 N SER A 9 -1.530 2.483 -18.574 1.00 53.13 N ATOM 136 CA SER A 9 -2.341 3.392 -19.401 1.00 70.31 C ATOM 137 C SER A 9 -1.582 4.700 -19.659 1.00 22.24 C ATOM 138 O SER A 9 -1.743 5.340 -20.697 1.00 11.34 O ATOM 139 CB SER A 9 -3.683 3.692 -18.714 1.00 1.51 C ATOM 140 OG SER A 9 -3.490 4.276 -17.433 1.00 44.04 O ATOM 0 H SER A 9 -1.794 2.462 -17.589 1.00 53.13 H new ATOM 0 HA SER A 9 -2.537 2.903 -20.355 1.00 70.31 H new ATOM 0 HB2 SER A 9 -4.270 4.366 -19.338 1.00 1.51 H new ATOM 0 HB3 SER A 9 -4.256 2.770 -18.613 1.00 1.51 H new ATOM 0 HG SER A 9 -3.298 5.232 -17.535 1.00 44.04 H new ATOM 146 N HIS A 10 -0.737 5.072 -18.701 1.00 3.15 N ATOM 147 CA HIS A 10 0.086 6.282 -18.794 1.00 20.03 C ATOM 148 C HIS A 10 1.395 6.106 -18.001 1.00 24.23 C ATOM 149 O HIS A 10 1.533 5.161 -17.222 1.00 21.14 O ATOM 150 CB HIS A 10 -0.702 7.493 -18.276 1.00 11.41 C ATOM 151 CG HIS A 10 -1.321 7.275 -16.928 1.00 54.30 C ATOM 152 ND1 HIS A 10 -2.604 6.809 -16.763 1.00 40.22 N ATOM 153 CD2 HIS A 10 -0.830 7.456 -15.678 1.00 2.23 C ATOM 154 CE1 HIS A 10 -2.879 6.714 -15.480 1.00 64.13 C ATOM 155 NE2 HIS A 10 -1.823 7.099 -14.793 1.00 41.14 N ATOM 0 H HIS A 10 -0.601 4.546 -17.838 1.00 3.15 H new ATOM 0 HA HIS A 10 0.343 6.454 -19.839 1.00 20.03 H new ATOM 0 HB2 HIS A 10 -0.036 8.355 -18.226 1.00 11.41 H new ATOM 0 HB3 HIS A 10 -1.487 7.738 -18.992 1.00 11.41 H new ATOM 0 HD2 HIS A 10 0.157 7.814 -15.423 1.00 2.23 H new ATOM 0 HE1 HIS A 10 -3.815 6.376 -15.060 1.00 64.13 H new ATOM 0 HE2 HIS A 10 -1.753 7.128 -13.776 1.00 41.14 H new ATOM 164 N MET A 11 2.346 7.015 -18.195 1.00 23.33 N ATOM 165 CA MET A 11 3.653 6.926 -17.526 1.00 71.10 C ATOM 166 C MET A 11 3.670 7.712 -16.201 1.00 53.05 C ATOM 167 O MET A 11 2.711 8.410 -15.865 1.00 53.54 O ATOM 168 CB MET A 11 4.753 7.458 -18.457 1.00 30.43 C ATOM 169 CG MET A 11 4.840 6.729 -19.793 1.00 13.30 C ATOM 170 SD MET A 11 6.094 7.428 -20.889 1.00 40.32 S ATOM 171 CE MET A 11 5.474 9.099 -21.101 1.00 62.11 C ATOM 0 H MET A 11 2.242 7.823 -18.808 1.00 23.33 H new ATOM 0 HA MET A 11 3.838 5.877 -17.296 1.00 71.10 H new ATOM 0 HB2 MET A 11 4.576 8.517 -18.644 1.00 30.43 H new ATOM 0 HB3 MET A 11 5.714 7.380 -17.949 1.00 30.43 H new ATOM 0 HG2 MET A 11 5.065 5.678 -19.614 1.00 13.30 H new ATOM 0 HG3 MET A 11 3.869 6.768 -20.287 1.00 13.30 H new ATOM 0 HE1 MET A 11 5.593 9.402 -22.141 1.00 62.11 H new ATOM 0 HE2 MET A 11 4.418 9.132 -20.831 1.00 62.11 H new ATOM 0 HE3 MET A 11 6.034 9.779 -20.459 1.00 62.11 H new ATOM 181 N ASN A 12 4.762 7.565 -15.442 1.00 13.10 N ATOM 182 CA ASN A 12 4.999 8.347 -14.212 1.00 34.13 C ATOM 183 C ASN A 12 3.926 8.112 -13.130 1.00 64.41 C ATOM 184 O ASN A 12 3.815 8.892 -12.183 1.00 32.42 O ATOM 185 CB ASN A 12 5.078 9.841 -14.546 1.00 71.40 C ATOM 186 CG ASN A 12 6.193 10.154 -15.527 1.00 61.33 C ATOM 187 OD1 ASN A 12 6.003 10.103 -16.738 1.00 33.03 O ATOM 188 ND2 ASN A 12 7.358 10.492 -15.019 1.00 52.00 N ATOM 0 H ASN A 12 5.508 6.904 -15.658 1.00 13.10 H new ATOM 0 HA ASN A 12 5.948 8.002 -13.801 1.00 34.13 H new ATOM 0 HB2 ASN A 12 4.126 10.168 -14.965 1.00 71.40 H new ATOM 0 HB3 ASN A 12 5.234 10.408 -13.629 1.00 71.40 H new ATOM 0 HD21 ASN A 12 8.137 10.721 -15.637 1.00 52.00 H new ATOM 0 HD22 ASN A 12 7.483 10.525 -14.007 1.00 52.00 H new ATOM 195 N SER A 13 3.166 7.022 -13.255 1.00 62.44 N ATOM 196 CA SER A 13 2.094 6.696 -12.295 1.00 44.20 C ATOM 197 C SER A 13 2.567 6.800 -10.836 1.00 4.13 C ATOM 198 O SER A 13 1.811 7.221 -9.960 1.00 15.42 O ATOM 199 CB SER A 13 1.552 5.279 -12.552 1.00 22.32 C ATOM 200 OG SER A 13 1.054 5.143 -13.875 1.00 62.03 O ATOM 0 H SER A 13 3.269 6.345 -14.011 1.00 62.44 H new ATOM 0 HA SER A 13 1.303 7.430 -12.448 1.00 44.20 H new ATOM 0 HB2 SER A 13 2.344 4.550 -12.384 1.00 22.32 H new ATOM 0 HB3 SER A 13 0.758 5.057 -11.839 1.00 22.32 H new ATOM 0 HG SER A 13 0.719 4.232 -14.006 1.00 62.03 H new ATOM 206 N ALA A 14 3.827 6.433 -10.590 1.00 70.40 N ATOM 207 CA ALA A 14 4.408 6.459 -9.240 1.00 63.45 C ATOM 208 C ALA A 14 4.280 7.842 -8.570 1.00 42.44 C ATOM 209 O ALA A 14 3.965 7.935 -7.383 1.00 0.22 O ATOM 210 CB ALA A 14 5.872 6.031 -9.294 1.00 42.10 C ATOM 0 H ALA A 14 4.471 6.111 -11.313 1.00 70.40 H new ATOM 0 HA ALA A 14 3.843 5.755 -8.629 1.00 63.45 H new ATOM 0 HB1 ALA A 14 6.295 6.053 -8.290 1.00 42.10 H new ATOM 0 HB2 ALA A 14 5.941 5.020 -9.695 1.00 42.10 H new ATOM 0 HB3 ALA A 14 6.427 6.714 -9.937 1.00 42.10 H new ATOM 216 N GLU A 15 4.514 8.912 -9.338 1.00 12.05 N ATOM 217 CA GLU A 15 4.423 10.285 -8.813 1.00 70.33 C ATOM 218 C GLU A 15 3.022 10.576 -8.250 1.00 31.31 C ATOM 219 O GLU A 15 2.856 10.841 -7.057 1.00 71.42 O ATOM 220 CB GLU A 15 4.760 11.309 -9.911 1.00 0.15 C ATOM 221 CG GLU A 15 6.203 11.255 -10.405 1.00 14.33 C ATOM 222 CD GLU A 15 6.478 12.261 -11.516 1.00 21.23 C ATOM 223 OE1 GLU A 15 6.223 13.467 -11.307 1.00 21.23 O ATOM 224 OE2 GLU A 15 6.925 11.850 -12.610 1.00 4.42 O ATOM 0 H GLU A 15 4.768 8.857 -10.324 1.00 12.05 H new ATOM 0 HA GLU A 15 5.148 10.374 -8.004 1.00 70.33 H new ATOM 0 HB2 GLU A 15 4.093 11.148 -10.758 1.00 0.15 H new ATOM 0 HB3 GLU A 15 4.556 12.310 -9.531 1.00 0.15 H new ATOM 0 HG2 GLU A 15 6.877 11.448 -9.570 1.00 14.33 H new ATOM 0 HG3 GLU A 15 6.422 10.250 -10.767 1.00 14.33 H new ATOM 231 N GLN A 16 2.015 10.519 -9.121 1.00 41.55 N ATOM 232 CA GLN A 16 0.621 10.757 -8.720 1.00 40.24 C ATOM 233 C GLN A 16 0.110 9.711 -7.710 1.00 14.00 C ATOM 234 O GLN A 16 -0.864 9.960 -6.995 1.00 64.44 O ATOM 235 CB GLN A 16 -0.288 10.809 -9.959 1.00 53.04 C ATOM 236 CG GLN A 16 -0.094 9.651 -10.928 1.00 4.13 C ATOM 237 CD GLN A 16 -0.909 9.816 -12.200 1.00 24.44 C ATOM 238 OE1 GLN A 16 -2.010 10.356 -12.186 1.00 31.13 O ATOM 239 NE2 GLN A 16 -0.361 9.384 -13.316 1.00 40.43 N ATOM 0 H GLN A 16 2.135 10.310 -10.112 1.00 41.55 H new ATOM 0 HA GLN A 16 0.590 11.722 -8.214 1.00 40.24 H new ATOM 0 HB2 GLN A 16 -1.328 10.823 -9.632 1.00 53.04 H new ATOM 0 HB3 GLN A 16 -0.108 11.745 -10.488 1.00 53.04 H new ATOM 0 HG2 GLN A 16 0.962 9.569 -11.185 1.00 4.13 H new ATOM 0 HG3 GLN A 16 -0.376 8.719 -10.437 1.00 4.13 H new ATOM 0 HE21 GLN A 16 0.557 8.939 -13.295 1.00 40.43 H new ATOM 0 HE22 GLN A 16 -0.854 9.494 -14.202 1.00 40.43 H new ATOM 248 N THR A 17 0.764 8.549 -7.647 1.00 32.35 N ATOM 249 CA THR A 17 0.443 7.546 -6.617 1.00 23.55 C ATOM 250 C THR A 17 0.817 8.069 -5.223 1.00 51.05 C ATOM 251 O THR A 17 0.070 7.887 -4.259 1.00 11.12 O ATOM 252 CB THR A 17 1.158 6.193 -6.870 1.00 3.23 C ATOM 253 OG1 THR A 17 0.729 5.631 -8.122 1.00 12.12 O ATOM 254 CG2 THR A 17 0.878 5.195 -5.747 1.00 23.35 C ATOM 0 H THR A 17 1.511 8.277 -8.286 1.00 32.35 H new ATOM 0 HA THR A 17 -0.632 7.372 -6.670 1.00 23.55 H new ATOM 0 HB THR A 17 2.230 6.388 -6.901 1.00 3.23 H new ATOM 0 HG1 THR A 17 0.862 6.287 -8.838 1.00 12.12 H new ATOM 0 HG21 THR A 17 1.394 4.258 -5.956 1.00 23.35 H new ATOM 0 HG22 THR A 17 1.234 5.602 -4.801 1.00 23.35 H new ATOM 0 HG23 THR A 17 -0.195 5.012 -5.682 1.00 23.35 H new ATOM 262 N VAL A 18 1.973 8.733 -5.122 1.00 33.50 N ATOM 263 CA VAL A 18 2.369 9.406 -3.878 1.00 44.44 C ATOM 264 C VAL A 18 1.300 10.432 -3.468 1.00 5.50 C ATOM 265 O VAL A 18 0.784 10.401 -2.349 1.00 40.45 O ATOM 266 CB VAL A 18 3.733 10.137 -4.021 1.00 62.23 C ATOM 267 CG1 VAL A 18 4.152 10.775 -2.697 1.00 61.43 C ATOM 268 CG2 VAL A 18 4.817 9.188 -4.531 1.00 44.24 C ATOM 0 H VAL A 18 2.648 8.819 -5.881 1.00 33.50 H new ATOM 0 HA VAL A 18 2.468 8.634 -3.115 1.00 44.44 H new ATOM 0 HB VAL A 18 3.608 10.931 -4.757 1.00 62.23 H new ATOM 0 HG11 VAL A 18 5.110 11.280 -2.824 1.00 61.43 H new ATOM 0 HG12 VAL A 18 3.398 11.499 -2.387 1.00 61.43 H new ATOM 0 HG13 VAL A 18 4.248 10.002 -1.935 1.00 61.43 H new ATOM 0 HG21 VAL A 18 5.760 9.727 -4.621 1.00 44.24 H new ATOM 0 HG22 VAL A 18 4.937 8.362 -3.830 1.00 44.24 H new ATOM 0 HG23 VAL A 18 4.528 8.797 -5.506 1.00 44.24 H new ATOM 278 N THR A 19 0.957 11.321 -4.402 1.00 61.25 N ATOM 279 CA THR A 19 -0.088 12.333 -4.181 1.00 35.02 C ATOM 280 C THR A 19 -1.411 11.694 -3.731 1.00 4.34 C ATOM 281 O THR A 19 -2.102 12.219 -2.857 1.00 64.20 O ATOM 282 CB THR A 19 -0.345 13.158 -5.464 1.00 21.15 C ATOM 283 OG1 THR A 19 0.886 13.714 -5.946 1.00 5.10 O ATOM 284 CG2 THR A 19 -1.339 14.287 -5.206 1.00 43.52 C ATOM 0 H THR A 19 1.388 11.364 -5.325 1.00 61.25 H new ATOM 0 HA THR A 19 0.277 12.989 -3.391 1.00 35.02 H new ATOM 0 HB THR A 19 -0.767 12.487 -6.212 1.00 21.15 H new ATOM 0 HG1 THR A 19 0.714 14.233 -6.759 1.00 5.10 H new ATOM 0 HG21 THR A 19 -1.499 14.848 -6.126 1.00 43.52 H new ATOM 0 HG22 THR A 19 -2.286 13.867 -4.868 1.00 43.52 H new ATOM 0 HG23 THR A 19 -0.943 14.953 -4.439 1.00 43.52 H new ATOM 292 N TRP A 20 -1.751 10.556 -4.334 1.00 63.01 N ATOM 293 CA TRP A 20 -2.960 9.809 -3.972 1.00 54.11 C ATOM 294 C TRP A 20 -2.922 9.363 -2.498 1.00 13.41 C ATOM 295 O TRP A 20 -3.897 9.523 -1.762 1.00 21.23 O ATOM 296 CB TRP A 20 -3.120 8.593 -4.899 1.00 44.01 C ATOM 297 CG TRP A 20 -4.290 7.713 -4.560 1.00 2.51 C ATOM 298 CD1 TRP A 20 -5.604 8.085 -4.465 1.00 11.02 C ATOM 299 CD2 TRP A 20 -4.251 6.307 -4.288 1.00 31.53 C ATOM 300 NE1 TRP A 20 -6.379 6.995 -4.147 1.00 53.31 N ATOM 301 CE2 TRP A 20 -5.571 5.893 -4.032 1.00 64.14 C ATOM 302 CE3 TRP A 20 -3.225 5.359 -4.236 1.00 4.12 C ATOM 303 CZ2 TRP A 20 -5.892 4.573 -3.726 1.00 43.34 C ATOM 304 CZ3 TRP A 20 -3.545 4.049 -3.934 1.00 13.45 C ATOM 305 CH2 TRP A 20 -4.868 3.667 -3.683 1.00 24.23 C ATOM 0 H TRP A 20 -1.204 10.127 -5.080 1.00 63.01 H new ATOM 0 HA TRP A 20 -3.819 10.468 -4.095 1.00 54.11 H new ATOM 0 HB2 TRP A 20 -3.228 8.944 -5.925 1.00 44.01 H new ATOM 0 HB3 TRP A 20 -2.208 7.997 -4.860 1.00 44.01 H new ATOM 0 HD1 TRP A 20 -5.977 9.087 -4.617 1.00 11.02 H new ATOM 0 HE1 TRP A 20 -7.391 7.004 -4.018 1.00 53.31 H new ATOM 0 HE3 TRP A 20 -2.201 5.645 -4.428 1.00 4.12 H new ATOM 0 HZ2 TRP A 20 -6.912 4.276 -3.530 1.00 43.34 H new ATOM 0 HZ3 TRP A 20 -2.761 3.307 -3.891 1.00 13.45 H new ATOM 0 HH2 TRP A 20 -5.085 2.635 -3.450 1.00 24.23 H new ATOM 316 N LEU A 21 -1.787 8.821 -2.066 1.00 13.34 N ATOM 317 CA LEU A 21 -1.612 8.407 -0.668 1.00 14.25 C ATOM 318 C LEU A 21 -1.612 9.623 0.285 1.00 62.22 C ATOM 319 O LEU A 21 -2.056 9.532 1.435 1.00 43.23 O ATOM 320 CB LEU A 21 -0.313 7.601 -0.514 1.00 62.53 C ATOM 321 CG LEU A 21 -0.233 6.315 -1.353 1.00 75.44 C ATOM 322 CD1 LEU A 21 1.109 5.619 -1.143 1.00 21.40 C ATOM 323 CD2 LEU A 21 -1.387 5.371 -1.017 1.00 11.24 C ATOM 0 H LEU A 21 -0.973 8.656 -2.659 1.00 13.34 H new ATOM 0 HA LEU A 21 -2.456 7.774 -0.395 1.00 14.25 H new ATOM 0 HB2 LEU A 21 0.527 8.242 -0.782 1.00 62.53 H new ATOM 0 HB3 LEU A 21 -0.191 7.338 0.537 1.00 62.53 H new ATOM 0 HG LEU A 21 -0.317 6.591 -2.404 1.00 75.44 H new ATOM 0 HD11 LEU A 21 1.146 4.711 -1.745 1.00 21.40 H new ATOM 0 HD12 LEU A 21 1.916 6.287 -1.443 1.00 21.40 H new ATOM 0 HD13 LEU A 21 1.224 5.361 -0.090 1.00 21.40 H new ATOM 0 HD21 LEU A 21 -1.308 4.469 -1.624 1.00 11.24 H new ATOM 0 HD22 LEU A 21 -1.343 5.103 0.039 1.00 11.24 H new ATOM 0 HD23 LEU A 21 -2.335 5.867 -1.226 1.00 11.24 H new ATOM 335 N ILE A 22 -1.123 10.761 -0.206 1.00 54.12 N ATOM 336 CA ILE A 22 -1.111 12.007 0.571 1.00 3.15 C ATOM 337 C ILE A 22 -2.531 12.572 0.760 1.00 40.21 C ATOM 338 O ILE A 22 -2.923 12.935 1.872 1.00 35.12 O ATOM 339 CB ILE A 22 -0.225 13.082 -0.109 1.00 73.23 C ATOM 340 CG1 ILE A 22 1.231 12.597 -0.202 1.00 11.44 C ATOM 341 CG2 ILE A 22 -0.307 14.408 0.648 1.00 75.22 C ATOM 342 CD1 ILE A 22 2.141 13.541 -0.959 1.00 11.40 C ATOM 0 H ILE A 22 -0.728 10.849 -1.142 1.00 54.12 H new ATOM 0 HA ILE A 22 -0.696 11.762 1.549 1.00 3.15 H new ATOM 0 HB ILE A 22 -0.598 13.246 -1.120 1.00 73.23 H new ATOM 0 HG12 ILE A 22 1.623 12.459 0.805 1.00 11.44 H new ATOM 0 HG13 ILE A 22 1.249 11.622 -0.688 1.00 11.44 H new ATOM 0 HG21 ILE A 22 0.322 15.148 0.154 1.00 75.22 H new ATOM 0 HG22 ILE A 22 -1.339 14.758 0.658 1.00 75.22 H new ATOM 0 HG23 ILE A 22 0.038 14.264 1.672 1.00 75.22 H new ATOM 0 HD11 ILE A 22 3.151 13.132 -0.983 1.00 11.40 H new ATOM 0 HD12 ILE A 22 1.774 13.661 -1.978 1.00 11.40 H new ATOM 0 HD13 ILE A 22 2.154 14.511 -0.462 1.00 11.40 H new ATOM 354 N THR A 23 -3.304 12.637 -0.326 1.00 13.40 N ATOM 355 CA THR A 23 -4.668 13.192 -0.270 1.00 13.23 C ATOM 356 C THR A 23 -5.607 12.324 0.586 1.00 13.34 C ATOM 357 O THR A 23 -6.626 12.803 1.088 1.00 32.43 O ATOM 358 CB THR A 23 -5.288 13.375 -1.679 1.00 5.11 C ATOM 359 OG1 THR A 23 -6.577 13.997 -1.576 1.00 11.43 O ATOM 360 CG2 THR A 23 -5.432 12.044 -2.410 1.00 71.23 C ATOM 0 H THR A 23 -3.016 12.316 -1.251 1.00 13.40 H new ATOM 0 HA THR A 23 -4.567 14.172 0.196 1.00 13.23 H new ATOM 0 HB THR A 23 -4.612 14.011 -2.251 1.00 5.11 H new ATOM 0 HG1 THR A 23 -6.959 14.109 -2.472 1.00 11.43 H new ATOM 0 HG21 THR A 23 -5.870 12.215 -3.393 1.00 71.23 H new ATOM 0 HG22 THR A 23 -4.451 11.584 -2.525 1.00 71.23 H new ATOM 0 HG23 THR A 23 -6.078 11.381 -1.835 1.00 71.23 H new ATOM 368 N LEU A 24 -5.262 11.042 0.743 1.00 2.50 N ATOM 369 CA LEU A 24 -6.008 10.134 1.633 1.00 23.22 C ATOM 370 C LEU A 24 -5.464 10.190 3.074 1.00 63.24 C ATOM 371 O LEU A 24 -5.979 9.519 3.967 1.00 54.21 O ATOM 372 CB LEU A 24 -5.949 8.693 1.100 1.00 32.03 C ATOM 373 CG LEU A 24 -6.618 8.477 -0.269 1.00 55.04 C ATOM 374 CD1 LEU A 24 -6.456 7.032 -0.733 1.00 31.13 C ATOM 375 CD2 LEU A 24 -8.096 8.861 -0.217 1.00 74.31 C ATOM 0 H LEU A 24 -4.472 10.606 0.268 1.00 2.50 H new ATOM 0 HA LEU A 24 -7.047 10.464 1.651 1.00 23.22 H new ATOM 0 HB2 LEU A 24 -4.904 8.391 1.028 1.00 32.03 H new ATOM 0 HB3 LEU A 24 -6.423 8.033 1.827 1.00 32.03 H new ATOM 0 HG LEU A 24 -6.121 9.124 -0.991 1.00 55.04 H new ATOM 0 HD11 LEU A 24 -6.937 6.905 -1.703 1.00 31.13 H new ATOM 0 HD12 LEU A 24 -5.396 6.795 -0.820 1.00 31.13 H new ATOM 0 HD13 LEU A 24 -6.919 6.363 -0.008 1.00 31.13 H new ATOM 0 HD21 LEU A 24 -8.548 8.700 -1.196 1.00 74.31 H new ATOM 0 HD22 LEU A 24 -8.606 8.246 0.524 1.00 74.31 H new ATOM 0 HD23 LEU A 24 -8.190 9.912 0.058 1.00 74.31 H new ATOM 387 N GLY A 25 -4.412 10.986 3.280 1.00 24.20 N ATOM 388 CA GLY A 25 -3.850 11.188 4.618 1.00 21.41 C ATOM 389 C GLY A 25 -3.116 9.969 5.181 1.00 52.52 C ATOM 390 O GLY A 25 -2.866 9.893 6.387 1.00 2.11 O ATOM 0 H GLY A 25 -3.933 11.500 2.540 1.00 24.20 H new ATOM 0 HA2 GLY A 25 -3.160 12.031 4.586 1.00 21.41 H new ATOM 0 HA3 GLY A 25 -4.655 11.461 5.301 1.00 21.41 H new ATOM 394 N VAL A 26 -2.757 9.017 4.321 1.00 51.55 N ATOM 395 CA VAL A 26 -2.068 7.797 4.770 1.00 3.33 C ATOM 396 C VAL A 26 -0.545 7.885 4.570 1.00 24.35 C ATOM 397 O VAL A 26 0.218 7.178 5.232 1.00 12.42 O ATOM 398 CB VAL A 26 -2.617 6.536 4.060 1.00 13.15 C ATOM 399 CG1 VAL A 26 -4.101 6.364 4.362 1.00 50.44 C ATOM 400 CG2 VAL A 26 -2.372 6.592 2.554 1.00 74.25 C ATOM 0 H VAL A 26 -2.928 9.061 3.316 1.00 51.55 H new ATOM 0 HA VAL A 26 -2.267 7.711 5.838 1.00 3.33 H new ATOM 0 HB VAL A 26 -2.079 5.670 4.446 1.00 13.15 H new ATOM 0 HG11 VAL A 26 -4.474 5.473 3.856 1.00 50.44 H new ATOM 0 HG12 VAL A 26 -4.243 6.257 5.437 1.00 50.44 H new ATOM 0 HG13 VAL A 26 -4.648 7.238 4.008 1.00 50.44 H new ATOM 0 HG21 VAL A 26 -2.770 5.691 2.087 1.00 74.25 H new ATOM 0 HG22 VAL A 26 -2.870 7.467 2.137 1.00 74.25 H new ATOM 0 HG23 VAL A 26 -1.301 6.658 2.362 1.00 74.25 H new ATOM 410 N LEU A 27 -0.113 8.753 3.661 1.00 14.13 N ATOM 411 CA LEU A 27 1.317 9.008 3.442 1.00 61.14 C ATOM 412 C LEU A 27 1.622 10.507 3.571 1.00 53.43 C ATOM 413 O LEU A 27 0.850 11.351 3.108 1.00 40.42 O ATOM 414 CB LEU A 27 1.753 8.495 2.061 1.00 21.42 C ATOM 415 CG LEU A 27 3.249 8.665 1.728 1.00 43.22 C ATOM 416 CD1 LEU A 27 4.122 7.906 2.726 1.00 52.22 C ATOM 417 CD2 LEU A 27 3.535 8.204 0.298 1.00 45.32 C ATOM 0 H LEU A 27 -0.731 9.297 3.059 1.00 14.13 H new ATOM 0 HA LEU A 27 1.880 8.470 4.205 1.00 61.14 H new ATOM 0 HB2 LEU A 27 1.502 7.437 1.991 1.00 21.42 H new ATOM 0 HB3 LEU A 27 1.169 9.013 1.300 1.00 21.42 H new ATOM 0 HG LEU A 27 3.496 9.724 1.805 1.00 43.22 H new ATOM 0 HD11 LEU A 27 5.172 8.043 2.468 1.00 52.22 H new ATOM 0 HD12 LEU A 27 3.942 8.288 3.731 1.00 52.22 H new ATOM 0 HD13 LEU A 27 3.875 6.845 2.692 1.00 52.22 H new ATOM 0 HD21 LEU A 27 4.595 8.331 0.080 1.00 45.32 H new ATOM 0 HD22 LEU A 27 3.267 7.153 0.194 1.00 45.32 H new ATOM 0 HD23 LEU A 27 2.947 8.799 -0.401 1.00 45.32 H new ATOM 429 N GLU A 28 2.738 10.829 4.210 1.00 64.43 N ATOM 430 CA GLU A 28 3.134 12.226 4.420 1.00 3.13 C ATOM 431 C GLU A 28 3.717 12.852 3.142 1.00 60.43 C ATOM 432 O GLU A 28 4.269 12.157 2.287 1.00 4.23 O ATOM 433 CB GLU A 28 4.146 12.316 5.569 1.00 70.52 C ATOM 434 CG GLU A 28 5.428 11.525 5.327 1.00 23.10 C ATOM 435 CD GLU A 28 6.317 11.455 6.558 1.00 31.34 C ATOM 436 OE1 GLU A 28 7.159 12.359 6.748 1.00 22.21 O ATOM 437 OE2 GLU A 28 6.174 10.496 7.348 1.00 72.42 O ATOM 0 H GLU A 28 3.390 10.145 4.595 1.00 64.43 H new ATOM 0 HA GLU A 28 2.240 12.792 4.682 1.00 3.13 H new ATOM 0 HB2 GLU A 28 4.402 13.363 5.733 1.00 70.52 H new ATOM 0 HB3 GLU A 28 3.675 11.955 6.484 1.00 70.52 H new ATOM 0 HG2 GLU A 28 5.172 10.514 5.011 1.00 23.10 H new ATOM 0 HG3 GLU A 28 5.983 11.983 4.509 1.00 23.10 H new ATOM 444 N SER A 29 3.587 14.171 3.019 1.00 55.21 N ATOM 445 CA SER A 29 4.083 14.897 1.841 1.00 32.40 C ATOM 446 C SER A 29 5.620 14.965 1.819 1.00 11.25 C ATOM 447 O SER A 29 6.254 15.205 2.848 1.00 70.11 O ATOM 448 CB SER A 29 3.493 16.316 1.797 1.00 40.35 C ATOM 449 OG SER A 29 3.671 16.990 3.035 1.00 2.32 O ATOM 0 H SER A 29 3.142 14.764 3.719 1.00 55.21 H new ATOM 0 HA SER A 29 3.760 14.346 0.958 1.00 32.40 H new ATOM 0 HB2 SER A 29 3.970 16.885 0.999 1.00 40.35 H new ATOM 0 HB3 SER A 29 2.431 16.263 1.559 1.00 40.35 H new ATOM 0 HG SER A 29 3.287 17.890 2.976 1.00 2.32 H new ATOM 455 N PRO A 30 6.242 14.769 0.636 1.00 71.30 N ATOM 456 CA PRO A 30 7.712 14.734 0.502 1.00 50.45 C ATOM 457 C PRO A 30 8.397 16.057 0.896 1.00 25.43 C ATOM 458 O PRO A 30 7.887 17.147 0.620 1.00 41.24 O ATOM 459 CB PRO A 30 7.930 14.434 -0.992 1.00 3.54 C ATOM 460 CG PRO A 30 6.664 14.853 -1.657 1.00 15.31 C ATOM 461 CD PRO A 30 5.572 14.567 -0.664 1.00 3.20 C ATOM 0 HA PRO A 30 8.152 13.996 1.172 1.00 50.45 H new ATOM 0 HB2 PRO A 30 8.784 14.986 -1.385 1.00 3.54 H new ATOM 0 HB3 PRO A 30 8.131 13.376 -1.157 1.00 3.54 H new ATOM 0 HG2 PRO A 30 6.690 15.911 -1.918 1.00 15.31 H new ATOM 0 HG3 PRO A 30 6.506 14.300 -2.583 1.00 15.31 H new ATOM 0 HD2 PRO A 30 4.725 15.241 -0.790 1.00 3.20 H new ATOM 0 HD3 PRO A 30 5.189 13.552 -0.767 1.00 3.20 H new ATOM 469 N LYS A 31 9.559 15.946 1.538 1.00 70.30 N ATOM 470 CA LYS A 31 10.349 17.111 1.957 1.00 4.41 C ATOM 471 C LYS A 31 10.806 17.943 0.747 1.00 64.31 C ATOM 472 O LYS A 31 10.677 19.168 0.729 1.00 10.14 O ATOM 473 CB LYS A 31 11.581 16.642 2.748 1.00 31.23 C ATOM 474 CG LYS A 31 11.247 15.827 3.999 1.00 74.12 C ATOM 475 CD LYS A 31 10.646 16.689 5.109 1.00 54.11 C ATOM 476 CE LYS A 31 11.675 17.644 5.713 1.00 51.10 C ATOM 477 NZ LYS A 31 11.098 18.464 6.815 1.00 43.24 N ATOM 0 H LYS A 31 9.981 15.051 1.783 1.00 70.30 H new ATOM 0 HA LYS A 31 9.717 17.739 2.585 1.00 4.41 H new ATOM 0 HB2 LYS A 31 12.212 16.041 2.094 1.00 31.23 H new ATOM 0 HB3 LYS A 31 12.165 17.514 3.041 1.00 31.23 H new ATOM 0 HG2 LYS A 31 10.546 15.035 3.737 1.00 74.12 H new ATOM 0 HG3 LYS A 31 12.152 15.343 4.367 1.00 74.12 H new ATOM 0 HD2 LYS A 31 9.810 17.263 4.710 1.00 54.11 H new ATOM 0 HD3 LYS A 31 10.246 16.045 5.892 1.00 54.11 H new ATOM 0 HE2 LYS A 31 12.522 17.072 6.092 1.00 51.10 H new ATOM 0 HE3 LYS A 31 12.059 18.303 4.934 1.00 51.10 H new ATOM 0 HZ1 LYS A 31 11.830 19.097 7.196 1.00 43.24 H new ATOM 0 HZ2 LYS A 31 10.306 19.030 6.449 1.00 43.24 H new ATOM 0 HZ3 LYS A 31 10.755 17.837 7.571 1.00 43.24 H new ATOM 491 N LYS A 32 11.335 17.260 -0.265 1.00 12.24 N ATOM 492 CA LYS A 32 11.881 17.918 -1.458 1.00 33.42 C ATOM 493 C LYS A 32 11.617 17.082 -2.722 1.00 62.33 C ATOM 494 O LYS A 32 10.913 16.072 -2.671 1.00 2.25 O ATOM 495 CB LYS A 32 13.393 18.135 -1.279 1.00 14.44 C ATOM 496 CG LYS A 32 14.168 16.847 -1.000 1.00 12.20 C ATOM 497 CD LYS A 32 15.652 17.113 -0.762 1.00 13.11 C ATOM 498 CE LYS A 32 16.412 15.839 -0.397 1.00 22.45 C ATOM 499 NZ LYS A 32 15.849 15.177 0.812 1.00 24.05 N ATOM 0 H LYS A 32 11.399 16.242 -0.286 1.00 12.24 H new ATOM 0 HA LYS A 32 11.384 18.880 -1.580 1.00 33.42 H new ATOM 0 HB2 LYS A 32 13.793 18.602 -2.179 1.00 14.44 H new ATOM 0 HB3 LYS A 32 13.557 18.833 -0.458 1.00 14.44 H new ATOM 0 HG2 LYS A 32 13.744 16.351 -0.127 1.00 12.20 H new ATOM 0 HG3 LYS A 32 14.052 16.165 -1.842 1.00 12.20 H new ATOM 0 HD2 LYS A 32 16.090 17.552 -1.659 1.00 13.11 H new ATOM 0 HD3 LYS A 32 15.765 17.844 0.038 1.00 13.11 H new ATOM 0 HE2 LYS A 32 16.380 15.145 -1.237 1.00 22.45 H new ATOM 0 HE3 LYS A 32 17.460 16.080 -0.222 1.00 22.45 H new ATOM 0 HZ1 LYS A 32 16.521 14.465 1.163 1.00 24.05 H new ATOM 0 HZ2 LYS A 32 15.682 15.889 1.551 1.00 24.05 H new ATOM 0 HZ3 LYS A 32 14.950 14.714 0.568 1.00 24.05 H new ATOM 513 N THR A 33 12.186 17.510 -3.852 1.00 3.04 N ATOM 514 CA THR A 33 12.060 16.771 -5.119 1.00 51.04 C ATOM 515 C THR A 33 12.537 15.319 -4.971 1.00 61.22 C ATOM 516 O THR A 33 13.720 15.063 -4.736 1.00 42.12 O ATOM 517 CB THR A 33 12.872 17.446 -6.259 1.00 75.54 C ATOM 518 OG1 THR A 33 12.464 18.813 -6.423 1.00 13.33 O ATOM 519 CG2 THR A 33 12.686 16.702 -7.580 1.00 23.01 C ATOM 0 H THR A 33 12.739 18.364 -3.919 1.00 3.04 H new ATOM 0 HA THR A 33 11.001 16.782 -5.376 1.00 51.04 H new ATOM 0 HB THR A 33 13.925 17.411 -5.981 1.00 75.54 H new ATOM 0 HG1 THR A 33 12.985 19.226 -7.143 1.00 13.33 H new ATOM 0 HG21 THR A 33 13.265 17.196 -8.360 1.00 23.01 H new ATOM 0 HG22 THR A 33 13.029 15.673 -7.470 1.00 23.01 H new ATOM 0 HG23 THR A 33 11.631 16.705 -7.854 1.00 23.01 H new ATOM 527 N ILE A 34 11.611 14.372 -5.091 1.00 72.35 N ATOM 528 CA ILE A 34 11.947 12.950 -5.002 1.00 33.53 C ATOM 529 C ILE A 34 12.674 12.476 -6.271 1.00 23.25 C ATOM 530 O ILE A 34 12.108 12.490 -7.364 1.00 55.01 O ATOM 531 CB ILE A 34 10.685 12.072 -4.792 1.00 24.34 C ATOM 532 CG1 ILE A 34 9.874 12.563 -3.581 1.00 70.41 C ATOM 533 CG2 ILE A 34 11.082 10.607 -4.611 1.00 32.13 C ATOM 534 CD1 ILE A 34 8.605 11.770 -3.341 1.00 30.21 C ATOM 0 H ILE A 34 10.621 14.561 -5.250 1.00 72.35 H new ATOM 0 HA ILE A 34 12.603 12.838 -4.138 1.00 33.53 H new ATOM 0 HB ILE A 34 10.057 12.156 -5.679 1.00 24.34 H new ATOM 0 HG12 ILE A 34 10.499 12.511 -2.690 1.00 70.41 H new ATOM 0 HG13 ILE A 34 9.615 13.612 -3.728 1.00 70.41 H new ATOM 0 HG21 ILE A 34 10.187 10.003 -4.465 1.00 32.13 H new ATOM 0 HG22 ILE A 34 11.612 10.261 -5.499 1.00 32.13 H new ATOM 0 HG23 ILE A 34 11.731 10.511 -3.741 1.00 32.13 H new ATOM 0 HD11 ILE A 34 8.084 12.171 -2.472 1.00 30.21 H new ATOM 0 HD12 ILE A 34 7.960 11.842 -4.216 1.00 30.21 H new ATOM 0 HD13 ILE A 34 8.857 10.725 -3.162 1.00 30.21 H new ATOM 546 N SER A 35 13.931 12.064 -6.117 1.00 3.44 N ATOM 547 CA SER A 35 14.726 11.563 -7.246 1.00 71.14 C ATOM 548 C SER A 35 14.087 10.316 -7.875 1.00 30.22 C ATOM 549 O SER A 35 14.030 10.180 -9.101 1.00 60.10 O ATOM 550 CB SER A 35 16.151 11.237 -6.787 1.00 44.21 C ATOM 551 OG SER A 35 16.148 10.275 -5.741 1.00 62.23 O ATOM 0 H SER A 35 14.424 12.066 -5.224 1.00 3.44 H new ATOM 0 HA SER A 35 14.757 12.348 -8.002 1.00 71.14 H new ATOM 0 HB2 SER A 35 16.730 10.859 -7.630 1.00 44.21 H new ATOM 0 HB3 SER A 35 16.643 12.148 -6.445 1.00 44.21 H new ATOM 0 HG SER A 35 17.070 10.085 -5.469 1.00 62.23 H new ATOM 557 N ASP A 36 13.603 9.409 -7.029 1.00 23.11 N ATOM 558 CA ASP A 36 12.953 8.180 -7.495 1.00 13.35 C ATOM 559 C ASP A 36 11.696 7.865 -6.655 1.00 44.50 C ATOM 560 O ASP A 36 11.798 7.364 -5.534 1.00 20.41 O ATOM 561 CB ASP A 36 13.944 7.014 -7.432 1.00 34.31 C ATOM 562 CG ASP A 36 13.425 5.780 -8.146 1.00 13.35 C ATOM 563 OD1 ASP A 36 13.534 5.726 -9.390 1.00 71.34 O ATOM 564 OD2 ASP A 36 12.905 4.868 -7.471 1.00 73.24 O ATOM 0 H ASP A 36 13.648 9.500 -6.014 1.00 23.11 H new ATOM 0 HA ASP A 36 12.637 8.325 -8.528 1.00 13.35 H new ATOM 0 HB2 ASP A 36 14.890 7.319 -7.879 1.00 34.31 H new ATOM 0 HB3 ASP A 36 14.148 6.769 -6.390 1.00 34.31 H new ATOM 569 N PRO A 37 10.491 8.169 -7.186 1.00 1.12 N ATOM 570 CA PRO A 37 9.224 7.963 -6.453 1.00 10.32 C ATOM 571 C PRO A 37 8.936 6.486 -6.132 1.00 32.44 C ATOM 572 O PRO A 37 8.323 6.176 -5.110 1.00 33.45 O ATOM 573 CB PRO A 37 8.160 8.533 -7.406 1.00 21.45 C ATOM 574 CG PRO A 37 8.797 8.497 -8.756 1.00 1.54 C ATOM 575 CD PRO A 37 10.265 8.741 -8.527 1.00 51.53 C ATOM 0 HA PRO A 37 9.248 8.447 -5.477 1.00 10.32 H new ATOM 0 HB2 PRO A 37 7.248 7.936 -7.383 1.00 21.45 H new ATOM 0 HB3 PRO A 37 7.883 9.549 -7.127 1.00 21.45 H new ATOM 0 HG2 PRO A 37 8.632 7.534 -9.240 1.00 1.54 H new ATOM 0 HG3 PRO A 37 8.372 9.259 -9.409 1.00 1.54 H new ATOM 0 HD2 PRO A 37 10.878 8.251 -9.283 1.00 51.53 H new ATOM 0 HD3 PRO A 37 10.507 9.803 -8.559 1.00 51.53 H new ATOM 583 N GLU A 38 9.384 5.579 -7.004 1.00 4.12 N ATOM 584 CA GLU A 38 9.178 4.139 -6.799 1.00 73.10 C ATOM 585 C GLU A 38 9.849 3.658 -5.503 1.00 13.32 C ATOM 586 O GLU A 38 9.235 2.951 -4.702 1.00 3.23 O ATOM 587 CB GLU A 38 9.706 3.350 -8.008 1.00 21.20 C ATOM 588 CG GLU A 38 8.927 3.614 -9.296 1.00 70.34 C ATOM 589 CD GLU A 38 9.465 2.834 -10.487 1.00 72.31 C ATOM 590 OE1 GLU A 38 9.438 1.583 -10.453 1.00 63.02 O ATOM 591 OE2 GLU A 38 9.933 3.468 -11.456 1.00 11.42 O ATOM 0 H GLU A 38 9.891 5.813 -7.858 1.00 4.12 H new ATOM 0 HA GLU A 38 8.107 3.960 -6.703 1.00 73.10 H new ATOM 0 HB2 GLU A 38 10.754 3.604 -8.168 1.00 21.20 H new ATOM 0 HB3 GLU A 38 9.667 2.285 -7.781 1.00 21.20 H new ATOM 0 HG2 GLU A 38 7.880 3.353 -9.141 1.00 70.34 H new ATOM 0 HG3 GLU A 38 8.960 4.680 -9.522 1.00 70.34 H new ATOM 598 N GLY A 39 11.102 4.057 -5.296 1.00 42.10 N ATOM 599 CA GLY A 39 11.803 3.724 -4.058 1.00 53.43 C ATOM 600 C GLY A 39 11.153 4.346 -2.820 1.00 10.44 C ATOM 601 O GLY A 39 11.031 3.698 -1.779 1.00 13.45 O ATOM 0 H GLY A 39 11.648 4.605 -5.961 1.00 42.10 H new ATOM 0 HA2 GLY A 39 11.831 2.641 -3.942 1.00 53.43 H new