USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 849 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 7 TYR OH : rot 61:sc= 2.31 USER MOD Set 1.2: A 93 ASN : amide:sc= -2.97! C(o=0.58!,f=-4.3!) USER MOD Set 1.3: A 94 SER OG : rot -51:sc= 1.23 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -172:sc= -0.193 (180deg=-0.0773) USER MOD Set 2.2: A 90 SER OG : rot -74:sc= 1.23 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -155:sc= 0.416 (180deg=-0.0813) USER MOD Set 3.2: A 52 ASN : amide:sc= 1.02 K(o=1.4,f=-11!) USER MOD Set 4.1: A 42 ASN : amide:sc= -1.87! C(o=-1.4!,f=-10!) USER MOD Set 4.2: A 62 SER OG : rot 125:sc= 0.515 USER MOD Set 5.1: A 29 GLN : amide:sc= 0.529 K(o=0.6,f=-2) USER MOD Set 5.2: A 107 ASN : amide:sc= 0.0698 K(o=0.6,f=-1.4!) USER MOD Set 6.1: A 19 ASN : amide:sc= 1.85 K(o=2.8,f=-3.5!) USER MOD Set 6.2: A 80 ASN : amide:sc= 0.987 K(o=2.8,f=-3.5) USER MOD Set 7.1: A 5 THR OG1 : rot -66:sc= 1.01 USER MOD Set 7.2: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 7.3: A 14 THR OG1 : rot 180:sc= 0.868 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.075 (180deg=-0.395) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.2 (180deg=1.15) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.18 K(o=-0.18,f=-7.8!) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.09) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.519 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 TYR OH : rot 130:sc= 0.0901 USER MOD Single : A 21 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 27 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.42 X(o=0.42,f=-0.038) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.55 USER MOD Single : A 41 SER OG : rot -53:sc= 0.427 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.391 USER MOD Single : A 47 SER OG : rot -169:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00632 X(o=-0.0063,f=-0.0063) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 58:sc= 1.27 USER MOD Single : A 64 SER OG : rot 32:sc= 0.816 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 74 MET CE :methyl -150:sc= -1.58 (180deg=-2.88!) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 2.15 (180deg=0.594) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 0.562 (180deg=-0.3) USER MOD Single : A 79 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.4!) USER MOD Single : A 82 THR OG1 : rot 72:sc= -0.0595 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 1.57 (180deg=1.29) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.018) USER MOD Single : A 97 SER OG : rot 160:sc= 0.177 USER MOD Single : A 98 SER OG : rot 86:sc= 1.23 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.193! X(o=0.19!,f=-0.11) USER MOD Single : A 113 THR OG1 : rot 