ATOM 0 HA3 GLY A 39 12.836 4.063 -4.129 1.00 53.43 H new ATOM 605 N PHE A 40 10.728 5.605 -2.943 1.00 31.43 N ATOM 606 CA PHE A 40 10.041 6.313 -1.852 1.00 31.21 C ATOM 607 C PHE A 40 8.783 5.551 -1.396 1.00 61.35 C ATOM 608 O PHE A 40 8.537 5.387 -0.197 1.00 4.24 O ATOM 609 CB PHE A 40 9.663 7.731 -2.308 1.00 3.41 C ATOM 610 CG PHE A 40 8.985 8.568 -1.245 1.00 35.51 C ATOM 611 CD1 PHE A 40 9.727 9.165 -0.233 1.00 4.40 C ATOM 612 CD2 PHE A 40 7.609 8.762 -1.260 1.00 62.34 C ATOM 613 CE1 PHE A 40 9.111 9.936 0.738 1.00 32.14 C ATOM 614 CE2 PHE A 40 6.990 9.532 -0.291 1.00 34.25 C ATOM 615 CZ PHE A 40 7.742 10.119 0.709 1.00 63.12 C ATOM 0 H PHE A 40 10.847 6.161 -3.790 1.00 31.43 H new ATOM 0 HA PHE A 40 10.722 6.374 -1.003 1.00 31.21 H new ATOM 0 HB2 PHE A 40 10.565 8.246 -2.639 1.00 3.41 H new ATOM 0 HB3 PHE A 40 9.003 7.658 -3.172 1.00 3.41 H new ATOM 0 HD1 PHE A 40 10.798 9.026 -0.204 1.00 4.40 H new ATOM 0 HD2 PHE A 40 7.015 8.306 -2.038 1.00 62.34 H new ATOM 0 HE1 PHE A 40 9.701 10.394 1.518 1.00 32.14 H new ATOM 0 HE2 PHE A 40 5.920 9.674 -0.316 1.00 34.25 H new ATOM 0 HZ PHE A 40 7.260 10.720 1.466 1.00 63.12 H new ATOM 625 N LEU A 41 7.990 5.093 -2.364 1.00 4.13 N ATOM 626 CA LEU A 41 6.792 4.300 -2.072 1.00 71.02 C ATOM 627 C LEU A 41 7.156 2.931 -1.481 1.00 23.53 C ATOM 628 O LEU A 41 6.609 2.526 -0.456 1.00 0.11 O ATOM 629 CB LEU A 41 5.954 4.119 -3.346 1.00 73.13 C ATOM 630 CG LEU A 41 5.321 5.406 -3.902 1.00 5.32 C ATOM 631 CD1 LEU A 41 4.612 5.134 -5.226 1.00 44.25 C ATOM 632 CD2 LEU A 41 4.352 6.010 -2.885 1.00 53.11 C ATOM 0 H LEU A 41 8.154 5.256 -3.357 1.00 4.13 H new ATOM 0 HA LEU A 41 6.205 4.841 -1.329 1.00 71.02 H new ATOM 0 HB2 LEU A 41 6.586 3.681 -4.118 1.00 73.13 H new ATOM 0 HB3 LEU A 41 5.159 3.402 -3.140 1.00 73.13 H new ATOM 0 HG LEU A 41 6.118 6.126 -4.087 1.00 5.32 H new ATOM 0 HD11 LEU A 41 4.172 6.059 -5.600 1.00 44.25 H new ATOM 0 HD12 LEU A 41 5.331 4.754 -5.952 1.00 44.25 H new ATOM 0 HD13 LEU A 41 3.826 4.394 -5.073 1.00 44.25 H new ATOM 0 HD21 LEU A 41 3.914 6.920 -3.296 1.00 53.11 H new ATOM 0 HD22 LEU A 41 3.561 5.293 -2.666 1.00 53.11 H new ATOM 0 HD23 LEU A 41 4.890 6.248 -1.967 1.00 53.11 H new ATOM 644 N GLN A 42 8.091 2.232 -2.123 1.00 11.04 N ATOM 645 CA GLN A 42 8.517 0.897 -1.680 1.00 74.12 C ATOM 646 C GLN A 42 8.938 0.905 -0.200 1.00 61.44 C ATOM 647 O GLN A 42 8.477 0.078 0.588 1.00 44.14 O ATOM 648 CB GLN A 42 9.669 0.400 -2.576 1.00 43.01 C ATOM 649 CG GLN A 42 10.113 -1.045 -2.321 1.00 63.10 C ATOM 650 CD GLN A 42 11.048 -1.199 -1.129 1.00 54.03 C ATOM 651 OE1 GLN A 42 11.816 -0.302 -0.800 1.00 63.41 O ATOM 652 NE2 GLN A 42 10.988 -2.338 -0.472 1.00 14.32 N ATOM 0 H GLN A 42 8.573 2.567 -2.957 1.00 11.04 H new ATOM 0 HA GLN A 42 7.672 0.214 -1.772 1.00 74.12 H new ATOM 0 HB2 GLN A 42 9.364 0.491 -3.618 1.00 43.01 H new ATOM 0 HB3 GLN A 42 10.527 1.058 -2.436 1.00 43.01 H new ATOM 0 HG2 GLN A 42 9.230 -1.664 -2.161 1.00 63.10 H new ATOM 0 HG3 GLN A 42 10.611 -1.425 -3.213 1.00 63.10 H new ATOM 0 HE21 GLN A 42 10.338 -3.065 -0.771 1.00 14.32 H new ATOM 0 HE22 GLN A 42 11.591 -2.493 0.336 1.00 14.32 H new ATOM 661 N ALA A 43 9.804 1.845 0.166 1.00 55.41 N ATOM 662 CA ALA A 43 10.281 1.965 1.549 1.00 12.43 C ATOM 663 C ALA A 43 9.130 2.212 2.539 1.00 51.12 C ATOM 664 O ALA A 43 9.045 1.567 3.586 1.00 45.30 O ATOM 665 CB ALA A 43 11.311 3.084 1.651 1.00 14.02 C ATOM 0 H ALA A 43 10.193 2.538 -0.473 1.00 55.41 H new ATOM 0 HA ALA A 43 10.745 1.016 1.819 1.00 12.43 H new ATOM 0 HB1 ALA A 43 11.659 3.165 2.681 1.00 14.02 H new ATOM 0 HB2 ALA A 43 12.156 2.862 0.999 1.00 14.02 H new ATOM 0 HB3 ALA A 43 10.856 4.026 1.346 1.00 14.02 H new ATOM 671 N SER A 44 8.245 3.145 2.190 1.00 62.51 N ATOM 672 CA SER A 44 7.126 3.535 3.065 1.00 41.51 C ATOM 673 C SER A 44 6.058 2.433 3.175 1.00 64.41 C ATOM 674 O SER A 44 5.427 2.265 4.220 1.00 72.53 O ATOM 675 CB SER A 44 6.475 4.829 2.549 1.00 11.22 C ATOM 676 OG SER A 44 7.414 5.895 2.487 1.00 13.40 O ATOM 0 H SER A 44 8.277 3.650 1.304 1.00 62.51 H new ATOM 0 HA SER A 44 7.541 3.697 4.060 1.00 41.51 H new ATOM 0 HB2 SER A 44 6.053 4.656 1.559 1.00 11.22 H new ATOM 0 HB3 SER A 44 5.649 5.108 3.203 1.00 11.22 H new ATOM 0 HG SER A 44 7.887 5.865 1.629 1.00 13.40 H new ATOM 682 N LEU A 45 5.855 1.689 2.088 1.00 33.10 N ATOM 683 CA LEU A 45 4.840 0.623 2.047 1.00 73.11 C ATOM 684 C LEU A 45 5.414 -0.731 2.498 1.00 0.24 C ATOM 685 O LEU A 45 4.664 -1.670 2.762 1.00 5.34 O ATOM 686 CB LEU A 45 4.271 0.495 0.626 1.00 23.35 C ATOM 687 CG LEU A 45 3.627 1.770 0.056 1.00 13.34 C ATOM 688 CD1 LEU A 45 3.196 1.557 -1.392 1.00 40.41 C ATOM 689 CD2 LEU A 45 2.442 2.209 0.912 1.00 13.35 C ATOM 0 H LEU A 45 6.378 1.801 1.220 1.00 33.10 H new ATOM 0 HA LEU A 45 4.045 0.898 2.741 1.00 73.11 H new ATOM 0 HB2 LEU A 45 5.074 0.184 -0.042 1.00 23.35 H new ATOM 0 HB3 LEU A 45 3.526 -0.301 0.621 1.00 23.35 H new ATOM 0 HG LEU A 45 4.373 2.564 0.077 1.00 13.34 H new ATOM 0 HD11 LEU A 45 2.743 2.471 -1.775 1.00 40.41 H new ATOM 0 HD12 LEU A 45 4.066 1.302 -1.997 1.00 40.41 H new ATOM 0 HD13 LEU A 45 2.470 0.745 -1.440 1.00 40.41 H new ATOM 0 HD21 LEU A 45 2.003 3.113 0.489 1.00 13.35 H new ATOM 0 HD22 LEU A 45 1.694 1.417 0.931 1.00 13.35 H new ATOM 0 HD23 LEU A 45 2.782 2.412 1.928 1.00 13.35 H new ATOM 701 N LYS A 46 6.742 -0.808 2.589 1.00 11.20 N ATOM 702 CA LYS A 46 7.457 -2.042 2.956 1.00 30.40 C ATOM 703 C LYS A 46 6.851 -2.740 4.188 1.00 22.54 C ATOM 704 O LYS A 46 6.683 -3.960 4.207 1.00 12.14 O ATOM 705 CB LYS A 46 8.928 -1.707 3.243 1.00 4.33 C ATOM 706 CG LYS A 46 9.803 -2.925 3.516 1.00 54.34 C ATOM 707 CD LYS A 46 11.227 -2.542 3.930 1.00 22.30 C ATOM 708 CE LYS A 46 11.300 -1.980 5.354 1.00 42.13 C ATOM 709 NZ LYS A 46 10.654 -0.643 5.489 1.00 3.15 N ATOM 0 H LYS A 46 7.359 -0.016 2.411 1.00 11.20 H new ATOM 0 HA LYS A 46 7.367 -2.729 2.115 1.00 30.40 H new ATOM 0 HB2 LYS A 46 9.338 -1.162 2.393 1.00 4.33 H new ATOM 0 HB3 LYS A 46 8.976 -1.039 4.103 1.00 4.33 H new ATOM 0 HG2 LYS A 46 9.348 -3.526 4.303 1.00 54.34 H new ATOM 0 HG3 LYS A 46 9.843 -3.548 2.622 1.00 54.34 H new ATOM 0 HD2 LYS A 46 11.870 -3.419 3.857 1.00 22.30 H new ATOM 0 HD3 LYS A 46 11.617 -1.802 3.232 1.00 22.30 H new ATOM 0 HE2 LYS A 46 10.821 -2.679 6.039 1.00 42.13 H new ATOM 0 HE3 LYS A 46 12.345 -1.904 5.655 1.00 42.13 H new ATOM 0 HZ1 LYS A 46 11.211 -0.052 6.139 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 10.608 -0.184 4.557 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 9.692 -0.759 5.866 1.00 3.15 H new ATOM 723 N ASP A 47 6.541 -1.955 5.216 1.00 61.53 N ATOM 724 CA ASP A 47 6.047 -2.494 6.488 1.00 55.41 C ATOM 725 C ASP A 47 4.530 -2.766 6.469 1.00 64.44 C ATOM 726 O ASP A 47 3.964 -3.226 7.460 1.00 10.32 O ATOM 727 CB ASP A 47 6.400 -1.522 7.614 1.00 51.15 C ATOM 728 CG ASP A 47 7.888 -1.224 7.653 1.00 45.31 C ATOM 729 OD1 ASP A 47 8.364 -0.439 6.801 1.00 24.44 O ATOM 730 OD2 ASP A 47 8.593 -1.785 8.519 1.00 15.25 O ATOM 0 H ASP A 47 6.622 -0.938 5.196 1.00 61.53 H new ATOM 0 HA ASP A 47 6.532 -3.456 6.654 1.00 55.41 H new ATOM 0 HB2 ASP A 47 5.846 -0.593 7.480 1.00 51.15 H new ATOM 0 HB3 ASP A 47 6.088 -1.943 8.570 1.00 51.15 H new ATOM 735 N GLY A 48 3.875 -2.462 5.351 1.00 15.40 N ATOM 736 CA GLY A 48 2.442 -2.722 5.209 1.00 71.33 C ATOM 737 C GLY A 48 1.538 -1.775 6.009 1.00 40.24 C ATOM 738 O GLY A 48 0.338 -1.687 5.740 1.00 24.33 O ATOM 0 H GLY A 48 4.310 -2.037 4.532 1.00 15.40 H new ATOM 0 HA2 GLY A 48 2.176 -2.652 4.154 1.00 71.33 H new ATOM 0 HA3 GLY A 48 2.239 -3.746 5.521 1.00 71.33 H new ATOM 742 N VAL A 49 2.108 -1.058 6.983 1.00 44.01 N ATOM 743 CA VAL A 49 1.331 -0.158 7.851 1.00 12.13 C ATOM 744 C VAL A 49 0.512 0.860 7.036 1.00 33.12 C ATOM 745 O VAL A 49 -0.692 1.015 7.251 1.00 22.03 O ATOM 746 CB VAL A 49 2.250 0.604 8.843 1.00 52.03 C ATOM 747 CG1 VAL A 49 1.425 1.456 9.808 1.00 52.32 C ATOM 748 CG2 VAL A 49 3.143 -0.371 9.609 1.00 42.11 C ATOM 0 H VAL A 49 3.106 -1.081 7.193 1.00 44.01 H new ATOM 0 HA VAL A 49 0.643 -0.790 8.412 1.00 12.13 H new ATOM 0 HB VAL A 49 2.890 1.272 8.266 1.00 52.03 H new ATOM 0 HG11 VAL A 49 2.092 1.980 10.493 1.00 52.32 H new ATOM 0 HG12 VAL A 49 0.841 2.183 9.243 1.00 52.32 H new ATOM 0 HG13 VAL A 49 0.753 0.814 10.377 1.00 52.32 H new ATOM 0 HG21 VAL A 49 3.779 0.183 10.299 1.00 42.11 H new ATOM 0 HG22 VAL A 49 2.522 -1.069 10.170 1.00 42.11 H new ATOM 0 HG23 VAL A 49 3.766 -0.924 8.905 1.00 42.11 H new ATOM 758 N VAL A 50 1.167 1.547 6.099 1.00 74.34 N ATOM 759 CA VAL A 50 0.482 2.524 5.241 1.00 13.43 C ATOM 760 C VAL A 50 -0.610 1.850 4.387 1.00 11.20 C ATOM 761 O VAL A 50 -1.662 2.438 4.133 1.00 3.21 O ATOM 762 CB VAL A 50 1.480 3.269 4.315 1.00 64.14 C ATOM 763 CG1 VAL A 50 0.762 4.296 3.436 1.00 22.00 C ATOM 764 CG2 VAL A 50 2.583 3.939 5.135 1.00 2.05 C ATOM 0 H VAL A 50 2.165 1.448 5.913 1.00 74.34 H new ATOM 0 HA VAL A 50 0.013 3.251 5.904 1.00 13.43 H new ATOM 0 HB VAL A 50 1.939 2.530 3.659 1.00 64.14 H new ATOM 0 HG11 VAL A 50 1.488 4.801 2.799 1.00 22.00 H new ATOM 0 HG12 VAL A 50 0.024 3.790 2.814 1.00 22.00 H new ATOM 0 HG13 VAL A 50 0.262 5.030 4.068 1.00 22.00 H new ATOM 0 HG21 VAL A 50 3.271 4.455 4.466 1.00 2.05 H new ATOM 0 HG22 VAL A 50 2.139 4.658 5.824 1.00 2.05 H new ATOM 0 HG23 VAL A 50 3.126 3.182 5.701 1.00 2.05 H new ATOM 774 N LEU A 51 -0.358 0.607 3.967 1.00 63.23 N ATOM 775 CA LEU A 51 -1.330 -0.163 3.176 1.00 52.22 C ATOM 776 C LEU A 51 -2.621 -0.420 3.969 1.00 54.42 C ATOM 777 O LEU A 51 -3.726 -0.197 3.472 1.00 51.44 O ATOM 778 CB LEU A 51 -0.721 -1.504 2.735 1.00 10.40 C ATOM 779 CG LEU A 51 0.478 -1.408 1.780 1.00 44.43 C ATOM 780 CD1 LEU A 51 1.028 -2.798 1.466 1.00 33.34 C ATOM 781 CD2 LEU A 51 0.090 -0.679 0.492 1.00 53.15 C ATOM 0 H LEU A 51 0.511 0.109 4.160 1.00 63.23 H new ATOM 0 HA LEU A 51 -1.579 0.429 2.296 1.00 52.22 H new ATOM 0 HB2 LEU A 51 -0.410 -2.051 3.625 1.00 10.40 H new ATOM 0 HB3 LEU A 51 -1.500 -2.095 2.253 1.00 10.40 H new ATOM 0 HG LEU A 51 1.261 -0.832 2.274 1.00 44.43 H new ATOM 0 HD11 LEU A 51 1.877 -2.709 0.788 1.00 33.34 H new ATOM 0 HD12 LEU A 51 1.350 -3.279 2.390 1.00 33.34 H new ATOM 0 HD13 LEU A 51 0.250 -3.400 0.996 1.00 33.34 H new ATOM 0 HD21 LEU A 51 0.955 -0.623 -0.169 1.00 53.15 H new ATOM 0 HD22 LEU A 51 -0.713 -1.223 -0.006 1.00 53.15 H new ATOM 0 HD23 LEU A 51 -0.249 0.329 0.732 1.00 53.15 H new ATOM 793 N CYS A 52 -2.472 -0.888 5.207 1.00 2.41 N ATOM 794 CA CYS A 52 -3.625 -1.163 6.073 1.00 41.33 C ATOM 795 C CYS A 52 -4.454 0.105 6.322 1.00 13.31 C ATOM 796 O CYS A 52 -5.682 0.080 6.234 1.00 51.31 O ATOM 797 CB CYS A 52 -3.164 -1.766 7.403 1.00 54.04 C ATOM 798 SG CYS A 52 -2.306 -3.351 7.237 1.00 54.22 S ATOM 0 H CYS A 52 -1.568 -1.085 5.635 1.00 2.41 H new ATOM 0 HA CYS A 52 -4.261 -1.884 5.560 1.00 41.33 H new ATOM 0 HB2 CYS A 52 -2.502 -1.057 7.901 1.00 54.04 H new ATOM 0 HB3 CYS A 52 -4.032 -1.900 8.049 1.00 54.04 H new ATOM 0 HG CYS A 52 -1.155 -3.163 6.663 1.00 54.22 H new ATOM 804 N ARG A 53 -3.779 1.216 6.626 1.00 2.33 N ATOM 805 CA ARG A 53 -4.457 2.508 6.795 1.00 2.25 C ATOM 806 C ARG A 53 -5.133 2.950 5.486 1.00 0.14 C ATOM 807 O ARG A 53 -6.244 3.480 5.493 1.00 50.14 O ATOM 808 CB ARG A 53 -3.461 3.580 7.262 1.00 13.35 C ATOM 809 CG ARG A 53 -2.883 3.323 8.655 1.00 64.55 C ATOM 810 CD ARG A 53 -1.902 4.418 9.072 1.00 21.00 C ATOM 811 NE ARG A 53 -1.383 4.213 10.425 1.00 52.52 N ATOM 812 CZ ARG A 53 -0.419 4.921 10.957 1.00 30.11 C ATOM 813 NH1 ARG A 53 0.156 5.871 10.289 1.00 31.13 N ATOM 814 NH2 ARG A 53 -0.030 4.679 12.166 1.00 24.13 N ATOM 0 H ARG A 53 -2.768 1.250 6.760 1.00 2.33 H new ATOM 0 HA ARG A 53 -5.228 2.387 7.556 1.00 2.25 H new ATOM 0 HB2 ARG A 53 -2.642 3.639 6.545 1.00 13.35 H new ATOM 0 HB3 ARG A 53 -3.958 4.550 7.259 1.00 13.35 H new ATOM 0 HG2 ARG A 53 -3.694 3.266 9.381 1.00 64.55 H new ATOM 0 HG3 ARG A 53 -2.377 2.358 8.666 1.00 64.55 H new ATOM 0 HD2 ARG A 53 -1.071 4.446 8.367 1.00 21.00 H new ATOM 0 HD3 ARG A 53 -2.398 5.387 9.019 1.00 21.00 H new ATOM 0 HE ARG A 53 -1.799 3.472 10.989 1.00 52.52 H new ATOM 0 HH11 ARG A 53 -0.141 6.076 9.335 1.00 31.13 H new ATOM 0 HH12 ARG A 53 0.906 6.414 10.717 1.00 31.13 H new ATOM 0 HH21 ARG A 53 -0.474 3.936 12.706 1.00 24.13 H new ATOM 0 HH22 ARG A 53 0.721 5.231 12.580 1.00 24.13 H new ATOM 828 N LEU A 54 -4.450 2.719 4.364 1.00 72.41 N ATOM 829 CA LEU A 54 -4.989 3.019 3.033 1.00 52.44 C ATOM 830 C LEU A 54 -6.349 2.338 2.814 1.00 12.02 C ATOM 831 O LEU A 54 -7.328 2.981 2.422 1.00 24.32 O ATOM 832 CB LEU A 54 -3.987 2.565 1.961 1.00 61.31 C ATOM 833 CG LEU A 54 -4.424 2.763 0.500 1.00 3.11 C ATOM 834 CD1 LEU A 54 -4.695 4.234 0.208 1.00 22.22 C ATOM 835 CD2 LEU A 54 -3.369 2.206 -0.456 1.00 42.34 C ATOM 0 H LEU A 54 -3.511 2.320 4.350 1.00 72.41 H new ATOM 0 HA LEU A 54 -5.143 4.095 2.957 1.00 52.44 H new ATOM 0 HB2 LEU A 54 -3.052 3.103 2.115 1.00 61.31 H new ATOM 0 HB3 LEU A 54 -3.775 1.507 2.115 1.00 61.31 H new ATOM 0 HG LEU A 54 -5.352 2.213 0.345 1.00 3.11 H new ATOM 0 HD11 LEU A 54 -5.002 4.348 -0.832 1.00 22.22 H new ATOM 0 HD12 LEU A 54 -5.488 4.595 0.863 1.00 22.22 H new ATOM 0 HD13 LEU A 54 -3.788 4.813 0.384 1.00 22.22 H new ATOM 0 HD21 LEU A 54 -3.696 2.355 -1.485 1.00 42.34 H new ATOM 0 HD22 LEU A 54 -2.424 2.725 -0.297 1.00 42.34 H new ATOM 0 HD23 LEU A 54 -3.235 1.141 -0.269 1.00 42.34 H new ATOM 847 N LEU A 55 -6.404 1.038 3.088 1.00 71.02 N ATOM 848 CA LEU A 55 -7.636 0.267 2.918 1.00 1.53 C ATOM 849 C LEU A 55 -8.725 0.718 3.906 1.00 63.15 C ATOM 850 O LEU A 55 -9.905 0.708 3.578 1.00 12.23 O ATOM 851 CB LEU A 55 -7.355 -1.234 3.078 1.00 52.44 C ATOM 852 CG LEU A 55 -8.552 -2.162 2.799 1.00 41.44 C ATOM 853 CD1 LEU A 55 -9.105 -1.931 1.393 1.00 15.55 C ATOM 854 CD2 LEU A 55 -8.154 -3.622 2.983 1.00 51.30 C ATOM 0 H LEU A 55 -5.611 0.494 3.429 1.00 71.02 H new ATOM 0 HA LEU A 55 -8.006 0.451 1.910 1.00 1.53 H new ATOM 0 HB2 LEU A 55 -6.540 -1.508 2.407 1.00 52.44 H new ATOM 0 HB3 LEU A 55 -7.006 -1.415 4.094 1.00 52.44 H new ATOM 0 HG LEU A 55 -9.337 -1.925 3.517 1.00 41.44 H new ATOM 0 HD11 LEU A 55 -9.949 -2.598 1.220 1.00 15.55 H new ATOM 0 HD12 LEU A 55 -9.434 -0.896 1.297 1.00 15.55 H new ATOM 0 HD13 LEU A 55 -8.326 -2.134 0.658 1.00 15.55 H new ATOM 0 HD21 LEU A 55 -9.013 -4.262 2.781 1.00 51.30 H new ATOM 0 HD22 LEU A 55 -7.348 -3.869 2.292 1.00 51.30 H new ATOM 0 HD23 LEU A 55 -7.816 -3.781 4.007 1.00 51.30 H new ATOM 866 N GLU A 56 -8.324 1.129 5.109 1.00 54.51 N ATOM 867 CA GLU A 56 -9.283 1.604 6.121 1.00 51.50 C ATOM 868 C GLU A 56 -9.865 2.986 5.769 1.00 51.33 C ATOM 869 O GLU A 56 -10.932 3.364 6.263 1.00 13.42 O ATOM 870 CB GLU A 56 -8.626 1.645 7.508 1.00 22.23 C ATOM 871 CG GLU A 56 -8.334 0.268 8.090 1.00 21.11 C ATOM 872 CD GLU A 56 -9.593 -0.570 8.259 1.00 11.33 C ATOM 873 OE1 GLU A 56 -10.302 -0.387 9.271 1.00 2.10 O ATOM 874 OE2 GLU A 56 -9.887 -1.402 7.381 1.00 22.25 O ATOM 0 H GLU A 56 -7.350 1.145 5.411 1.00 54.51 H new ATOM 0 HA GLU A 56 -10.110 0.894 6.135 1.00 51.50 H new ATOM 0 HB2 GLU A 56 -7.694 2.207 7.442 1.00 22.23 H new ATOM 0 HB3 GLU A 56 -9.278 2.188 8.193 1.00 22.23 H new ATOM 0 HG2 GLU A 56 -7.636 -0.258 7.439 1.00 21.11 H new ATOM 0 HG3 GLU A 56 -7.844 0.382 9.057 1.00 21.11 H new ATOM 881 N ARG A 57 -9.156 3.746 4.935 1.00 71.34 N ATOM 882 CA ARG A 57 -9.663 5.038 4.456 1.00 21.23 C ATOM 883 C ARG A 57 -10.710 4.851 3.346 1.00 40.51 C ATOM 884 O ARG A 57 -11.682 5.604 3.262 1.00 72.31 O ATOM 885 CB ARG A 57 -8.511 5.916 3.945 1.00 14.03 C ATOM 886 CG ARG A 57 -7.540 6.367 5.034 1.00 43.02 C ATOM 887 CD ARG A 57 -8.232 7.204 6.109 1.00 3.33 C ATOM 888 NE ARG A 57 -8.940 8.351 5.539 1.00 34.12 N ATOM 889 CZ ARG A 57 -8.644 9.601 5.779 1.00 44.24 C ATOM 890 NH1 ARG A 57 -7.668 9.915 6.571 1.00 31.54 N ATOM 891 NH2 ARG A 57 -9.332 10.538 5.218 1.00 4.53 N ATOM 0 H ARG A 57 -8.235 3.495 4.577 1.00 71.34 H new ATOM 0 HA ARG A 57 -10.142 5.536 5.299 1.00 21.23 H new ATOM 0 HB2 ARG A 57 -7.957 5.364 3.185 1.00 14.03 H new ATOM 0 HB3 ARG A 57 -8.929 6.797 3.458 1.00 14.03 H new ATOM 0 HG2 ARG A 57 -7.081 5.492 5.495 1.00 43.02 H new ATOM 0 HG3 ARG A 57 -6.736 6.949 4.584 1.00 43.02 H new ATOM 0 HD2 ARG A 57 -8.937 6.579 6.657 1.00 3.33 H new ATOM 0 HD3 ARG A 57 -7.491 7.555 6.827 1.00 3.33 H new ATOM 0 HE ARG A 57 -9.720 8.161 4.910 1.00 34.12 H new ATOM 0 HH11 ARG A 57 -7.118 9.182 7.018 1.00 31.54 H new ATOM 0 HH12 ARG A 57 -7.450 10.896 6.748 1.00 31.54 H new ATOM 0 HH21 ARG A 57 -10.101 10.301 4.592 1.00 4.53 H new ATOM 0 HH22 ARG A 57 -9.106 11.516 5.401 1.00 4.53 H new ATOM 905 N LEU A 58 -10.501 3.849 2.498 1.00 44.23 N ATOM 906 CA LEU A 58 -11.429 3.549 1.400 1.00 73.21 C ATOM 907 C LEU A 58 -12.570 2.630 1.872 1.00 52.24 C ATOM 908 O LEU A 58 -13.750 2.927 1.674 1.00 50.54 O ATOM 909 CB LEU A 58 -10.659 2.902 0.239 1.00 70.13 C ATOM 910 CG LEU A 58 -9.506 3.754 -0.329 1.00 31.11 C ATOM 911 CD1 LEU A 58 -8.727 2.984 -1.391 1.00 23.43 C ATOM 912 CD2 LEU A 58 -10.037 5.069 -0.901 1.00 3.24 C ATOM 0 H LEU A 58 -9.695 3.226 2.546 1.00 44.23 H new ATOM 0 HA LEU A 58 -11.878 4.482 1.058 1.00 73.21 H new ATOM 0 HB2 LEU A 58 -10.254 1.948 0.577 1.00 70.13 H new ATOM 0 HB3 LEU A 58 -11.361 2.683 -0.566 1.00 70.13 H new ATOM 0 HG LEU A 58 -8.824 3.984 0.490 1.00 31.11 H new ATOM 0 HD11 LEU A 58 -7.920 3.608 -1.774 1.00 23.43 H new ATOM 0 HD12 LEU A 58 -8.308 2.079 -0.950 1.00 23.43 H new ATOM 0 HD13 LEU A 58 -9.396 2.713 -2.208 1.00 23.43 H new ATOM 0 HD21 LEU A 58 -9.207 5.655 -1.296 1.00 3.24 H new ATOM 0 HD22 LEU A 58 -10.746 4.858 -1.701 1.00 3.24 H new ATOM 0 HD23 LEU A 58 -10.537 5.633 -0.113 1.00 3.24 H new ATOM 924 N LEU A 59 -12.199 1.512 2.490 1.00 72.11 N ATOM 925 CA LEU A 59 -13.158 0.556 3.057 1.00 2.54 C ATOM 926 C LEU A 59 -12.944 0.403 4.577 1.00 2.42 C ATOM 927 O LEU A 59 -12.189 -0.463 5.021 1.00 74.51 O ATOM 928 CB LEU A 59 -13.009 -0.811 2.369 1.00 34.45 C ATOM 929 CG LEU A 59 -13.278 -0.826 0.852 1.00 1.23 C ATOM 930 CD1 LEU A 59 -12.970 -2.202 0.260 1.00 54.35 C ATOM 931 CD2 LEU A 59 -14.723 -0.425 0.555 1.00 2.44 C ATOM 0 H LEU A 59 -11.224 1.239 2.614 1.00 72.11 H new ATOM 0 HA LEU A 59 -14.164 0.938 2.885 1.00 2.54 H new ATOM 0 HB2 LEU A 59 -11.997 -1.177 2.544 1.00 34.45 H new ATOM 0 HB3 LEU A 59 -13.690 -1.515 2.848 1.00 34.45 H new ATOM 0 HG LEU A 59 -12.617 -0.097 0.384 1.00 1.23 H new ATOM 0 HD11 LEU A 59 -13.167 -2.189 -0.812 1.00 54.35 H new ATOM 0 HD12 LEU A 59 -11.922 -2.446 0.433 1.00 54.35 H new ATOM 0 HD13 LEU A 59 -13.601 -2.952 0.736 1.00 54.35 H new ATOM 0 HD21 LEU A 59 -14.891 -0.442 -0.522 1.00 2.44 H new ATOM 0 HD22 LEU A 59 -15.402 -1.126 1.040 1.00 2.44 H new ATOM 0 HD23 LEU A 59 -14.907 0.580 0.935 1.00 2.44 H new ATOM 943 N PRO A 60 -13.602 1.246 5.397 1.00 14.10 N ATOM 944 CA PRO A 60 -13.401 1.248 6.860 1.00 11.42 C ATOM 945 C PRO A 60 -13.944 -0.016 7.555 1.00 51.54 C ATOM 946 O PRO A 60 -15.073 -0.447 7.303 1.00 72.52 O ATOM 947 CB PRO A 60 -14.172 2.497 7.315 1.00 62.52 C ATOM 948 CG PRO A 60 -15.218 2.698 6.269 1.00 32.42 C ATOM 949 CD PRO A 60 -14.590 2.260 4.971 1.00 53.11 C ATOM 0 HA PRO A 60 -12.343 1.257 7.120 1.00 11.42 H new ATOM 0 HB2 PRO A 60 -14.618 2.350 8.299 1.00 62.52 H new ATOM 0 HB3 PRO A 60 -13.514 3.363 7.389 1.00 62.52 H new ATOM 0 HG2 PRO A 60 -16.110 2.111 6.490 1.00 32.42 H new ATOM 0 HG3 PRO A 60 -15.527 3.742 6.221 1.00 32.42 H new ATOM 0 HD2 PRO A 60 -15.329 1.840 4.288 1.00 53.11 H new ATOM 0 HD3 PRO A 60 -14.114 3.093 4.453 1.00 53.11 H new ATOM 957 N GLY A 61 -13.130 -0.605 8.433 1.00 31.12 N ATOM 958 CA GLY A 61 -13.546 -1.798 9.164 1.00 61.40 C ATOM 959 C GLY A 61 -13.291 -3.088 8.392 1.00 61.45 C ATOM 960 O GLY A 61 -14.098 -4.022 8.432 1.00 53.13 O ATOM 0 H GLY A 61 -12.189 -0.278 8.652 1.00 31.12 H new ATOM 0 HA2 GLY A 61 -13.014 -1.839 10.115 1.00 61.40 H new ATOM 0 HA3 GLY A 61 -14.608 -1.724 9.396 1.00 61.40 H new ATOM 964 N THR A 62 -12.168 -3.140 7.684 1.00 4.21 N ATOM 965 CA THR A 62 -11.792 -4.324 6.898 1.00 14.10 C ATOM 966 C THR A 62 -10.544 -5.005 7.476 1.00 14.32 C ATOM 967 O THR A 62 -10.516 -6.223 7.656 1.00 24.30 O ATOM 968 CB THR A 62 -11.543 -3.958 5.413 1.00 11.23 C ATOM 969 OG1 THR A 62 -12.692 -3.280 4.877 1.00 63.24 O ATOM 970 CG2 THR A 62 -11.256 -5.200 4.572 1.00 44.31 C ATOM 0 H THR A 62 -11.495 -2.375 7.634 1.00 4.21 H new ATOM 0 HA THR A 62 -12.629 -5.021 6.953 1.00 14.10 H new ATOM 0 HB THR A 62 -10.671 -3.305 5.374 1.00 11.23 H new ATOM 0 HG1 THR A 62 -12.541 -2.312 4.901 1.00 63.24 H new ATOM 0 HG21 THR A 62 -11.086 -4.907 3.536 1.00 44.31 H new ATOM 0 HG22 THR A 62 -10.369 -5.703 4.957 1.00 44.31 H new ATOM 0 HG23 THR A 62 -12.108 -5.878 4.622 1.00 44.31 H new ATOM 978 N ILE A 63 -9.516 -4.212 7.770 1.00 24.13 N ATOM 979 CA ILE A 63 -8.283 -4.723 8.381 1.00 55.34 C ATOM 980 C ILE A 63 -8.517 -5.143 9.844 1.00 34.52 C ATOM 981 O ILE A 63 -8.747 -4.303 10.718 1.00 15.14 O ATOM 982 CB ILE A 63 -7.151 -3.664 8.327 1.00 53.42 C ATOM 983 CG1 ILE A 63 -6.837 -3.292 6.867 1.00 42.21 C ATOM 984 CG2 ILE A 63 -5.893 -4.166 9.042 1.00 22.43 C ATOM 985 CD1 ILE A 63 -6.335 -4.456 6.032 1.00 13.03 C ATOM 0 H ILE A 63 -9.509 -3.207 7.595 1.00 24.13 H new ATOM 0 HA ILE A 63 -7.981 -5.598 7.805 1.00 55.34 H new ATOM 0 HB ILE A 63 -7.495 -2.770 8.847 1.00 53.42 H new ATOM 0 HG12 ILE A 63 -7.736 -2.886 6.404 1.00 42.21 H new ATOM 0 HG13 ILE A 63 -6.088 -2.500 6.857 1.00 42.21 H new ATOM 0 HG21 ILE A 63 -5.116 -3.404 8.989 1.00 22.43 H new ATOM 0 HG22 ILE A 63 -6.126 -4.374 10.086 1.00 22.43 H new ATOM 0 HG23 ILE A 63 -5.540 -5.078 8.561 1.00 22.43 H new ATOM 0 HD11 ILE A 63 -6.136 -4.116 5.016 1.00 13.03 H new ATOM 0 HD12 ILE A 63 -5.417 -4.849 6.470 1.00 13.03 H new ATOM 0 HD13 ILE A 63 -7.091 -5.241 6.010 1.00 13.03 H new ATOM 997 N GLU A 64 -8.453 -6.446 10.099 1.00 54.42 N ATOM 998 CA GLU A 64 -8.684 -6.993 11.443 1.00 25.44 C ATOM 999 C GLU A 64 -7.499 -6.722 12.387 1.00 23.31 C ATOM 1000 O GLU A 64 -7.680 -6.249 13.511 1.00 23.24 O ATOM 1001 CB GLU A 64 -8.922 -8.508 11.356 1.00 23.33 C ATOM 1002 CG GLU A 64 -9.277 -9.158 12.692 1.00 31.44 C ATOM 1003 CD GLU A 64 -9.268 -10.679 12.630 1.00 70.33 C ATOM 1004 OE1 GLU A 64 -10.064 -11.256 11.856 1.00 33.13 O ATOM 1005 OE2 GLU A 64 -8.455 -11.306 13.343 1.00 55.34 O ATOM 0 H GLU A 64 -8.242 -7.151 9.392 1.00 54.42 H new ATOM 0 HA GLU A 64 -9.563 -6.494 11.851 1.00 25.44 H new ATOM 0 HB2 GLU A 64 -9.726 -8.699 10.645 1.00 23.33 H new ATOM 0 HB3 GLU A 64 -8.026 -8.984 10.959 1.00 23.33 H new ATOM 0 HG2 GLU A 64 -8.569 -8.826 13.452 1.00 31.44 H new ATOM 0 HG3 GLU A 64 -10.264 -8.818 13.005 1.00 31.44 H new ATOM 1012 N LYS A 65 -6.288 -7.026 11.920 1.00 2.44 N ATOM 1013 CA LYS A 65 -5.091 -6.961 12.769 1.00 20.24 C ATOM 1014 C LYS A 65 -3.873 -6.431 11.991 1.00 22.45 C ATOM 1015 O LYS A 65 -3.409 -7.069 11.044 1.00 55.33 O ATOM 1016 CB LYS A 65 -4.811 -8.370 13.342 1.00 55.43 C ATOM 1017 CG LYS A 65 -3.621 -8.478 14.307 1.00 24.50 C ATOM 1018 CD LYS A 65 -2.255 -8.544 13.603 1.00 4.51 C ATOM 1019 CE LYS A 65 -2.088 -9.790 12.723 1.00 74.25 C ATOM 1020 NZ LYS A 65 -2.944 -9.760 11.501 1.00 53.23 N ATOM 0 H LYS A 65 -6.107 -7.320 10.960 1.00 2.44 H new ATOM 0 HA LYS A 65 -5.271 -6.261 13.585 1.00 20.24 H new ATOM 0 HB2 LYS A 65 -5.706 -8.715 13.860 1.00 55.43 H new ATOM 0 HB3 LYS A 65 -4.642 -9.053 12.509 1.00 55.43 H new ATOM 0 HG2 LYS A 65 -3.632 -7.620 14.980 1.00 24.50 H new ATOM 0 HG3 LYS A 65 -3.745 -9.368 14.924 1.00 24.50 H new ATOM 0 HD2 LYS A 65 -2.127 -7.653 12.988 1.00 4.51 H new ATOM 0 HD3 LYS A 65 -1.465 -8.529 14.354 1.00 4.51 H new ATOM 0 HE2 LYS A 65 -1.043 -9.881 12.426 1.00 74.25 H new ATOM 0 HE3 LYS A 65 -2.331 -10.677 13.308 1.00 74.25 H new ATOM 0 HZ1 LYS A 65 -2.383 -10.056 10.677 1.00 53.23 H new ATOM 0 HZ2 LYS A 65 -3.747 -10.409 11.624 1.00 53.23 H new ATOM 0 HZ3 LYS A 65 -3.299 -8.794 11.350 1.00 53.23 H new ATOM 1034 N VAL A 66 -3.354 -5.279 12.411 1.00 55.40 N ATOM 1035 CA VAL A 66 -2.141 -4.697 11.816 1.00 15.12 C ATOM 1036 C VAL A 66 -1.113 -4.335 12.903 1.00 24.44 C ATOM 1037 O VAL A 66 -1.477 -4.042 14.045 1.00 12.31 O ATOM 1038 CB VAL A 66 -2.469 -3.424 10.988 1.00 21.33 C ATOM 1039 CG1 VAL A 66 -3.026 -2.322 11.886 1.00 3.01 C ATOM 1040 CG2 VAL A 66 -1.242 -2.929 10.223 1.00 60.13 C ATOM 0 H VAL A 66 -3.754 -4.723 13.166 1.00 55.40 H new ATOM 0 HA VAL A 66 -1.719 -5.453 11.153 1.00 15.12 H new ATOM 0 HB VAL A 66 -3.233 -3.690 10.258 1.00 21.33 H new ATOM 0 HG11 VAL A 66 -3.248 -1.440 11.285 1.00 3.01 H new ATOM 0 HG12 VAL A 66 -3.939 -2.672 12.368 1.00 3.01 H new ATOM 0 HG13 VAL A 66 -2.289 -2.066 12.647 1.00 3.01 H new ATOM 0 HG21 VAL A 66 -1.504 -2.037 9.653 1.00 60.13 H new ATOM 0 HG22 VAL A 66 -0.446 -2.689 10.928 1.00 60.13 H new ATOM 0 HG23 VAL A 66 -0.900 -3.708 9.541 1.00 60.13 H new ATOM 1050 N TYR A 67 0.167 -4.368 12.547 1.00 64.11 N ATOM 1051 CA TYR A 67 1.243 -3.971 13.460 1.00 75.30 C ATOM 1052 C TYR A 67 1.729 -2.549 13.140 1.00 2.23 C ATOM 1053 O TYR A 67 2.441 -2.340 12.156 1.00 62.00 O ATOM 1054 CB TYR A 67 2.422 -4.946 13.360 1.00 64.30 C ATOM 1055 CG TYR A 67 2.057 -6.391 13.640 1.00 42.30 C ATOM 1056 CD1 TYR A 67 2.057 -6.891 14.937 1.00 42.23 C ATOM 1057 CD2 TYR A 67 1.718 -7.258 12.606 1.00 75.41 C ATOM 1058 CE1 TYR A 67 1.739 -8.211 15.195 1.00 3.42 C ATOM 1059 CE2 TYR A 67 1.403 -8.576 12.855 1.00 52.41 C ATOM 1060 CZ TYR A 67 1.411 -9.048 14.149 1.00 73.54 C ATOM 1061 OH TYR A 67 1.100 -10.366 14.393 1.00 22.24 O ATOM 0 H TYR A 67 0.490 -4.667 11.627 1.00 64.11 H new ATOM 0 HA TYR A 67 0.845 -3.992 14.475 1.00 75.30 H new ATOM 0 HB2 TYR A 67 2.852 -4.878 12.361 1.00 64.30 H new ATOM 0 HB3 TYR A 67 3.196 -4.636 14.061 1.00 64.30 H new ATOM 0 HD1 TYR A 67 2.310 -6.236 15.758 1.00 42.23 H new ATOM 0 HD2 TYR A 67 1.701 -6.891 11.590 1.00 75.41 H new ATOM 0 HE1 TYR A 67 1.747 -8.584 16.208 1.00 3.42 H new ATOM 0 HE2 TYR A 67 1.151 -9.237 12.039 1.00 52.41 H new ATOM 0 HH TYR A 67 0.892 -10.815 13.547 1.00 22.24 H new ATOM 1071 N PRO A 68 1.357 -1.550 