9:sc= 0.639 USER MOD Single : A 114 HIS : no HE2:sc= 0.154 K(o=0.15,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.609 -20.603 0.228 1.00 61.24 N ATOM 2 CA MET A 1 -9.293 -20.602 0.892 1.00 50.11 C ATOM 3 C MET A 1 -8.562 -19.434 0.336 1.00 74.41 C ATOM 4 O MET A 1 -8.033 -19.494 -0.763 1.00 11.34 O ATOM 5 CB MET A 1 -8.532 -21.907 0.618 1.00 3.44 C ATOM 6 CG MET A 1 -7.176 -21.992 1.311 1.00 41.52 C ATOM 7 SD MET A 1 -6.337 -23.559 1.021 1.00 22.21 S ATOM 8 CE MET A 1 -6.073 -23.510 -0.754 1.00 32.50 C ATOM 0 H1 MET A 1 -11.192 -21.373 0.614 1.00 61.24 H new ATOM 0 H2 MET A 1 -11.083 -19.693 0.395 1.00 61.24 H new ATOM 0 H3 MET A 1 -10.482 -20.744 -0.794 1.00 61.24 H new ATOM 0 HA MET A 1 -9.395 -20.532 1.975 1.00 50.11 H new ATOM 0 HB2 MET A 1 -9.146 -22.748 0.940 1.00 3.44 H new ATOM 0 HB3 MET A 1 -8.386 -22.012 -0.457 1.00 3.44 H new ATOM 0 HG2 MET A 1 -6.543 -21.177 0.961 1.00 41.52 H new ATOM 0 HG3 MET A 1 -7.312 -21.852 2.383 1.00 41.52 H new ATOM 0 HE1 MET A 1 -5.330 -24.257 -1.032 1.00 32.50 H new ATOM 0 HE2 MET A 1 -7.011 -23.723 -1.267 1.00 32.50 H new ATOM 0 HE3 MET A 1 -5.718 -22.520 -1.042 1.00 32.50 H new ATOM 17 N ASP A 2 -8.598 -18.364 1.081 1.00 21.02 N ATOM 18 CA ASP A 2 -8.246 -17.060 0.578 1.00 44.41 C ATOM 19 C ASP A 2 -7.941 -16.100 1.731 1.00 13.33 C ATOM 20 O ASP A 2 -6.784 -15.739 1.945 1.00 21.05 O ATOM 21 CB ASP A 2 -9.449 -16.558 -0.279 1.00 23.33 C ATOM 22 CG ASP A 2 -10.801 -16.974 0.343 1.00 11.34 C ATOM 23 OD1 ASP A 2 -11.270 -16.293 1.257 1.00 72.34 O ATOM 24 OD2 ASP A 2 -11.316 -18.096 -0.009 1.00 14.20 O ATOM 0 H ASP A 2 -8.874 -18.370 2.063 1.00 21.02 H new ATOM 0 HA ASP A 2 -7.344 -17.109 -0.033 1.00 44.41 H new ATOM 0 HB2 ASP A 2 -9.407 -15.472 -0.367 1.00 23.33 H new ATOM 0 HB3 ASP A 2 -9.372 -16.963 -1.288 1.00 23.33 H new ATOM 29 N LYS A 3 -8.989 -15.737 2.484 1.00 14.53 N ATOM 30 CA LYS A 3 -8.942 -14.830 3.640 1.00 45.35 C ATOM 31 C LYS A 3 -8.869 -13.381 3.205 1.00 4.22 C ATOM 32 O LYS A 3 -8.705 -13.066 2.021 1.00 65.30 O ATOM 33 CB LYS A 3 -7.799 -15.134 4.637 1.00 42.12 C ATOM 34 CG LYS A 3 -7.889 -16.469 5.338 1.00 0.42 C ATOM 35 CD LYS A 3 -6.696 -16.664 6.263 1.00 52.01 C ATOM 36 CE LYS A 3 -6.776 -17.981 7.010 1.00 12.21 C ATOM 37 NZ LYS A 3 -5.606 -18.177 7.910 1.00 30.14 N ATOM 0 H LYS A 3 -9.931 -16.081 2.297 1.00 14.53 H new ATOM 0 HA LYS A 3 -9.877 -15.007 4.171 1.00 45.35 H new ATOM 0 HB2 LYS A 3 -6.851 -15.087 4.102 1.00 42.12 H new ATOM 0 HB3 LYS A 3 -7.779 -14.347 5.391 1.00 42.12 H new ATOM 0 HG2 LYS A 3 -8.815 -16.524 5.911 1.00 0.42 H new ATOM 0 HG3 LYS A 3 -7.922 -17.272 4.602 1.00 0.42 H new ATOM 0 HD2 LYS A 3 -5.775 -16.631 5.681 1.00 52.01 H new ATOM 0 HD3 LYS A 3 -6.651 -15.842 6.978 1.00 52.01 H new ATOM 0 HE2 LYS A 3 -7.695 -18.012 7.596 1.00 12.21 H new ATOM 0 HE3 LYS A 3 -6.826 -18.802 6.295 1.00 12.21 H new ATOM 0 HZ1 LYS A 3 -5.696 -19.088 8.403 1.00 30.14 H new ATOM 0 HZ2 LYS A 3 -4.731 -18.173 7.348 1.00 30.14 H new ATOM 0 HZ3 LYS A 3 -5.572 -17.407 8.608 1.00 30.14 H new ATOM 51 N GLY A 4 -9.030 -12.501 4.161 1.00 32.32 N ATOM 52 CA GLY A 4 -8.911 -11.106 3.893 1.00 43.11 C ATOM 53 C GLY A 4 -7.490 -10.654 4.077 1.00 72.50 C ATOM 54 O GLY A 4 -6.960 -9.890 3.274 1.00 54.24 O ATOM 0 H GLY A 4 -9.244 -12.735 5.130 1.00 32.32 H new ATOM 0 HA2 GLY A 4 -9.236 -10.896 2.874 1.00 43.11 H new ATOM 0 HA3 GLY A 4 -9.566 -10.545 4.559 1.00 43.11 H new ATOM 58 N THR A 5 -6.888 -11.131 5.137 1.00 2.14 N ATOM 59 CA THR A 5 -5.536 -10.813 5.481 1.00 10.12 C ATOM 60 C THR A 5 -4.630 -12.034 5.227 1.00 15.33 C ATOM 61 O THR A 5 -4.946 -13.155 5.668 1.00 4.04 O ATOM 62 CB THR A 5 -5.475 -10.408 6.965 1.00 33.05 C ATOM 63 OG1 THR A 5 -6.496 -9.422 7.220 1.00 33.12 O ATOM 64 CG2 THR A 5 -4.114 -9.822 7.325 1.00 53.23 C ATOM 0 H THR A 5 -7.339 -11.765 5.796 1.00 2.14 H new ATOM 0 HA THR A 5 -5.186 -9.985 4.865 1.00 10.12 H new ATOM 0 HB THR A 5 -5.635 -11.298 7.574 1.00 33.05 H new ATOM 0 HG1 THR A 5 -6.284 -8.598 6.733 1.00 33.12 H new ATOM 0 HG21 THR A 5 -4.104 -9.546 8.379 1.00 53.23 H new ATOM 0 HG22 THR A 5 -3.337 -10.563 7.136 1.00 53.23 H new ATOM 0 HG23 THR A 5 -3.926 -8.937 6.717 1.00 53.23 H new ATOM 72 N GLN A 6 -3.546 -11.825 4.509 1.00 64.15 N ATOM 73 CA GLN A 6 -2.581 -12.872 4.235 1.00 64.51 C ATOM 74 C GLN A 6 -1.198 -12.310 4.533 1.00 15.33 C ATOM 75 O GLN A 6 -0.919 -11.151 4.202 1.00 52.33 O ATOM 76 CB GLN A 6 -2.586 -13.257 2.743 1.00 60.31 C ATOM 77 CG GLN A 6 -3.953 -13.489 2.106 1.00 3.23 C ATOM 78 CD GLN A 6 -3.849 -13.813 0.616 1.00 22.11 C ATOM 79 OE1 GLN A 6 -4.720 -13.465 -0.172 1.00 71.02 O ATOM 80 NE2 GLN A 6 -2.803 -14.499 0.221 1.00 73.02 N ATOM 0 H GLN A 6 -3.308 -10.923 4.098 1.00 64.15 H new ATOM 0 HA GLN A 6 -2.829 -13.744 4.840 1.00 64.51 H new ATOM 0 HB2 GLN A 6 -2.079 -12.470 2.185 1.00 60.31 H new ATOM 0 HB3 GLN A 6 -1.995 -14.165 2.623 1.00 60.31 H new ATOM 0 HG2 GLN A 6 -4.457 -14.308 2.620 1.00 3.23 H new ATOM 0 HG3 GLN A 6 -4.570 -12.601 2.241 1.00 3.23 H new ATOM 0 HE21 GLN A 6 -2.091 -14.777 0.896 1.00 73.02 H new ATOM 0 HE22 GLN A 6 -2.702 -14.754 -0.761 1.00 73.02 H new ATOM 89 N TYR A 7 -0.360 -13.083 5.167 1.00 61.24 N ATOM 90 CA TYR A 7 1.014 -12.692 5.368 1.00 20.11 C ATOM 91 C TYR A 7 1.889 -13.771 4.750 1.00 22.12 C ATOM 92 O TYR A 7 1.743 -14.943 5.105 1.00 25.14 O ATOM 93 CB TYR A 7 1.338 -12.527 6.861 1.00 61.54 C ATOM 94 CG TYR A 7 2.212 -11.322 7.143 1.00 3.21 C ATOM 95 CD1 TYR A 7 3.412 -11.126 6.471 1.00 63.23 C ATOM 96 CD2 TYR A 7 1.806 -10.352 8.045 1.00 42.32 C ATOM 97 CE1 TYR