13.968 1.00 23.12 N ATOM 1072 CA PRO A 68 1.775 -0.154 13.753 1.00 33.30 C ATOM 1073 C PRO A 68 3.287 0.045 13.963 1.00 41.14 C ATOM 1074 O PRO A 68 3.848 1.083 13.605 1.00 44.24 O ATOM 1075 CB PRO A 68 0.959 0.629 14.794 1.00 63.22 C ATOM 1076 CG PRO A 68 0.629 -0.368 15.858 1.00 11.21 C ATOM 1077 CD PRO A 68 0.509 -1.700 15.167 1.00 23.43 C ATOM 0 HA PRO A 68 1.596 0.176 12.730 1.00 33.30 H new ATOM 0 HB2 PRO A 68 1.533 1.463 15.199 1.00 63.22 H new ATOM 0 HB3 PRO A 68 0.055 1.049 14.352 1.00 63.22 H new ATOM 0 HG2 PRO A 68 1.407 -0.394 16.621 1.00 11.21 H new ATOM 0 HG3 PRO A 68 -0.302 -0.106 16.361 1.00 11.21 H new ATOM 0 HD2 PRO A 68 0.856 -2.514 15.804 1.00 23.43 H new ATOM 0 HD3 PRO A 68 -0.525 -1.922 14.901 1.00 23.43 H new ATOM 1085 N GLU A 69 3.932 -0.965 14.552 1.00 3.20 N ATOM 1086 CA GLU A 69 5.383 -0.969 14.770 1.00 32.32 C ATOM 1087 C GLU A 69 5.943 -2.395 14.599 1.00 21.02 C ATOM 1088 O GLU A 69 6.096 -3.131 15.568 1.00 24.11 O ATOM 1089 CB GLU A 69 5.734 -0.460 16.180 1.00 24.32 C ATOM 1090 CG GLU A 69 5.178 0.915 16.530 1.00 32.50 C ATOM 1091 CD GLU A 69 5.551 1.339 17.941 1.00 61.35 C ATOM 1092 OE1 GLU A 69 4.997 0.768 18.907 1.00 42.12 O ATOM 1093 OE2 GLU A 69 6.414 2.231 18.094 1.00 23.14 O ATOM 0 H GLU A 69 3.463 -1.805 14.892 1.00 3.20 H new ATOM 0 HA GLU A 69 5.830 -0.303 14.032 1.00 32.32 H new ATOM 0 HB2 GLU A 69 5.366 -1.180 16.911 1.00 24.32 H new ATOM 0 HB3 GLU A 69 6.819 -0.432 16.279 1.00 24.32 H new ATOM 0 HG2 GLU A 69 5.555 1.650 15.819 1.00 32.50 H new ATOM 0 HG3 GLU A 69 4.093 0.903 16.430 1.00 32.50 H new ATOM 1100 N PRO A 70 6.211 -2.825 13.359 1.00 2.12 N ATOM 1101 CA PRO A 70 6.790 -4.156 13.095 1.00 51.14 C ATOM 1102 C PRO A 70 8.224 -4.319 13.642 1.00 75.44 C ATOM 1103 O PRO A 70 9.153 -3.629 13.210 1.00 11.21 O ATOM 1104 CB PRO A 70 6.782 -4.259 11.559 1.00 14.21 C ATOM 1105 CG PRO A 70 5.843 -3.190 11.095 1.00 65.23 C ATOM 1106 CD PRO A 70 5.930 -2.089 12.118 1.00 60.14 C ATOM 0 HA PRO A 70 6.219 -4.939 13.594 1.00 51.14 H new ATOM 0 HB2 PRO A 70 7.781 -4.109 11.150 1.00 14.21 H new ATOM 0 HB3 PRO A 70 6.448 -5.244 11.233 1.00 14.21 H new ATOM 0 HG2 PRO A 70 6.123 -2.827 10.106 1.00 65.23 H new ATOM 0 HG3 PRO A 70 4.825 -3.571 11.018 1.00 65.23 H new ATOM 0 HD2 PRO A 70 6.721 -1.377 11.881 1.00 60.14 H new ATOM 0 HD3 PRO A 70 5.001 -1.523 12.184 1.00 60.14 H new ATOM 1114 N ARG A 71 8.397 -5.236 14.597 1.00 53.50 N ATOM 1115 CA ARG A 71 9.724 -5.555 15.148 1.00 5.41 C ATOM 1116 C ARG A 71 10.431 -6.631 14.309 1.00 54.22 C ATOM 1117 O ARG A 71 11.658 -6.628 14.178 1.00 31.43 O ATOM 1118 CB ARG A 71 9.617 -6.043 16.609 1.00 34.11 C ATOM 1119 CG ARG A 71 9.380 -4.938 17.641 1.00 44.41 C ATOM 1120 CD ARG A 71 7.978 -4.348 17.566 1.00 51.11 C ATOM 1121 NE ARG A 71 7.820 -3.212 18.475 1.00 64.04 N ATOM 1122 CZ ARG A 71 6.705 -2.564 18.665 1.00 13.02 C ATOM 1123 NH1 ARG A 71 5.607 -2.945 18.095 1.00 21.03 N ATOM 1124 NH2 ARG A 71 6.694 -1.532 19.443 1.00 74.40 N ATOM 0 H ARG A 71 7.634 -5.774 15.008 1.00 53.50 H new ATOM 0 HA ARG A 71 10.311 -4.637 15.118 1.00 5.41 H new ATOM 0 HB2 ARG A 71 8.803 -6.765 16.677 1.00 34.11 H new ATOM 0 HB3 ARG A 71 10.534 -6.572 16.868 1.00 34.11 H new ATOM 0 HG2 ARG A 71 9.547 -5.339 18.641 1.00 44.41 H new ATOM 0 HG3 ARG A 71 10.111 -4.144 17.490 1.00 44.41 H new ATOM 0 HD2 ARG A 71 7.772 -4.028 16.545 1.00 51.11 H new ATOM 0 HD3 ARG A 71 7.246 -5.117 17.813 1.00 51.11 H new ATOM 0 HE ARG A 71 8.641 -2.905 18.997 1.00 64.04 H new ATOM 0 HH11 ARG A 71 5.606 -3.764 17.487 1.00 21.03 H new ATOM 0 HH12 ARG A 71 4.743 -2.427 18.254 1.00 21.03 H new ATOM 0 HH21 ARG A 71 7.553 -1.231 19.903 1.00 74.40 H new ATOM 0 HH22 ARG A 71 5.826 -1.019 19.597 1.00 74.40 H new ATOM 1138 N SER A 72 9.652 -7.551 13.745 1.00 11.13 N ATOM 1139 CA SER A 72 10.197 -8.680 12.976 1.00 15.44 C ATOM 1140 C SER A 72 9.580 -8.757 11.571 1.00 15.32 C ATOM 1141 O SER A 72 8.471 -8.267 11.338 1.00 22.34 O ATOM 1142 CB SER A 72 9.948 -9.998 13.723 1.00 1.21 C ATOM 1143 OG SER A 72 10.529 -9.979 15.021 1.00 3.41 O ATOM 0 H SER A 72 8.634 -7.541 13.804 1.00 11.13 H new ATOM 0 HA SER A 72 11.269 -8.518 12.867 1.00 15.44 H new ATOM 0 HB2 SER A 72 8.875 -10.173 13.806 1.00 1.21 H new ATOM 0 HB3 SER A 72 10.363 -10.827 13.149 1.00 1.21 H new ATOM 0 HG SER A 72 10.352 -10.831 15.471 1.00 3.41 H new ATOM 1149 N GLU A 73 10.300 -9.402 10.648 1.00 4.13 N ATOM 1150 CA GLU A 73 9.873 -9.529 9.243 1.00 33.12 C ATOM 1151 C GLU A 73 8.427 -10.047 9.113 1.00 71.41 C ATOM 1152 O GLU A 73 7.623 -9.483 8.365 1.00 23.01 O ATOM 1153 CB GLU A 73 10.837 -10.463 8.490 1.00 4.13 C ATOM 1154 CG GLU A 73 10.479 -10.683 7.024 1.00 11.12 C ATOM 1155 CD GLU A 73 11.496 -11.547 6.293 1.00 55.02 C ATOM 1156 OE1 GLU A 73 11.390 -12.789 6.357 1.00 33.41 O ATOM 1157 OE2 GLU A 73 12.412 -10.988 5.657 1.00 71.54 O ATOM 0 H GLU A 73 11.194 -9.851 10.849 1.00 4.13 H new ATOM 0 HA GLU A 73 9.899 -8.533 8.802 1.00 33.12 H new ATOM 0 HB2 GLU A 73 11.844 -10.050 8.548 1.00 4.13 H new ATOM 0 HB3 GLU A 73 10.858 -11.428 8.996 1.00 4.13 H new ATOM 0 HG2 GLU A 73 9.497 -11.153 6.961 1.00 11.12 H new ATOM 0 HG3 GLU A 73 10.403 -9.717 6.524 1.00 11.12 H new ATOM 1164 N SER A 74 8.104 -11.111 9.852 1.00 22.51 N ATOM 1165 CA SER A 74 6.759 -11.720 9.807 1.00 21.34 C ATOM 1166 C SER A 74 5.643 -10.691 10.042 1.00 11.11 C ATOM 1167 O SER A 74 4.557 -10.796 9.467 1.00 71.41 O ATOM 1168 CB SER A 74 6.636 -12.836 10.854 1.00 21.35 C ATOM 1169 OG SER A 74 5.323 -13.382 10.876 1.00 60.44 O ATOM 0 H SER A 74 8.751 -11.574 10.491 1.00 22.51 H new ATOM 0 HA SER A 74 6.639 -12.131 8.805 1.00 21.34 H new ATOM 0 HB2 SER A 74 7.356 -13.624 10.635 1.00 21.35 H new ATOM 0 HB3 SER A 74 6.885 -12.442 11.839 1.00 21.35 H new ATOM 0 HG SER A 74 5.275 -14.091 11.551 1.00 60.44 H new ATOM 1175 N GLU A 75 5.915 -9.696 10.887 1.00 13.41 N ATOM 1176 CA GLU A 75 4.934 -8.648 11.189 1.00 24.30 C ATOM 1177 C GLU A 75 4.725 -7.717 9.986 1.00 73.01 C ATOM 1178 O GLU A 75 3.589 -7.431 9.607 1.00 72.51 O ATOM 1179 CB GLU A 75 5.376 -7.846 12.420 1.00 2.42 C ATOM 1180 CG GLU A 75 5.460 -8.683 13.690 1.00 54.24 C ATOM 1181 CD GLU A 75 5.919 -7.879 14.893 1.00 32.03 C ATOM 1182 OE1 GLU A 75 7.130 -7.616 14.998 1.00 32.32 O ATOM 1183 OE2 GLU A 75 5.078 -7.505 15.733 1.00 65.22 O ATOM 0 H GLU A 75 6.805 -9.592 11.375 1.00 13.41 H new ATOM 0 HA GLU A 75 3.981 -9.130 11.406 1.00 24.30 H new ATOM 0 HB2 GLU A 75 6.351 -7.400 12.223 1.00 2.42 H new ATOM 0 HB3 GLU A 75 4.676 -7.026 12.580 1.00 2.42 H new ATOM 0 HG2 GLU A 75 4.482 -9.117 13.900 1.00 54.24 H new ATOM 0 HG3 GLU A 75 6.148 -9.513 13.529 1.00 54.24 H new ATOM 1190 N CYS A 76 5.822 -7.258 9.378 1.00 44.32 N ATOM 1191 CA CYS A 76 5.742 -6.440 8.158 1.00 4.31 C ATOM 1192 C CYS A 76 4.964 -7.183 7.061 1.00 60.21 C ATOM 1193 O CYS A 76 4.087 -6.620 6.403 1.00 35.25 O ATOM 1194 CB CYS A 76 7.147 -6.094 7.638 1.00 11.41 C ATOM 1195 SG CYS A 76 8.194 -5.224 8.831 1.00 63.21 S ATOM 0 H CYS A 76 6.772 -7.436 9.705 1.00 44.32 H new ATOM 0 HA CYS A 76 5.219 -5.518 8.410 1.00 4.31 H new ATOM 0 HB2 CYS A 76 7.647 -7.015 7.338 1.00 11.41 H new ATOM 0 HB3 CYS A 76 7.049 -5.479 6.743 1.00 11.41 H new ATOM 0 HG CYS A 76 8.217 -3.956 8.545 1.00 63.21 H new ATOM 1201 N LEU A 77 5.290 -8.464 6.888 1.00 33.23 N ATOM 1202 CA LEU A 77 4.616 -9.316 5.905 1.00 35.00 C ATOM 1203 C LEU A 77 3.126 -9.487 6.239 1.00 54.41 C ATOM 1204 O LEU A 77 2.277 -9.450 5.348 1.00 73.52 O ATOM 1205 CB LEU A 77 5.305 -10.687 5.834 1.00 21.14 C ATOM 1206 CG LEU A 77 6.800 -10.652 5.466 1.00 13.14 C ATOM 1207 CD1 LEU A 77 7.389 -12.059 5.449 1.00 50.13 C ATOM 1208 CD2 LEU A 77 7.013 -9.960 4.120 1.00 33.12 C ATOM 0 H LEU A 77 6.021 -8.938 7.419 1.00 33.23 H new ATOM 0 HA LEU A 77 4.687 -8.828 4.933 1.00 35.00 H new ATOM 0 HB2 LEU A 77 5.197 -11.181 6.800 1.00 21.14 H new ATOM 0 HB3 LEU A 77 4.781 -11.301 5.102 1.00 21.14 H new ATOM 0 HG LEU A 77 7.321 -10.076 6.230 1.00 13.14 H new ATOM 0 HD11 LEU A 77 8.446 -12.008 5.186 1.00 50.13 H new ATOM 0 HD12 LEU A 77 7.282 -12.510 6.435 1.00 50.13 H new ATOM 0 HD13 LEU A 77 6.861 -12.666 4.713 1.00 50.13 H new ATOM 0 HD21 LEU A 77 8.077 -9.947 3.882 1.00 33.12 H new ATOM 0 HD22 LEU A 77 6.473 -10.501 3.343 1.00 33.12 H new ATOM 0 HD23 LEU A 77 6.641 -8.937 4.174 1.00 33.12 H new ATOM 1220 N SER A 78 2.813 -9.664 7.526 1.00 72.21 N ATOM 1221 CA SER A 78 1.417 -9.805 7.978 1.00 2.14 C ATOM 1222 C SER A 78 0.570 -8.592 7.584 1.00 44.11 C ATOM 1223 O SER A 78 -0.563 -8.738 7.131 1.00 52.21 O ATOM 1224 CB SER A 78 1.341 -9.993 9.500 1.00 75.15 C ATOM 1225 OG SER A 78 -0.009 -10.086 9.945 1.00 23.52 O ATOM 0 H SER A 78 3.503 -9.714 8.276 1.00 72.21 H new ATOM 0 HA SER A 78 1.019 -10.691 7.484 1.00 2.14 H new ATOM 0 HB2 SER A 78 1.882 -10.895 9.784 1.00 75.15 H new ATOM 0 HB3 SER A 78 1.833 -9.156 9.997 1.00 75.15 H new ATOM 0 HG SER A 78 -0.077 -10.772 10.641 1.00 23.52 H new ATOM 1231 N ASN A 79 1.126 -7.397 7.766 1.00 34.45 N ATOM 1232 CA ASN A 79 0.425 -6.155 7.421 1.00 34.23 C ATOM 1233 C ASN A 79 0.116 -6.082 5.918 1.00 4.41 C ATOM 1234 O ASN A 79 -0.952 -5.617 5.510 1.00 23.30 O ATOM 1235 CB ASN A 79 1.257 -4.946 7.850 1.00 43.43 C ATOM 1236 CG ASN A 79 1.583 -4.968 9.330 1.00 43.05 C ATOM 1237 OD1 ASN A 79 0.853 -5.538 10.131 1.00 12.22 O ATOM 1238 ND2 ASN A 79 2.679 -4.344 9.707 1.00 0.40 N ATOM 0 H ASN A 79 2.061 -7.258 8.151 1.00 34.45 H new ATOM 0 HA ASN A 79 -0.524 -6.145 7.956 1.00 34.23 H new ATOM 0 HB2 ASN A 79 2.184 -4.923 7.276 1.00 43.43 H new ATOM 0 HB3 ASN A 79 0.713 -4.031 7.614 1.00 43.43 H new ATOM 0 HD21 ASN A 79 2.942 -4.326 10.692 1.00 0.40 H new ATOM 0 HD22 ASN A 79 3.265 -3.879 9.014 1.00 0.40 H new ATOM 1245 N ILE A 80 1.055 -6.545 5.095 1.00 41.32 N ATOM 1246 CA ILE A 80 0.845 -6.595 3.646 1.00 70.04 C ATOM 1247 C ILE A 80 -0.192 -7.673 3.279 1.00 12.03 C ATOM 1248 O ILE A 80 -1.104 -7.428 2.489 1.00 24.44 O ATOM 1249 CB ILE A 80 2.166 -6.870 2.885 1.00 12.41 C ATOM 1250 CG1 ILE A 80 3.244 -5.840 3.282 1.00 70.21 C ATOM 1251 CG2 ILE A 80 1.927 -6.849 1.373 1.00 35.32 C ATOM 1252 CD1 ILE A 80 4.594 -6.081 2.634 1.00 25.20 C ATOM 0 H ILE A 80 1.964 -6.890 5.403 1.00 41.32 H new ATOM 0 HA ILE A 80 0.471 -5.617 3.345 1.00 70.04 H new ATOM 0 HB ILE A 80 2.524 -7.862 3.161 1.00 12.41 H new ATOM 0 HG12 ILE A 80 2.896 -4.843 3.013 1.00 70.21 H new ATOM 0 HG13 ILE A 80 3.364 -5.854 4.365 1.00 70.21 H new ATOM 0 HG21 ILE A 80 2.865 -7.044 0.854 1.00 35.32 H new ATOM 0 HG22 ILE A 80 1.200 -7.617 1.109 1.00 35.32 H new ATOM 0 HG23 ILE A 80 1.546 -5.871 1.078 1.00 35.32 H new ATOM 0 HD11 ILE A 80 5.297 -5.316 2.963 1.00 25.20 H new ATOM 0 HD12 ILE A 80 4.966 -7.064 2.923 1.00 25.20 H new ATOM 0 HD13 ILE A 80 4.490 -6.037 1.550 1.00 25.20 H new ATOM 1264 N ARG A 81 -0.054 -8.865 3.872 1.00 21.15 N ATOM 1265 CA ARG A 81 -1.008 -9.962 3.643 1.00 25.21 C ATOM 1266 C ARG A 81 -2.432 -9.551 4.046 1.00 30.03 C ATOM 1267 O ARG A 81 -3.406 -9.919 3.388 1.00 22.52 O ATOM 1268 CB ARG A 81 -0.597 -11.221 4.424 1.00 11.43 C ATOM 1269 CG ARG A 81 0.756 -11.804 4.020 1.00 63.34 C ATOM 1270 CD ARG A 81 0.787 -12.231 2.554 1.00 3.55 C ATOM 1271 NE ARG A 81 -0.250 -13.212 2.236 1.00 14.33 N ATOM 1272 CZ ARG A 81 -0.291 -13.905 1.130 1.00 53.54 C ATOM 1273 NH1 ARG A 81 0.657 -13.815 0.250 1.00 52.35 N ATOM 1274 NH2 ARG A 81 -1.271 -14.717 0.919 1.00 32.02 N ATOM 0 H ARG A 81 0.706 -9.096 4.512 1.00 21.15 H new ATOM 0 HA ARG A 81 -0.995 -10.186 2.576 1.00 25.21 H new ATOM 0 HB2 ARG A 81 -0.572 -10.982 5.487 1.00 11.43 H new ATOM 0 HB3 ARG A 81 -1.363 -11.984 4.287 1.00 11.43 H new ATOM 0 HG2 ARG A 81 1.536 -11.064 4.197 1.00 63.34 H new ATOM 0 HG3 ARG A 81 0.982 -12.663 4.652 1.00 63.34 H new ATOM 0 HD2 ARG A 81 0.659 -11.353 1.920 1.00 3.55 H new ATOM 0 HD3 ARG A 81 1.765 -12.652 2.322 1.00 3.55 H new ATOM 0 HE ARG A 81 -0.989 -13.365 2.922 1.00 14.33 H new ATOM 0 HH11 ARG A 81 1.450 -13.196 0.417 1.00 52.35 H new ATOM 0 HH12 ARG A 81 0.609 -14.363 -0.609 1.00 52.35 H new ATOM 0 HH21 ARG A 81 -2.010 -14.816 1.615 1.00 32.02 H new ATOM 0 HH22 ARG A 81 -1.307 -15.260 0.056 1.00 32.02 H new ATOM 1288 N GLU A 82 -2.537 -8.791 5.134 1.00 12.32 N ATOM 1289 CA GLU A 82 -3.822 -8.282 5.621 1.00 4.04 C ATOM 1290 C GLU A 82 -4.478 -7.375 4.563 1.00 21.04 C ATOM 1291 O GLU A 82 -5.663 -7.512 4.251 1.00 63.04 O ATOM 1292 CB GLU A 82 -3.608 -7.513 6.938 1.00 54.33 C ATOM 1293 CG GLU A 82 -4.730 -7.688 7.955 1.00 43.32 C ATOM 1294 CD GLU A 82 -4.910 -9.141 8.384 1.00 42.21 C ATOM 1295 OE1 GLU A 82 -3.979 -9.706 9.001 1.00 42.31 O ATOM 1296 OE2 GLU A 82 -5.978 -9.727 8.117 1.00 54.44 O ATOM 0 H GLU A 82 -1.738 -8.510 5.703 1.00 12.32 H new ATOM 0 HA GLU A 82 -4.491 -9.122 5.807 1.00 4.04 H new ATOM 0 HB2 GLU A 82 -2.671 -7.840 7.388 1.00 54.33 H new ATOM 0 HB3 GLU A 82 -3.500 -6.452 6.712 1.00 54.33 H new ATOM 0 HG2 GLU A 82 -4.519 -7.077 8.833 1.00 43.32 H new ATOM 0 HG3 GLU A 82 -5.663 -7.321 7.528 1.00 43.32 H new ATOM 1303 N PHE A 83 -3.685 -6.456 4.010 1.00 52.54 N ATOM 1304 CA PHE A 83 -4.127 -5.590 2.907 1.00 54.44 C ATOM 1305 C PHE A 83 -4.619 -6.421 1.706 1.00 13.24 C ATOM 1306 O PHE A 83 -5.687 -6.158 1.146 1.00 65.04 O ATOM 1307 CB PHE A 83 -2.968 -4.671 2.485 1.00 61.44 C ATOM 1308 CG PHE A 83 -3.250 -3.822 1.267 1.00 53.34 C ATOM 1309 CD1 PHE A 83 -4.051 -2.691 1.360 1.00 52.12 C ATOM 1310 CD2 PHE A 83 -2.708 -4.153 0.032 1.00 22.21 C ATOM 1311 CE1 PHE A 83 -4.305 -1.912 0.247 1.00 32.13 C ATOM 1312 CE2 PHE A 83 -2.960 -3.376 -1.083 1.00 70.41 C ATOM 1313 CZ PHE A 83 -3.758 -2.255 -0.975 1.00 15.12 C ATOM 0 H PHE A 83 -2.724 -6.289 4.309 1.00 52.54 H new ATOM 0 HA PHE A 83 -4.965 -4.985 3.253 1.00 54.44 H new ATOM 0 HB2 PHE A 83 -2.719 -4.015 3.319 1.00 61.44 H new ATOM 0 HB3 PHE A 83 -2.088 -5.284 2.289 1.00 61.44 H new ATOM 0 HD1 PHE A 83 -4.480 -2.417 2.313 1.00 52.12 H new ATOM 0 HD2 PHE A 83 -2.082 -5.028 -0.058 1.00 22.21 H new ATOM 0 HE1 PHE A 83 -4.931 -1.036 0.332 1.00 32.13 H new ATOM 0 HE2 PHE A 83 -2.533 -3.646 -2.038 1.00 70.41 H new ATOM 0 HZ PHE A 83 -3.955 -1.646 -1.845 1.00 15.12 H new ATOM 1323 N LEU A 84 -3.830 -7.425 1.323 1.00 62.43 N ATOM 1324 CA LEU A 84 -4.190 -8.333 0.223 1.00 34.41 C ATOM 1325 C LEU A 84 -5.518 -9.056 0.508 1.00 23.42 C ATOM 1326 O LEU A 84 -6.375 -9.179 -0.367 1.00 11.03 O ATOM 1327 CB LEU A 84 -3.073 -9.366 0.014 1.00 10.31 C ATOM 1328 CG LEU A 84 -1.681 -8.783 -0.280 1.00 35.42 C ATOM 1329 CD1 LEU A 84 -0.625 -9.888 -0.294 1.00 3.45 C ATOM 1330 CD2 LEU A 84 -1.685 -8.015 -1.601 1.00 2.22 C ATOM 0 H LEU A 84 -2.932 -7.634 1.758 1.00 62.43 H new ATOM 0 HA LEU A 84 -4.314 -7.737 -0.681 1.00 34.41 H new ATOM 0 HB2 LEU A 84 -3.006 -9.989 0.906 1.00 10.31 H new ATOM 0 HB3 LEU A 84 -3.356 -10.020 -0.811 1.00 10.31 H new ATOM 0 HG LEU A 84 -1.428 -8.083 0.516 1.00 35.42 H new ATOM 0 HD11 LEU A 84 0.353 -9.454 -0.504 1.00 3.45 H new ATOM 0 HD12 LEU A 84 -0.602 -10.382 0.678 1.00 3.45 H new ATOM 0 HD13 LEU A 84 -0.872 -10.617 -1.066 1.00 3.45 H new ATOM 0 HD21 LEU A 84 -0.690 -7.611 -1.790 1.00 2.22 H new ATOM 0 HD22 LEU A 84 -1.963 -8.688 -2.412 1.00 2.22 H new ATOM 0 HD23 LEU A 84 -2.404 -7.198 -1.545 1.00 2.22 H new ATOM 1342 N ARG A 85 -5.670 -9.529 1.742 1.00 12.44 N ATOM 1343 CA ARG A 85 -6.887 -10.218 2.185 1.00 51.35 C ATOM 1344 C ARG A 85 -8.120 -9.300 2.118 1.00 41.32 C ATOM 1345 O ARG A 85 -9.202 -9.726 1.712 1.00 24.34 O ATOM 1346 CB ARG A 85 -6.676 -10.750 3.614 1.00 52.22 C ATOM 1347 CG ARG A 85 -5.905 -12.072 3.667 1.00 44.54 C ATOM 1348 CD ARG A 85 -5.100 -12.233 4.957 1.00 23.24 C ATOM 1349 NE ARG A 85 -5.853 -11.848 6.147 1.00 31.31 N ATOM 1350 CZ ARG A 85 -6.535 -12.671 6.894 1.00 4.32 C ATOM 1351 NH1 ARG A 85 -6.664 -13.917 6.572 1.00 63.13 N ATOM 1352 NH2 ARG A 85 -7.102 -12.231 7.965 1.00 51.10 N ATOM 0 H ARG A 85 -4.956 -9.447 2.466 1.00 12.44 H new ATOM 0 HA ARG A 85 -7.078 -11.052 1.510 1.00 51.35 H new ATOM 0 HB2 ARG A 85 -6.138 -10.002 4.196 1.00 52.22 H new ATOM 0 HB3 ARG A 85 -7.647 -10.886 4.090 1.00 52.22 H new ATOM 0 HG2 ARG A 85 -6.607 -12.901 3.575 1.00 44.54 H new ATOM 0 HG3 ARG A 85 -5.230 -12.129 2.813 1.00 44.54 H new ATOM 0 HD2 ARG A 85 -4.782 -13.271 5.054 1.00 23.24 H new ATOM 0 HD3 ARG A 85 -4.196 -11.628 4.893 1.00 23.24 H new ATOM 0 HE ARG A 85 -5.845 -10.863 6.414 1.00 31.31 H new ATOM 0 HH11 ARG A 85 -6.228 -14.271 5.721 1.00 63.13 H new ATOM 0 HH12 ARG A 85 -7.201 -14.545 7.169 1.00 63.13 H new ATOM 0 HH21 ARG A 85 -7.015 -11.248 8.221 1.00 51.10 H new ATOM 0 HH22 ARG A 85 -7.638 -12.866 8.556 1.00 51.10 H new ATOM 1366 N GLY A 86 -7.952 -8.040 2.509 1.00 42.42 N ATOM 1367 CA GLY A 86 -9.051 -7.084 2.453 1.00 30.23 C ATOM 1368 C GLY A 86 -9.453 -6.717 1.023 1.00 75.43 C ATOM 1369 O GLY A 86 -10.588 -6.967 0.601 1.00 44.11 O ATOM 0 H GLY A 86 -7.074 -7.661 2.864 1.00 42.42 H new ATOM 0 HA2 GLY A 86 -9.914 -7.501 2.971 1.00 30.23 H new ATOM 0 HA3 GLY A 86 -8.765 -6.178 2.988 1.00 30.23 H new ATOM 1373 N CYS A 87 -8.518 -6.134 0.270 1.00 24.14 N ATOM 1374 CA CYS A 87 -8.775 -5.732 -1.122 1.00 2.22 C ATOM 1375 C CYS A 87 -9.156 -6.930 -2.001 1.00 44.13 C ATOM 1376 O CYS A 87 -10.055 -6.834 -2.838 1.00 72.30 O ATOM 1377 CB CYS A 87 -7.546 -5.030 -1.714 1.00 64.04 C ATOM 1378 SG CYS A 87 -7.069 -3.522 -0.845 1.00 53.22 S ATOM 0 H CYS A 87 -7.574 -5.928 0.597 1.00 24.14 H new ATOM 0 HA CYS A 87 -9.618 -5.041 -1.107 1.00 2.22 H new ATOM 0 HB2 CYS A 87 -6.705 -5.723 -1.704 1.00 64.04 H new ATOM 0 HB3 CYS A 87 -7.747 -4.787 -2.757 1.00 64.04 H new ATOM 0 HG CYS A 87 -5.773 -3.417 -0.837 1.00 53.22 H new ATOM 1384 N GLY A 88 -8.472 -8.056 -1.801 1.00 70.31 N ATOM 1385 CA GLY A 88 -8.738 -9.260 -2.586 1.00 14.22 C ATOM 1386 C GLY A 88 -10.115 -9.869 -2.328 1.00 13.11 C ATOM 1387 O GLY A 88 -10.660 -10.566 -3.185 1.00 13.35 O ATOM 0 H GLY A 88 -7.733 -8.159 -1.105 1.00 70.31 H new ATOM 0 HA2 GLY A 88 -8.650 -9.019 -3.645 1.00 14.22 H new ATOM 0 HA3 GLY A 88 -7.974 -10.005 -2.363 1.00 14.22 H new ATOM 1391 N ALA A 89 -10.679 -9.618 -1.148 1.00 1.14 N ATOM 1392 CA ALA A 89 -12.006 -10.141 -0.799 1.00 42.22 C ATOM 1393 C ALA A 89 -13.134 -9.227 -1.304 1.00 34.12 C ATOM 1394 O ALA A 89 -14.033 -9.669 -2.021 1.00 62.41 O ATOM 1395 CB ALA A 89 -12.116 -10.329 0.710 1.00 53.20 C ATOM 0 H ALA A 89 -10.242 -9.057 -0.416 1.00 1.14 H new ATOM 0 HA ALA A 89 -12.120 -11.106 -1.293 1.00 42.22 H new ATOM 0 HB1 ALA A 89 -13.104 -10.717 0.957 1.00 53.20 H new ATOM 0 HB2 ALA A 89 -11.355 -11.034 1.045 1.00 53.20 H new ATOM 0 HB3 ALA A 89 -11.968 -9.371 1.208 1.00 53.20 H new ATOM 1401 N SER A 90 -13.081 -7.950 -0.927 1.00 74.34 N ATOM 1402 CA SER A 90 -14.133 -6.987 -1.301 1.00 1.42 C ATOM 1403 C SER A 90 -14.029 -6.557 -2.772 1.00 51.41 C ATOM 1404 O SER A 90 -14.971 -6.722 -3.547 1.00 63.31 O ATOM 1405 CB SER A 90 -14.078 -5.745 -0.400 1.00 55.12 C ATOM 1406 OG SER A 90 -15.045 -4.782 -0.792 1.00 12.23 O ATOM 0 H SER A 90 -12.327 -7.553 -0.366 1.00 74.34 H new ATOM 0 HA SER A 90 -15.087 -7.496 -1.164 1.00 1.42 H new ATOM 0 HB2 SER A 90 -14.251 -6.036 0.636 1.00 55.12 H new ATOM 0 HB3 SER A 90 -13.082 -5.304 -0.445 1.00 55.12 H new ATOM 0 HG SER A 90 -15.216 -4.169 -0.047 1.00 12.23 H new ATOM 1412 N LEU A 91 -12.880 -6.005 -3.152 1.00 61.12 N ATOM 1413 CA LEU A 91 -12.677 -5.495 -4.516 1.00 12.14 C ATOM 1414 C LEU A 91 -12.213 -6.591 -5.486 1.00 0.24 C ATOM 1415 O LEU A 91 -12.459 -6.507 -6.689 1.00 22.23 O ATOM 1416 CB LEU A 91 -11.664 -4.342 -4.484 1.00 45.13 C ATOM 1417 CG LEU A 91 -12.201 -3.034 -3.877 1.00 23.23 C ATOM 1418 CD1 LEU A 91 -11.066 -2.064 -3.567 1.00 33.40 C ATOM 1419 CD2 LEU A 91 -13.217 -2.390 -4.821 1.00 31.21 C ATOM 0 H LEU A 91 -12.072 -5.897 -2.539 1.00 61.12 H new ATOM 0 HA LEU A 91 -13.637 -5.134 -4.885 1.00 12.14 H new ATOM 0 HB2 LEU A 91 -10.790 -4.659 -3.915 1.00 45.13 H new ATOM 0 HB3 LEU A 91 -11.327 -4.144 -5.501 1.00 45.13 H new ATOM 0 HG LEU A 91 -12.699 -3.275 -2.938 1.00 23.23 H new ATOM 0 HD11 LEU A 91 -11.476 -1.149 -3.139 1.00 33.40 H new ATOM 0 HD12 LEU A 91 -10.380 -2.522 -2.854 1.00 33.40 H new ATOM 0 HD13 LEU A 91 -10.529 -1.826 -4.486 1.00 33.40 H new ATOM 0 HD21 LEU A 91 -13.589 -1.466 -4.379 1.00 31.21 H new ATOM 0 HD22 LEU A 91 -12.738 -2.169 -5.775 1.00 31.21 H new ATOM 0 HD23 LEU A 91 -14.049 -3.075 -4.982 1.00 31.21 H new ATOM 1431 N ARG A 92 -11.535 -7.609 -4.954 1.00 23.32 N ATOM 1432 CA ARG A 92 -11.068 -8.754 -5.753 1.00 54.13 C ATOM 1433 C ARG A 92 -10.131 -8.315 -6.896 1.00 53.13 C ATOM 1434 O ARG A 92 -9.984 -9.011 -7.901 1.00 71.15 O ATOM 1435 CB ARG A 92 -12.274 -9.530 -6.308 1.00 11.33 C ATOM 1436 CG ARG A 92 -13.298 -9.909 -5.240 1.00 1.11 C ATOM 1437 CD ARG A 92 -14.450 -10.720 -5.820 1.00 70.43 C ATOM 1438 NE ARG A 92 -14.007 -12.017 -6.326 1.00 22.52 N ATOM 1439 CZ ARG A 92 -14.813 -12.964 -6.715 1.00 63.13 C ATOM 1440 NH1 ARG A 92 -16.097 -12.783 -6.719 1.00 11.45 N ATOM 1441 NH2 ARG A 92 -14.323 -14.089 -7.114 1.00 43.52 N ATOM 0 H ARG A 92 -11.293 -7.668 -3.965 1.00 23.32 H new ATOM 0 HA ARG A 92 -10.490 -9.407 -5.098 1.00 54.13 H new ATOM 0 HB2 ARG A 92 -12.764 -8.926 -7.072 1.00 11.33 H new ATOM 0 HB3 ARG A 92 -11.919 -10.437 -6.797 1.00 11.33 H new ATOM 0 HG2 ARG A 92 -12.808 -10.485 -4.455 1.00 1.11 H new ATOM 0 HG3 ARG A 92 -13.689 -9.004 -4.775 1.00 1.11 H new ATOM 0 HD2 ARG A 92 -15.210 -10.871 -5.053 1.00 70.43 H new ATOM 0 HD3 ARG A 92 -14.919 -10.157 -6.627 1.00 70.43 H new ATOM 0 HE ARG A 92 -13.004 -12.192 -6.378 1.00 22.52 H new ATOM 0 HH11 ARG A 92 -16.487 -11.891 -6.415 1.00 11.45 H new ATOM 0 HH12 ARG A 92 -16.717 -13.533 -7.026 1.00 11.45 H new ATOM 0 HH21 ARG A 92 -13.313 -14.231 -7.123 1.00 43.52 H new ATOM 0 HH22 ARG A 92 -14.946 -14.836 -7.420 1.00 43.52 H new ATOM 1455 N LEU A 93 -9.472 -7.172 -6.710 1.00 72.12 N ATOM 1456 CA LEU A 93 -8.576 -6.605 -7.727 1.00 64.11 C ATOM 1457 C LEU A 93 -7.236 -7.361 -7.806 1.00 61.30 C ATOM 1458 O LEU A 93 -6.913 -8.164 -6.926 1.00 30.02 O ATOM 1459 CB LEU A 93 -8.359 -5.104 -7.446 1.00 65.24 C ATOM 1460 CG LEU A 93 -7.927 -4.734 -6.010 1.00 73.24 C ATOM 1461 CD1 LEU A 93 -6.437 -4.976 -5.790 1.00 25.32 C ATOM 1462 CD2 LEU A 93 -8.281 -3.284 -5.700 1.00 54.51 C ATOM 0 H LEU A 93 -9.540 -6.614 -5.859 1.00 72.12 H new ATOM 0 HA LEU A 93 -9.050 -6.719 -8.702 1.00 64.11 H new ATOM 0 HB2 LEU A 93 -7.603 -4.732 -8.138 1.00 65.24 H new ATOM 0 HB3 LEU A 93 -9.285 -4.576 -7.672 1.00 65.24 H new ATOM 0 HG LEU A 93 -8.473 -5.384 -5.326 1.00 73.24 H new ATOM 0 HD11 LEU A 93 -6.171 -4.704 -4.768 1.00 25.32 H new ATOM 0 HD12 LEU A 93 -6.211 -6.029 -5.956 1.00 25.32 H new ATOM 0 HD13 LEU A 93 -5.863 -4.368 -6.489 1.00 25.32 H new ATOM 0 HD21 LEU A 93 -7.969 -3.042 -4.684 1.00 54.51 H new ATOM 0 HD22 LEU A 93 -7.770 -2.626 -6.403 1.00 54.51 H new ATOM 0 HD23 LEU A 93 -9.358 -3.145 -5.791 1.00 54.51 H new ATOM 1474 N GLU A 94 -6.470 -7.116 -8.877 1.00 73.24 N ATOM 1475 CA GLU A 94 -5.167 -7.776 -9.073 1.00 32.14 C ATOM 1476 C GLU A 94 -4.197 -7.476 -7.918 1.00 2.23 C ATOM 1477 O GLU A 94 -3.886 -6.321 -7.632 1.00 20.13 O ATOM 1478 CB GLU A 94 -4.542 -7.357 -10.414 1.00 31.10 C ATOM 1479 CG GLU A 94 -5.341 -7.808 -11.633 1.00 61.02 C ATOM 1480 CD GLU A 94 -4.624 -7.529 -12.947 1.00 12.30 C ATOM 1481 OE1 GLU A 94 -3.675 -8.271 -13.284 1.00 42.02 O ATOM 1482 OE2 GLU A 94 -5.002 -6.570 -13.655 1.00 41.14 O ATOM 0 H GLU A 94 -6.727 -6.467 -9.621 1.00 73.24 H new ATOM 0 HA GLU A 94 -5.347 -8.851 -9.087 1.00 32.14 H new ATOM 0 HB2 GLU A 94 -4.445 -6.272 -10.436 1.00 31.10 H new ATOM 0 HB3 GLU A 94 -3.535 -7.768 -10.479 1.00 31.10 H new ATOM 0 HG2 GLU A 94 -5.542 -8.876 -11.554 1.00 61.02 H new ATOM 0 HG3 GLU A 94 -6.306 -7.301 -11.637 1.00 61.02 H new ATOM 1489 N THR A 95 -3.718 -8.535 -7.268 1.00 54.35 N ATOM 1490 CA THR A 95 -2.881 -8.406 -6.065 1.00 4.01 C ATOM 1491 C THR A 95 -1.429 -8.857 -6.299 1.00 12.45 C ATOM 1492 O THR A 95 -1.060 -9.301 -7.388 1.00 55.01 O ATOM 1493 CB THR A 95 -3.473 -9.230 -4.893 1.00 61.32 C ATOM 1494 OG1 THR A 95 -3.649 -10.600 -5.293 1.00 0.40 O ATOM 1495 CG2 THR A 95 -4.810 -8.656 -4.432 1.00 43.41 C ATOM 0 H THR A 95 -3.893 -9.499 -7.552 1.00 54.35 H new ATOM 0 HA THR A 95 -2.873 -7.345 -5.816 1.00 4.01 H new ATOM 0 HB THR A 95 -2.772 -9.179 -4.060 1.00 61.32 H new ATOM 0 HG1 THR A 95 -4.022 -11.114 -4.546 1.00 0.40 H new ATOM 0 HG21 THR A 95 -5.199 -9.256 -3.609 1.00 43.41 H new ATOM 0 HG22 THR A 95 -4.669 -7.629 -4.097 1.00 43.41 H new ATOM 0 HG23 THR A 95 -5.518 -8.673 -5.260 1.00 43.41 H new ATOM 1503 N PHE A 96 -0.615 -8.737 -5.250 1.00 5.44 N ATOM 1504 CA PHE A 96 0.801 -9.131 -5.279 1.00 5.21 C ATOM 1505 C PHE A 96 1.161 -9.905 -3.999 1.00 11.24 C ATOM 1506 O PHE A 96 0.303 -10.125 -3.147 1.00 70.11 O ATOM 1507 CB PHE A 96 1.692 -7.884 -5.415 1.00 54.14 C ATOM 1508 CG PHE A 96 1.520 -6.883 -4.293 1.00 20.31 C ATOM 1509 CD1 PHE A 96 0.470 -5.975 -4.311 1.00 33.43 C ATOM 1510 CD2 PHE A 96 2.405 -6.851 -3.224 1.00 4.14 C ATOM 1511 CE1 PHE A 96 0.308 -5.058 -3.287 1.00 3.03 C ATOM 1512 CE2 PHE A 96 2.247 -5.938 -2.200 1.00 72.12 C ATOM 1513 CZ PHE A 96 1.198 -5.040 -2.232 1.00 24.11 C ATOM 0 H PHE A 96 -0.917 -8.363 -4.351 1.00 5.44 H new ATOM 0 HA PHE A 96 0.970 -9.779 -6.139 1.00 5.21 H new ATOM 0 HB2 PHE A 96 2.735 -8.197 -5.453 1.00 54.14 H new ATOM 0 HB3 PHE A 96 1.472 -7.394 -6.363 1.00 54.14 H new ATOM 0 HD1 PHE A 96 -0.229 -5.984 -5.134 1.00 33.43 H new ATOM 0 HD2 PHE A 96 3.228 -7.549 -3.193 1.00 4.14 H new ATOM 0 HE1 PHE A 96 -0.514 -4.358 -3.313 1.00 3.03 H new ATOM 0 HE2 PHE A 96 2.943 -5.926 -1.375 1.00 72.12 H new ATOM 0 HZ PHE A 96 1.074 -4.325 -1.432 1.00 24.11 H new ATOM 1523 N ASP A 97 2.416 -10.333 -3.864 1.00 72.01 N ATOM 1524 CA ASP A 97 2.861 -11.016 -2.641 1.00 44.12 C ATOM 1525 C ASP A 97 3.639 -10.065 -1.713 1.00 63.43 C ATOM 1526 O ASP A 97 4.241 -9.087 -2.161 1.00 3.02 O ATOM 1527 CB ASP A 97 3.718 -12.237 -2.983 1.00 41.43 C ATOM 1528 CG ASP A 97 4.095 -13.027 -1.744 1.00 41.35 C ATOM 1529 OD1 ASP A 97 3.239 -13.780 -1.232 1.00 61.41 O ATOM 1530 OD2 ASP A 97 5.233 -12.877 -1.256 1.00 35.05 O ATOM 0 H ASP A 97 3.138 -10.223 -4.576 1.00 72.01 H new ATOM 0 HA ASP A 97 1.969 -11.349 -2.111 1.00 44.12 H new ATOM 0 HB2 ASP A 97 3.173 -12.881 -3.673 1.00 41.43 H new ATOM 0 HB3 ASP A 97 4.623 -11.913 -3.497 1.00 41.43 H new ATOM 1535 N ALA A 98 3.634 -10.377 -0.418 1.00 5.04 N ATOM 1536 CA ALA A 98 4.278 -9.530 0.592 1.00 55.53 C ATOM 1537 C ALA A 98 5.787 -9.364 0.346 1.00 63.24 C ATOM 1538 O ALA A 98 6.337 -8.276 0.523 1.00 31.32 O ATOM 1539 CB ALA A 98 4.026 -10.098 1.986 1.00 2.43 C ATOM 0 H ALA A 98 3.190 -11.213 -0.040 1.00 5.04 H new ATOM 0 HA ALA A 98 3.833 -8.538 0.515 1.00 55.53 H new ATOM 0 HB1 ALA A 98 4.507 -9.463 2.730 1.00 2.43 H new ATOM 0 HB2 ALA A 98 2.953 -10.131 2.177 1.00 2.43 H new ATOM 0 HB3 ALA A 98 4.437 -11.106 2.048 1.00 2.43 H new ATOM 1545 N ASN A 99 6.451 -10.438 -0.073 1.00 13.32 N ATOM 1546 CA ASN A 99 7.903 -10.413 -0.274 1.00 62.42 C ATOM 1547 C ASN A 99 8.299 -9.567 -1.497 1.00 73.42 C ATOM 1548 O ASN A 99 9.392 -8.998 -1.533 1.00 73.52 O ATOM 1549 CB ASN A 99 8.445 -11.842 -0.400 1.00 22.01 C ATOM 1550 CG ASN A 99 8.237 -12.650 0.872 1.00 10.43 C ATOM 1551 OD1 ASN A 99 7.274 -12.450 1.603 1.00 31.40 O ATOM 1552 ND2 ASN A 99 9.139 -13.562 1.155 1.00 25.33 N ATOM 0 H ASN A 99 6.012 -11.335 -0.280 1.00 13.32 H new ATOM 0 HA ASN A 99 8.352 -9.941 0.600 1.00 62.42 H new ATOM 0 HB2 ASN A 99 7.951 -12.344 -1.232 1.00 22.01 H new ATOM 0 HB3 ASN A 99 9.509 -11.806 -0.636 1.00 22.01 H new ATOM 0 HD21 ASN A 99 9.048 -14.125 2.001 1.00 25.33 H new ATOM 0 HD22 ASN A 99 9.931 -13.708 0.529 1.00 25.33 H new ATOM 1559 N ASP A 100 7.410 -9.465 -2.489 1.00 22.25 N ATOM 1560 CA ASP A 100 7.658 -8.600 -3.648 1.00 23.40 C ATOM 1561 C ASP A 100 7.860 -7.141 -3.212 1.00 22.24 C ATOM 1562 O ASP A 100 8.794 -6.471 -3.655 1.00 34.14 O ATOM 1563 CB ASP A 100 6.505 -8.682 -4.658 1.00 20.31 C ATOM 1564 CG ASP A 100 6.480 -10.000 -5.406 1.00 62.50 C ATOM 1565 OD1 ASP A 100 7.438 -10.276 -6.158 1.00 22.25 O ATOM 1566 OD2 ASP A 100 5.497 -10.752 -5.272 1.00 35.14 O ATOM 0 H ASP A 100 6.521 -9.964 -2.515 1.00 22.25 H new ATOM 0 HA ASP A 100 8.570 -8.955 -4.129 1.00 23.40 H new ATOM 0 HB2 ASP A 100 5.558 -8.547 -4.135 1.00 20.31 H new ATOM 0 HB3 ASP A 100 6.594 -7.864 -5.373 1.00 20.31 H new ATOM 1571 N LEU A 101 6.986 -6.664 -2.330 1.00 13.32 N ATOM 1572 CA LEU A 101 7.067 -5.293 -1.820 1.00 55.22 C ATOM 1573 C LEU A 101 8.154 -5.154 -0.739 1.00 1.50 C ATOM 1574 O LEU A 101 9.025 -4.291 -0.830 1.00 73.52 O ATOM 1575 CB LEU A 101 5.702 -4.861 -1.260 1.00 54.11 C ATOM 1576 CG LEU A 101 5.667 -3.489 -0.562 1.00 64.43 C ATOM 1577 CD1 LEU A 101 6.196 -2.387 -1.480 1.00 51.43 C ATOM 1578 CD2 LEU A 101 4.247 -3.169 -0.100 1.00 54.11 C ATOM 0 H LEU A 101 6.210 -7.207 -1.951 1.00 13.32 H new ATOM 0 HA LEU A 101 7.341 -4.641 -2.650 1.00 55.22 H new ATOM 0 HB2 LEU A 101 4.982 -4.850 -2.078 1.00 54.11 H new ATOM 0 HB3 LEU A 101 5.366 -5.617 -0.550 1.00 54.11 H new ATOM 0 HG LEU A 101 6.319 -3.535 0.311 1.00 64.43 H new ATOM 0 HD11 LEU A 101 6.159 -1.430 -0.959 1.00 51.43 H new ATOM 0 HD12 LEU A 101 7.226 -2.609 -1.758 1.00 51.43 H new ATOM 0 HD13 LEU A 101 5.581 -2.335 -2.378 1.00 51.43 H new ATOM 0 HD21 LEU A 101 4.235 -2.196 0.392 1.00 54.11 H new ATOM 0 HD22 LEU A 101 3.580 -3.148 -0.962 1.00 54.11 H new ATOM 0 HD23 LEU A 101 3.911 -3.934 0.600 1.00 54.11 H new ATOM 1590 N TYR A 102 8.108 -6.023 0.269 1.00 41.25 N ATOM 1591 CA TYR A 102 9.048 -5.967 1.397 1.00 71.51 C ATOM 1592 C TYR A 102 10.518 -6.060 0.937 1.00 52.11 C ATOM 1593 O TYR A 102 11.378 -5.315 1.413 1.00 54.31 O ATOM 1594 CB TYR A 102 8.727 -7.086 2.399 1.00 61.45 C ATOM 1595 CG TYR A 102 9.650 -7.113 3.604 1.00 40.22 C ATOM 1596 CD1 TYR A 102 9.542 -6.161 4.613 1.00 34.30 C ATOM 1597 CD2 TYR A 102 10.638 -8.083 3.725 1.00 70.21 C ATOM 1598 CE1 TYR A 102 10.392 -6.175 5.703 1.00 75.55 C ATOM 1599 CE2 TYR A 102 11.487 -8.104 4.812 1.00 13.40 C ATOM 1600 CZ TYR A 102 11.363 -7.150 5.798 1.00 20.31 C ATOM 1601 OH TYR A 102 12.217 -7.175 6.882 1.00 30.41 O ATOM 0 H TYR A 102 7.427 -6.780 0.331 1.00 41.25 H new ATOM 0 HA TYR A 102 8.926 -4.998 1.881 1.00 71.51 H new ATOM 0 HB2 TYR A 102 7.699 -6.969 2.743 1.00 61.45 H new ATOM 0 HB3 TYR A 102 8.785 -8.047 1.887 1.00 61.45 H new ATOM 0 HD1 TYR A 102 8.781 -5.398 4.543 1.00 34.30 H new ATOM 0 HD2 TYR A 102 10.743 -8.833 2.955 1.00 70.21 H new ATOM 0 HE1 TYR A 102 10.296 -5.427 6.476 1.00 75.55 H new ATOM 0 HE2 TYR A 102 12.247 -8.867 4.890 1.00 13.40 H new ATOM 0 HH TYR A 102 12.839 -7.927 6.791 1.00 30.41 H new ATOM 1611 N GLN A 103 10.799 -6.972 0.007 1.00 62.14 N ATOM 1612 CA GLN A 103 12.162 -7.152 -0.514 1.00 42.50 C ATOM 1613 C GLN A 103 12.430 -6.257 -1.741 1.00 4.31 C ATOM 1614 O GLN A 103 13.530 -6.266 -2.291 1.00 40.25 O ATOM 1615 CB GLN A 103 12.405 -8.628 -0.879 1.00 2.40 C ATOM 1616 CG GLN A 103 12.355 -9.584 0.311 1.00 34.42 C ATOM 1617 CD GLN A 103 13.466 -9.330 1.323 1.00 53.33 C ATOM 1618 OE1 GLN A 103 14.545 -8.863 0.977 1.00 35.22 O ATOM 1619 NE2 GLN A 103 13.218 -9.643 2.581 1.00 60.24 N ATOM 0 H GLN A 103 10.106 -7.598 -0.403 1.00 62.14 H new ATOM 0 HA GLN A 103 12.854 -6.855 0.274 1.00 42.50 H new ATOM 0 HB2 GLN A 103 11.659 -8.937 -1.611 1.00 2.40 H new ATOM 0 HB3 GLN A 103 13.379 -8.716 -1.361 1.00 2.40 H new ATOM 0 HG2 GLN A 103 11.389 -9.488 0.807 1.00 34.42 H new ATOM 0 HG3 GLN A 103 12.427 -10.610 -0.050 1.00 34.42 H new ATOM 0 HE21 GLN A 103 12.311 -10.030 2.841 1.00 60.24 H new ATOM 0 HE22 GLN A 103 13.933 -9.498 3.293 1.00 60.24 H new ATOM 1628 N GLY A 104 11.419 -5.493 -2.168 1.00 62.51 N ATOM 1629 CA GLY A 104 11.570 -4.607 -3.326 1.00 54.41 C ATOM 1630 C GLY A 104 11.848 -5.351 -4.633 1.00 30.24 C ATOM 1631 O GLY A 104 12.562 -4.847 -5.507 1.00 41.21 O ATOM 0 H GLY A 104 10.496 -5.470 -1.734 1.00 62.51 H new ATOM 0 HA2 GLY A 104 10.662 -4.015 -3.441 1.00 54.41 H new ATOM 0 HA3 GLY A 104 12.385 -3.908 -3.135 1.00 54.41 H new ATOM 1635 N GLN A 105 11.271 -6.542 -4.778 1.00 20.12 N ATOM 1636 CA GLN A 105 11.477 -7.368 -5.975 1.00 11.42 C ATOM 1637 C GLN A 105 10.747 -6.786 -7.198 1.00 34.32 C ATOM 1638 O GLN A 105 11.369 -6.182 -8.076 1.00 74.44 O ATOM 1639 CB GLN A 105 11.008 -8.814 -5.726 1.00 64.40 C ATOM 1640 CG GLN A 105 11.781 -9.544 -4.630 1.00 62.22 C ATOM 1641 CD GLN A 105 13.273 -9.635 -4.920 1.00 13.41 C ATOM 1642 OE1 GLN A 105 13.698 -9.659 -6.072 1.00 51.23 O ATOM 1643 NE2 GLN A 105 14.080 -9.695 -3.882 1.00 63.11 N ATOM 0 H GLN A 105 10.655 -6.961 -4.082 1.00 20.12 H new ATOM 0 HA GLN A 105 12.546 -7.370 -6.186 1.00 11.42 H new ATOM 0 HB2 GLN A 105 9.951 -8.800 -5.462 1.00 64.40 H new ATOM 0 HB3 GLN A 105 11.097 -9.378 -6.655 1.00 64.40 H new ATOM 0 HG2 GLN A 105 11.631 -9.029 -3.681 1.00 62.22 H new ATOM 0 HG3 GLN A 105 11.376 -10.549 -4.514 1.00 62.22 H new ATOM 0 HE21 GLN A 105 13.698 -9.673 -2.937 1.00 63.11 H new ATOM 0 HE22 GLN A 105 15.088 -9.763 -4.023 1.00 63.11 H new ATOM 1652 N ASN A 106 9.425 -6.968 -7.246 1.00 63.42 N ATOM 1653 CA ASN A 106 8.612 -6.473 -8.361 1.00 11.44 C ATOM 1654 C ASN A 106 7.678 -5.340 -7.906 1.00 54.04 C ATOM 1655 O ASN A 106 6.581 -5.588 -7.395 1.00 30.10 O ATOM 1656 CB ASN A 106 7.794 -7.619 -8.974 1.00 72.52 C ATOM 1657 CG ASN A 106 8.669 -8.745 -9.494 1.00 70.54 C ATOM 1658 OD1 ASN A 106 9.144 -8.711 -10.625 1.00 62.33 O ATOM 1659 ND2 ASN A 106 8.874 -9.762 -8.680 1.00 21.21 N ATOM 0 H ASN A 106 8.894 -7.455 -6.525 1.00 63.42 H new ATOM 0 HA ASN A 106 9.287 -6.073 -9.118 1.00 11.44 H new ATOM 0 HB2 ASN A 106 7.108 -8.013 -8.224 1.00 72.52 H new ATOM 0 HB3 ASN A 106 7.185 -7.230 -9.790 1.00 72.52 H new ATOM 0 HD21 ASN A 106 9.442 -10.552 -8.984 1.00 21.21 H new ATOM 0 HD22 ASN A 106 8.464 -9.758 -7.746 1.00 21.21 H new ATOM 1666 N PHE A 107 8.122 -4.098 -8.082 1.00 74.22 N ATOM 1667 CA PHE A 107 7.322 -2.934 -7.697 1.00 12.33 C ATOM 1668 C PHE A 107 6.178 -2.696 -8.693 1.00 25.24 C ATOM 1669 O PHE A 107 5.170 -2.079 -8.356 1.00 32.04 O ATOM 1670 CB PHE A 107 8.208 -1.683 -7.597 1.00 21.15 C ATOM 1671 CG PHE A 107 7.487 -0.469 -7.056 1.00 65.22 C ATOM 1672 CD1 PHE A 107 7.241 -0.344 -5.696 1.00 31.32 C ATOM 1673 CD2 PHE A 107 7.054 0.541 -7.905 1.00 31.55 C ATOM 1674 CE1 PHE A 107 6.579 0.761 -5.195 1.00 64.12 C ATOM 1675 CE2 PHE A 107 6.392 1.647 -7.407 1.00 74.44 C ATOM 1676 CZ PHE A 107 6.155 1.756 -6.053 1.00 41.54 C ATOM 0 H PHE A 107 9.030 -3.870 -8.488 1.00 74.22 H new ATOM 0 HA PHE A 107 6.885 -3.135 -6.719 1.00 12.33 H new ATOM 0 HB2 PHE A 107 9.061 -1.903 -6.956 1.00 21.15 H new ATOM 0 HB3 PHE A 107 8.604 -1.449 -8.585 1.00 21.15 H new ATOM 0 HD1 PHE A 107 7.571 -1.120 -5.021 1.00 31.32 H new ATOM 0 HD2 PHE A 107 7.237 0.461 -8.966 1.00 31.55 H new ATOM 0 HE1 PHE A 107 6.394 0.846 -4.134 1.00 64.12 H new ATOM 0 HE2 PHE A 107 6.060 2.426 -8.078 1.00 74.44 H new ATOM 0 HZ PHE A 107 5.637 2.620 -5.664 1.00 41.54 H new ATOM 1686 N ASN A 108 6.334 -3.197 -9.918 1.00 34.40 N ATOM 1687 CA ASN A 108 5.302 -3.060 -10.955 1.00 20.13 C ATOM 1688 C ASN A 108 3.952 -3.643 -10.488 1.00 11.20 C ATOM 1689 O ASN A 108 2.901 -3.032 -10.684 1.00 21.21 O ATOM 1690 CB ASN A 108 5.754 -3.746 -12.255 1.00 55.13 C ATOM 1691 CG ASN A 108 6.035 -5.227 -12.064 1.00 21.34 C ATOM 1692 OD1 ASN A 108 6.439 -5.659 -10.992 1.00 72.13 O ATOM 1693 ND2 ASN A 108 5.810 -6.019 -13.092 1.00 10.43 N ATOM 0 H ASN A 108 7.166 -3.703 -10.221 1.00 34.40 H new ATOM 0 HA ASN A 108 5.161 -1.996 -11.144 1.00 20.13 H new ATOM 0 HB2 ASN A 108 4.983 -3.621 -13.015 1.00 55.13 H new ATOM 0 HB3 ASN A 108 6.652 -3.254 -12.628 1.00 55.13 H new ATOM 0 HD21 ASN A 108 5.972 -7.022 -13.008 1.00 10.43 H new ATOM 0 HD22 ASN A 108 5.473 -5.629 -13.972 1.00 10.43 H new ATOM 1700 N LYS A 109 3.991 -4.821 -9.861 1.00 43.24 N ATOM 1701 CA LYS A 109 2.775 -5.459 -9.339 1.00 2.13 C ATOM 1702 C LYS A 109 2.180 -4.651 -8.175 1.00 64.55 C ATOM 1703 O LYS A 109 0.965 -4.476 -8.085 1.00 35.22 O ATOM 1704 CB LYS A 109 3.069 -6.896 -8.878 1.00 23.54 C ATOM 1705 CG LYS A 109 3.624 -7.805 -9.974 1.00 42.23 C ATOM 1706 CD LYS A 109 3.640 -9.275 -9.546 1.00 75.02 C ATOM 1707 CE LYS A 109 4.451 -9.502 -8.274 1.00 35.14 C ATOM 1708 NZ LYS A 109 4.438 -10.929 -7.851 1.00 12.33 N ATOM 0 H LYS A 109 4.847 -5.353 -9.702 1.00 43.24 H new ATOM 0 HA LYS A 109 2.046 -5.488 -10.149 1.00 2.13 H new ATOM 0 HB2 LYS A 109 3.782 -6.862 -8.054 1.00 23.54 H new ATOM 0 HB3 LYS A 109 2.151 -7.335 -8.488 1.00 23.54 H new ATOM 0 HG2 LYS A 109 3.021 -7.696 -10.875 1.00 42.23 H new ATOM 0 HG3 LYS A 109 4.636 -7.490 -10.228 1.00 42.23 H new ATOM 0 HD2 LYS A 109 2.617 -9.615 -9.387 1.00 75.02 H new ATOM 0 HD3 LYS A 109 4.056 -9.881 -10.351 1.00 75.02 H new ATOM 0 HE2 LYS A 109 5.480 -9.182 -8.438 1.00 35.14 H new ATOM 0 HE3 LYS A 109 4.049 -8.883 -7.472 1.00 35.14 H new ATOM 0 HZ1 LYS A 109 4.626 -10.990 -6.830 1.00 12.33 H new ATOM 0 HZ2 LYS A 109 3.507 -11.344 -8.057 1.00 12.33 H new ATOM 0 HZ3 LYS A 109 5.172 -11.452 -8.370 1.00 12.33 H new ATOM 1722 N VAL A 110 3.047 -4.165 -7.287 1.00 55.21 N ATOM 1723 CA VAL A 110 2.614 -3.341 -6.153 1.00 14.32 C ATOM 1724 C VAL A 110 1.943 -2.045 -6.637 1.00 21.13 C ATOM 1725 O VAL A 110 0.821 -1.724 -6.243 1.00 54.33 O ATOM 1726 CB VAL A 110 3.804 -2.978 -5.227 1.00 52.01 C ATOM 1727 CG1 VAL A 110 3.327 -2.182 -4.010 1.00 51.12 C ATOM 1728 CG2 VAL A 110 4.561 -4.236 -4.798 1.00 73.24 C ATOM 0 H VAL A 110 4.053 -4.326 -7.329 1.00 55.21 H new ATOM 0 HA VAL A 110 1.894 -3.934 -5.589 1.00 14.32 H new ATOM 0 HB VAL A 110 4.491 -2.347 -5.790 1.00 52.01 H new ATOM 0 HG11 VAL A 110 4.180 -1.940 -3.376 1.00 51.12 H new ATOM 0 HG12 VAL A 110 2.849 -1.261 -4.342 1.00 51.12 H new ATOM 0 HG13 VAL A 110 2.612 -2.778 -3.443 1.00 51.12 H new ATOM 0 HG21 VAL A 110 5.391 -3.957 -4.149 1.00 73.24 H new ATOM 0 HG22 VAL A 110 3.886 -4.901 -4.259 1.00 73.24 H new ATOM 0 HG23 VAL A 110 4.946 -4.748 -5.680 1.00 73.24 H new ATOM 1738 N LEU A 111 2.645 -1.315 -7.500 1.00 54.04 N ATOM 1739 CA LEU A 111 2.130 -0.069 -8.070 1.00 43.31 C ATOM 1740 C LEU A 111 0.823 -0.317 -8.836 1.00 2.31 C ATOM 1741 O LEU A 111 -0.131 0.446 -8.713 1.00 22.25 O ATOM 1742 CB LEU A 111 3.179 0.558 -9.004 1.00 1.23 C ATOM 1743 CG LEU A 111 2.865 1.985 -9.489 1.00 54.20 C ATOM 1744 CD1 LEU A 111 2.765 2.950 -8.310 1.00 12.31 C ATOM 1745 CD2 LEU A 111 3.919 2.460 -10.490 1.00 71.33 C ATOM 0 H LEU A 111 3.579 -1.566 -7.823 1.00 54.04 H new ATOM 0 HA LEU A 111 1.922 0.621 -7.252 1.00 43.31 H new ATOM 0 HB2 LEU A 111 4.139 0.571 -8.487 1.00 1.23 H new ATOM 0 HB3 LEU A 111 3.295 -0.086 -9.876 1.00 1.23 H new ATOM 0 HG LEU A 111 1.899 1.967 -9.994 1.00 54.20 H new ATOM 0 HD11 LEU A 111 2.543 3.952 -8.678 1.00 12.31 H new ATOM 0 HD12 LEU A 111 1.969 2.624 -7.640 1.00 12.31 H new ATOM 0 HD13 LEU A 111 3.712 2.964 -7.770 1.00 12.31 H new ATOM 0 HD21 LEU A 111 3.678 3.471 -10.820 1.00 71.33 H new ATOM 0 HD22 LEU A 111 4.900 2.458 -10.014 1.00 71.33 H new ATOM 0 HD23 LEU A 111 3.932 1.791 -11.350 1.00 71.33 H new ATOM 1757 N SER A 112 0.786 -1.398 -9.619 1.00 15.04 N ATOM 1758 CA SER A 112 -0.430 -1.786 -10.351 1.00 35.42 C ATOM 1759 C SER A 112 -1.609 -1.997 -9.392 1.00 10.43 C ATOM 1760 O SER A 112 -2.733 -1.581 -9.673 1.00 70.13 O ATOM 1761 CB SER A 112 -0.196 -3.072 -11.159 1.00 54.30 C ATOM 1762 OG SER A 112 -1.369 -3.463 -11.862 1.00 53.44 O ATOM 0 H SER A 112 1.580 -2.021 -9.765 1.00 15.04 H new ATOM 0 HA SER A 112 -0.671 -0.972 -11.035 1.00 35.42 H new ATOM 0 HB2 SER A 112 0.619 -2.916 -11.866 1.00 54.30 H new ATOM 0 HB3 SER A 112 0.113 -3.874 -10.488 1.00 54.30 H new ATOM 0 HG SER A 112 -1.383 -4.438 -11.959 1.00 53.44 H new ATOM 1768 N SER A 113 -1.343 -2.650 -8.260 1.00 33.33 N ATOM 1769 CA SER A 113 -2.364 -2.859 -7.221 1.00 51.44 C ATOM 1770 C SER A 113 -2.872 -1.522 -6.667 1.00 61.43 C ATOM 1771 O SER A 113 -4.075 -1.321 -6.508 1.00 35.42 O ATOM 1772 CB SER A 113 -1.801 -3.713 -6.075 1.00 53.32 C ATOM 1773 OG SER A 113 -2.740 -3.857 -5.018 1.00 63.43 O ATOM 0 H SER A 113 -0.430 -3.045 -8.035 1.00 33.33 H new ATOM 0 HA SER A 113 -3.201 -3.384 -7.681 1.00 51.44 H new ATOM 0 HB2 SER A 113 -1.527 -4.697 -6.455 1.00 53.32 H new ATOM 0 HB3 SER A 113 -0.890 -3.254 -5.692 1.00 53.32 H new ATOM 0 HG SER A 113 -2.350 -4.407 -4.307 1.00 63.43 H new ATOM 1779 N LEU A 114 -1.946 -0.605 -6.390 1.00 64.43 N ATOM 1780 CA LEU A 114 -2.296 0.729 -5.886 1.00 53.22 C ATOM 1781 C LEU A 114 -3.126 1.517 -6.915 1.00 42.21 C ATOM 1782 O LEU A 114 -4.169 2.086 -6.586 1.00 40.32 O ATOM 1783 CB LEU A 114 -1.023 1.511 -5.532 1.00 32.30 C ATOM 1784 CG LEU A 114 -0.122 0.854 -4.471 1.00 30.41 C ATOM 1785 CD1 LEU A 114 1.152 1.667 -4.262 1.00 34.33 C ATOM 1786 CD2 LEU A 114 -0.876 0.679 -3.152 1.00 63.21 C ATOM 0 H LEU A 114 -0.944 -0.759 -6.505 1.00 64.43 H new ATOM 0 HA LEU A 114 -2.902 0.600 -4.989 1.00 53.22 H new ATOM 0 HB2 LEU A 114 -0.440 1.655 -6.442 1.00 32.30 H new ATOM 0 HB3 LEU A 114 -1.311 2.501 -5.178 1.00 32.30 H new ATOM 0 HG LEU A 114 0.162 -0.134 -4.833 1.00 30.41 H new ATOM 0 HD11 LEU A 114 1.773 1.183 -3.508 1.00 34.33 H new ATOM 0 HD12 LEU A 114 1.703 1.728 -5.201 1.00 34.33 H new ATOM 0 HD13 LEU A 114 0.892 2.671 -3.928 1.00 34.33 H new ATOM 0 HD21 LEU A 114 -0.220 0.213 -2.417 1.00 63.21 H new ATOM 0 HD22 LEU A 114 -1.198 1.654 -2.785 1.00 63.21 H new ATOM 0 HD23 LEU A 114 -1.748 0.046 -3.313 1.00 63.21 H new ATOM 1798 N VAL A 115 -2.655 1.541 -8.162 1.00 61.51 N ATOM 1799 CA VAL A 115 -3.368 2.221 -9.247 1.00 12.44 C ATOM 1800 C VAL A 115 -4.763 1.617 -9.456 1.00 23.35 C ATOM 1801 O VAL A 115 -5.743 2.341 -9.616 1.00 31.41 O ATOM 1802 CB VAL A 115 -2.570 2.167 -10.579 1.00 43.32 C ATOM 1803 CG1 VAL A 115 -3.352 2.819 -11.720 1.00 22.35 C ATOM 1804 CG2 VAL A 115 -1.202 2.834 -10.415 1.00 60.15 C ATOM 0 H VAL A 115 -1.782 1.097 -8.447 1.00 61.51 H new ATOM 0 HA VAL A 115 -3.474 3.265 -8.951 1.00 12.44 H new ATOM 0 HB VAL A 115 -2.416 1.118 -10.834 1.00 43.32 H new ATOM 0 HG11 VAL A 115 -2.768 2.766 -12.639 1.00 22.35 H new ATOM 0 HG12 VAL A 115 -4.297 2.294 -11.860 1.00 22.35 H new ATOM 0 HG13 VAL A 115 -3.550 3.863 -11.476 1.00 22.35 H new ATOM 0 HG21 VAL A 115 -0.658 2.786 -11.359 1.00 60.15 H new ATOM 0 HG22 VAL A 115 -1.338 3.876 -10.127 1.00 60.15 H new ATOM 0 HG23 VAL A 115 -0.634 2.315 -9.642 1.00 60.15 H new ATOM 1814 N THR A 116 -4.852 0.287 -9.438 1.00 53.15 N ATOM 1815 CA THR A 116 -6.146 -0.399 -9.563 1.00 53.12 C ATOM 1816 C THR A 116 -7.058 -0.073 -8.376 1.00 32.35 C ATOM 1817 O THR A 116 -8.247 0.184 -8.550 1.00 65.40 O ATOM 1818 CB THR A 116 -5.986 -1.935 -9.666 1.00 33.24 C ATOM 1819 OG1 THR A 116 -5.205 -2.270 -10.823 1.00 52.14 O ATOM 1820 CG2 THR A 116 -7.346 -2.628 -9.751 1.00 1.42 C ATOM 0 H THR A 116 -4.051 -0.337 -9.339 1.00 53.15 H new ATOM 0 HA THR A 116 -6.598 -0.035 -10.486 1.00 53.12 H new ATOM 0 HB THR A 116 -5.478 -2.281 -8.766 1.00 33.24 H new ATOM 0 HG1 THR A 116 -4.258 -2.098 -10.639 1.00 52.14 H new ATOM 0 HG21 THR A 116 -7.201 -3.706 -9.822 1.00 1.42 H new ATOM 0 HG22 THR A 116 -7.928 -2.398 -8.858 1.00 1.42 H new ATOM 0 HG23 THR A 116 -7.880 -2.274 -10.633 1.00 1.42 H new ATOM 1828 N LEU A 117 -6.487 -0.075 -7.173 1.00 0.10 N ATOM 1829 CA LEU A 117 -7.221 0.292 -5.955 1.00 4.42 C ATOM 1830 C LEU A 117 -7.818 1.702 -6.087 1.00 14.34 C ATOM 1831 O LEU A 117 -8.934 1.970 -5.632 1.00 72.43 O ATOM 1832 CB LEU A 117 -6.283 0.212 -4.739 1.00 72.53 C ATOM 1833 CG LEU A 117 -6.933 0.494 -3.372 1.00 1.43 C ATOM 1834 CD1 LEU A 117 -8.075 -0.478 -3.099 1.00 3.51 C ATOM 1835 CD2 LEU A 117 -5.895 0.425 -2.253 1.00 33.41 C ATOM 0 H LEU A 117 -5.512 -0.328 -7.011 1.00 0.10 H new ATOM 0 HA LEU A 117 -8.043 -0.410 -5.813 1.00 4.42 H new ATOM 0 HB2 LEU A 117 -5.839 -0.783 -4.711 1.00 72.53 H new ATOM 0 HB3 LEU A 117 -5.468 0.920 -4.886 1.00 72.53 H new ATOM 0 HG LEU A 117 -7.344 1.503 -3.400 1.00 1.43 H new ATOM 0 HD11 LEU A 117 -8.517 -0.257 -2.127 1.00 3.51 H new ATOM 0 HD12 LEU A 117 -8.834 -0.375 -3.875 1.00 3.51 H new ATOM 0 HD13 LEU A 117 -7.692 -1.499 -3.100 1.00 3.51 H new ATOM 0 HD21 LEU A 117 -6.377 0.628 -1.297 1.00 33.41 H new ATOM 0 HD22 LEU A 117 -5.449 -0.569 -2.231 1.00 33.41 H new ATOM 0 HD23 LEU A 117 -5.117 1.168 -2.432 1.00 33.41 H new ATOM 1847 N ASN A 118 -7.068 2.594 -6.726 1.00 75.10 N ATOM 1848 CA ASN A 118 -7.560 3.937 -7.045 1.00 11.50 C ATOM 1849 C ASN A 118 -8.636 3.891 -8.145 1.00 2.30 C ATOM 1850 O ASN A 118 -9.686 4.519 -8.023 1.00 11.31 O ATOM 1851 CB ASN A 118 -6.395 4.837 -7.481 1.00 62.34 C ATOM 1852 CG ASN A 118 -6.861 6.200 -7.963 1.00 40.50 C ATOM 1853 OD1 ASN A 118 -7.077 6.412 -9.151 1.00 43.51 O ATOM 1854 ND2 ASN A 118 -7.041 7.128 -7.050 1.00 1.34 N ATOM 0 H ASN A 118 -6.113 2.414 -7.036 1.00 75.10 H new ATOM 0 HA ASN A 118 -8.016 4.352 -6.146 1.00 11.50 H new ATOM 0 HB2 ASN A 118 -5.708 4.966 -6.645 1.00 62.34 H new ATOM 0 HB3 ASN A 118 -5.838 4.344 -8.278 1.00 62.34 H new ATOM 0 HD21 ASN A 118 -7.369 8.055 -7.322 1.00 1.34 H new ATOM 0 HD22 ASN A 118 -6.853 6.922 -6.069 1.00 1.34 H new ATOM 1861 N LYS A 119 -8.371 3.136 -9.211 1.00 12.42 N ATOM 1862 CA LYS A 119 -9.294 3.036 -10.351 1.00 21.02 C ATOM 1863 C LYS A 119 -10.671 2.492 -9.937 1.00 30.14 C ATOM 1864 O LYS A 119 -11.700 3.058 -10.304 1.00 21.33 O ATOM 1865 CB LYS A 119 -8.692 2.147 -11.451 1.00 14.15 C ATOM 1866 CG LYS A 119 -7.471 2.755 -12.138 1.00 72.00 C ATOM 1867 CD LYS A 119 -6.847 1.800 -13.156 1.00 32.01 C ATOM 1868 CE LYS A 119 -7.820 1.417 -14.265 1.00 55.02 C ATOM 1869 NZ LYS A 119 -8.255 2.594 -15.064 1.00 21.02 N ATOM 0 H LYS A 119 -7.522 2.581 -9.313 1.00 12.42 H new ATOM 0 HA LYS A 119 -9.439 4.046 -10.735 1.00 21.02 H new ATOM 0 HB2 LYS A 119 -8.412 1.187 -11.016 1.00 14.15 H new ATOM 0 HB3 LYS A 119 -9.457 1.946 -12.201 1.00 14.15 H new ATOM 0 HG2 LYS A 119 -7.760 3.679 -12.639 1.00 72.00 H new ATOM 0 HG3 LYS A 119 -6.727 3.019 -11.386 1.00 72.00 H new ATOM 0 HD2 LYS A 119 -5.965 2.267 -13.595 1.00 32.01 H new ATOM 0 HD3 LYS A 119 -6.509 0.898 -12.645 1.00 32.01 H new ATOM 0 HE2 LYS A 119 -7.348 0.688 -14.923 1.00 55.02 H new ATOM 0 HE3 LYS A 119 -8.694 0.934 -13.828 1.00 55.02 H new ATOM 0 HZ1 LYS A 119 -8.819 2.273 -15.876 1.00 21.02 H new ATOM 0 HZ2 LYS A 119 -8.831 3.224 -14.469 1.00 21.02 H new ATOM 0 HZ3 LYS A 119 -7.419 3.110 -15.406 1.00 21.02 H new ATOM 1883 N VAL A 120 -10.685 1.400 -9.176 1.00 13.21 N ATOM 1884 CA VAL A 120 -11.941 0.761 -8.763 1.00 62.02 C ATOM 1885 C VAL A 120 -12.771 1.659 -7.826 1.00 23.51 C ATOM 1886 O VAL A 120 -13.977 1.813 -8.013 1.00 63.13 O ATOM 1887 CB VAL A 120 -11.695 -0.619 -8.093 1.00 74.20 C ATOM 1888 CG1 VAL A 120 -11.091 -1.602 -9.094 1.00 44.24 C ATOM 1889 CG2 VAL A 120 -10.797 -0.490 -6.862 1.00 1.20 C ATOM 0 H VAL A 120 -9.844 0.937 -8.831 1.00 13.21 H new ATOM 0 HA VAL A 120 -12.514 0.604 -9.677 1.00 62.02 H new ATOM 0 HB VAL A 120 -12.660 -1.004 -7.763 1.00 74.20 H new ATOM 0 HG11 VAL A 120 -10.926 -2.563 -8.606 1.00 44.24 H new ATOM 0 HG12 VAL A 120 -11.775 -1.734 -9.933 1.00 44.24 H new ATOM 0 HG13 VAL A 120 -10.141 -1.212 -9.459 1.00 44.24 H new ATOM 0 HG21 VAL A 120 -10.645 -1.474 -6.418 1.00 1.20 H new ATOM 0 HG22 VAL A 120 -9.834 -0.072 -7.156 1.00 1.20 H new ATOM 0 HG23 VAL A 120 -11.271 0.168 -6.134 1.00 1.20 H new ATOM 1899 N THR A 121 -12.125 2.263 -6.830 1.00 62.33 N ATOM 1900 CA THR A 121 -12.823 3.156 -5.893 1.00 33.15 C ATOM 1901 C THR A 121 -13.304 4.435 -6.591 1.00 73.12 C ATOM 1902 O THR A 121 -14.436 4.881 -6.387 1.00 72.11 O ATOM 1903 CB THR A 121 -11.932 3.534 -4.684 1.00 52.43 C ATOM 1904 OG1 THR A 121 -10.705 4.129 -5.140 1.00 74.23 O ATOM 1905 CG2 THR A 121 -11.629 2.306 -3.831 1.00 15.42 C ATOM 0 H THR A 121 -11.127 2.155 -6.648 1.00 62.33 H new ATOM 0 HA THR A 121 -13.688 2.603 -5.527 1.00 33.15 H new ATOM 0 HB THR A 121 -12.473 4.256 -4.072 1.00 52.43 H new ATOM 0 HG1 THR A 121 -10.049 3.425 -5.326 1.00 74.23 H new ATOM 0 HG21 THR A 121 -11.002 2.595 -2.987 1.00 15.42 H new ATOM 0 HG22 THR A 121 -12.562 1.881 -3.461 1.00 15.42 H new ATOM 0 HG23 THR A 121 -11.106 1.564 -4.434 1.00 15.42 H new ATOM 1913 N ALA A 122 -12.443 5.015 -7.425 1.00 4.43 N ATOM 1914 CA ALA A 122 -12.812 6.190 -8.223 1.00 35.45 C ATOM 1915 C ALA A 122 -13.916 5.853 -9.237 1.00 4.35 C ATOM 1916 O ALA A 122 -14.694 6.720 -9.634 1.00 22.51 O ATOM 1917 CB ALA A 122 -11.589 6.750 -8.940 1.00 34.32 C ATOM 0 H ALA A 122 -11.486 4.693 -7.568 1.00 4.43 H new ATOM 0 HA ALA A 122 -13.201 6.947 -7.542 1.00 35.45 H new ATOM 0 HB1 ALA A 122 -11.879 7.621 -9.528 1.00 34.32 H new ATOM 0 HB2 ALA A 122 -10.838 7.041 -8.205 1.00 34.32 H new ATOM 0 HB3 ALA A 122 -11.174 5.989 -9.600 1.00 34.32 H new ATOM 1923 N ASP A 123 -13.971 4.592 -9.661 1.00 74.20 N ATOM 1924 CA ASP A 123 -15.024 4.122 -10.569 1.00 4.00 C ATOM 1925 C ASP A 123 -16.379 4.040 -9.837 1.00 21.14 C ATOM 1926 O ASP A 123 -17.420 4.393 -10.394 1.00 31.45 O ATOM 1927 CB ASP A 123 -14.632 2.756 -11.147 1.00 72.31 C ATOM 1928 CG ASP A 123 -15.571 2.284 -12.241 1.00 12.22 C ATOM 1929 OD1 ASP A 123 -15.793 3.040 -13.206 1.00 33.12 O ATOM 1930 OD2 ASP A 123 -16.079 1.147 -12.151 1.00 62.35 O ATOM 0 H ASP A 123 -13.299 3.874 -9.392 1.00 74.20 H new ATOM 0 HA ASP A 123 -15.132 4.834 -11.387 1.00 4.00 H new ATOM 0 HB2 ASP A 123 -13.619 2.813 -11.545 1.00 72.31 H new ATOM 0 HB3 ASP A 123 -14.618 2.018 -10.345 1.00 72.31 H new ATOM 1935 N ILE A 124 -16.349 3.579 -8.583 1.00 24.53 N ATOM 1936 CA ILE A 124 -17.545 3.557 -7.730 1.00 71.40 C ATOM 1937 C ILE A 124 -18.057 4.981 -7.453 1.00 71.33 C ATOM 1938 O ILE A 124 -19.267 5.229 -7.391 1.00 23.55 O ATOM 1939 CB ILE A 124 -17.254 2.856 -6.376 1.00 3.35 C ATOM 1940 CG1 ILE A 124 -16.783 1.409 -6.605 1.00 30.45 C ATOM 1941 CG2 ILE A 124 -18.490 2.885 -5.472 1.00 75.23 C ATOM 1942 CD1 ILE A 124 -16.433 0.667 -5.332 1.00 51.21 C ATOM 0 H ILE A 124 -15.509 3.215 -8.134 1.00 24.53 H new ATOM 0 HA ILE A 124 -18.310 2.998 -8.269 1.00 71.40 H new ATOM 0 HB ILE A 124 -16.454 3.402 -5.875 1.00 3.35 H new ATOM 0 HG12 ILE A 124 -17.566 0.861 -7.129 1.00 30.45 H new ATOM 0 HG13 ILE A 124 -15.911 1.421 -7.258 1.00 30.45 H new ATOM 0 HG21 ILE A 124 -18.263 2.388 -4.529 1.00 75.23 H new ATOM 0 HG22 ILE A 124 -18.775 3.919 -5.278 1.00 75.23 H new ATOM 0 HG23 ILE A 124 -19.314 2.368 -5.965 1.00 75.23 H new ATOM 0 HD11 ILE A 124 -16.110 -0.345 -5.578 1.00 51.21 H new ATOM 0 HD12 ILE A 124 -15.628 1.190 -4.816 1.00 51.21 H new ATOM 0 HD13 ILE A 124 -17.309 0.621 -4.685 1.00 51.21 H new ATOM 1954 N GLY A 125 -17.123 5.913 -7.285 1.00 51.11 N ATOM 1955 CA GLY A 125 -17.481 7.303 -7.037 1.00 20.31 C ATOM 1956 C GLY A 125 -17.177 7.750 -5.611 1.00 63.10 C ATOM 1957 O GLY A 125 -17.963 7.498 -4.694 1.00 61.33 O ATOM 0 H GLY A 125 -16.120 5.731 -7.316 1.00 51.11 H new ATOM 0 HA2 GLY A 125 -16.941 7.942 -7.735 1.00 20.31 H new ATOM 0 HA3 GLY A 125 -18.544 7.440 -7.236 1.00 20.31 H new ATOM 1961 N LEU A 126 -16.034 8.403 -5.420 1.00 42.22 N ATOM 1962 CA LEU A 126 -15.649 8.930 -4.099 1.00 15.44 C ATOM 1963 C LEU A 126 -16.034 10.419 -3.952 1.00 0.12 C ATOM 1964 O LEU A 126 -17.211 10.710 -3.656 1.00 36.71 O ATOM 1965 CB LEU A 126 -14.137 8.742 -3.876 1.00 52.20 C ATOM 1966 CG LEU A 126 -13.632 7.293 -3.958 1.00 22.43 C ATOM 1967 CD1 LEU A 126 -12.121 7.236 -3.741 1.00 2.41 C ATOM 1968 CD2 LEU A 126 -14.357 6.407 -2.944 1.00 73.10 C ATOM 1969 OXT LEU A 126 -15.157 11.296 -4.131 1.00 36.71 O ATOM 0 H LEU A 126 -15.354 8.584 -6.158 1.00 42.22 H new ATOM 0 HA LEU A 126 -16.194 8.370 -3.339 1.00 15.44 H new ATOM 0 HB2 LEU A 126 -13.601 9.338 -4.615 1.00 52.20 H new ATOM 0 HB3 LEU A 126 -13.879 9.143 -2.896 1.00 52.20 H new ATOM 0 HG LEU A 126 -13.849 6.913 -4.957 1.00 22.43 H new ATOM 0 HD11 LEU A 126 -11.783 6.201 -3.803 1.00 2.41 H new ATOM 0 HD12 LEU A 126 -11.621 7.828 -4.508 1.00 2.41 H new ATOM 0 HD13 LEU A 126 -11.879 7.638 -2.757 1.00 2.41 H new ATOM 0 HD21 LEU A 126 -13.983 5.386 -3.020 1.00 73.10 H new ATOM 0 HD22 LEU A 126 -14.178 6.785 -1.937 1.00 73.10 H new ATOM 0 HD23 LEU A 126 -15.427 6.418 -3.151 1.00 73.10 H new TER 1981 LEU A 126