A 7 4.182 -10.006 6.697 1.00 10.24 C ATOM 98 CE2 TYR A 7 2.568 -9.223 8.270 1.00 70.43 C ATOM 99 CZ TYR A 7 3.753 -9.058 7.596 1.00 52.15 C ATOM 100 OH TYR A 7 4.495 -7.923 7.795 1.00 1.54 O ATOM 0 H TYR A 7 -0.604 -13.994 5.557 1.00 61.24 H new ATOM 0 HA TYR A 7 1.198 -11.726 4.897 1.00 20.11 H new ATOM 0 HB2 TYR A 7 0.408 -12.435 7.422 1.00 61.54 H new ATOM 0 HB3 TYR A 7 1.839 -13.426 7.221 1.00 61.54 H new ATOM 0 HD1 TYR A 7 3.747 -11.865 5.758 1.00 63.23 H new ATOM 0 HD2 TYR A 7 0.878 -10.481 8.581 1.00 42.32 H new ATOM 0 HE1 TYR A 7 5.116 -9.874 6.172 1.00 10.24 H new ATOM 0 HE2 TYR A 7 2.234 -8.474 8.972 1.00 70.43 H new ATOM 0 HH TYR A 7 4.557 -7.421 6.956 1.00 1.54 H new ATOM 110 N LYS A 8 2.757 -13.422 3.829 1.00 53.52 N ATOM 111 CA LYS A 8 3.601 -14.426 3.209 1.00 24.20 C ATOM 112 C LYS A 8 4.912 -13.819 2.739 1.00 1.35 C ATOM 113 O LYS A 8 4.912 -12.892 1.956 1.00 44.22 O ATOM 114 CB LYS A 8 2.863 -15.101 2.028 1.00 63.25 C ATOM 115 CG LYS A 8 3.596 -16.288 1.381 1.00 4.21 C ATOM 116 CD LYS A 8 3.817 -17.436 2.372 1.00 11.33 C ATOM 117 CE LYS A 8 4.436 -18.672 1.702 1.00 41.30 C ATOM 118 NZ LYS A 8 5.784 -18.420 1.142 1.00 44.51 N ATOM 0 H LYS A 8 2.899 -12.469 3.495 1.00 53.52 H new ATOM 0 HA LYS A 8 3.828 -15.186 3.957 1.00 24.20 H new ATOM 0 HB2 LYS A 8 1.890 -15.445 2.379 1.00 63.25 H new ATOM 0 HB3 LYS A 8 2.677 -14.349 1.261 1.00 63.25 H new ATOM 0 HG2 LYS A 8 3.019 -16.650 0.530 1.00 4.21 H new ATOM 0 HG3 LYS A 8 4.558 -15.953 0.994 1.00 4.21 H new ATOM 0 HD2 LYS A 8 4.468 -17.097 3.178 1.00 11.33 H new ATOM 0 HD3 LYS A 8 2.865 -17.710 2.826 1.00 11.33 H new ATOM 0 HE2 LYS A 8 4.498 -19.480 2.431 1.00 41.30 H new ATOM 0 HE3 LYS A 8 3.776 -19.013 0.904 1.00 41.30 H new ATOM 0 HZ1 LYS A 8 6.154 -19.296 0.720 1.00 44.51 H new ATOM 0 HZ2 LYS A 8 5.724 -17.682 0.412 1.00 44.51 H new ATOM 0 HZ3 LYS A 8 6.422 -18.106 1.901 1.00 44.51 H new ATOM 132 N ASP A 9 6.012 -14.339 3.281 1.00 61.14 N ATOM 133 CA ASP A 9 7.409 -13.987 2.883 1.00 71.24 C ATOM 134 C ASP A 9 7.669 -12.490 2.987 1.00 41.14 C ATOM 135 O ASP A 9 8.404 -11.909 2.196 1.00 75.54 O ATOM 136 CB ASP A 9 7.704 -14.461 1.442 1.00 61.33 C ATOM 137 CG ASP A 9 7.332 -15.903 1.208 1.00 14.55 C ATOM 138 OD1 ASP A 9 7.633 -16.781 2.066 1.00 64.32 O ATOM 139 OD2 ASP A 9 6.668 -16.208 0.190 1.00 53.05 O ATOM 0 H ASP A 9 5.976 -15.034 4.027 1.00 61.14 H new ATOM 0 HA ASP A 9 8.075 -14.499 3.578 1.00 71.24 H new ATOM 0 HB2 ASP A 9 7.157 -13.832 0.740 1.00 61.33 H new ATOM 0 HB3 ASP A 9 8.765 -14.326 1.231 1.00 61.33 H new ATOM 144 N GLY A 10 7.110 -11.872 4.001 1.00 73.52 N ATOM 145 CA GLY A 10 7.286 -10.467 4.173 1.00 20.13 C ATOM 146 C GLY A 10 6.142 -9.674 3.587 1.00 34.20 C ATOM 147 O GLY A 10 5.857 -8.605 4.060 1.00 61.11 O ATOM 0 H GLY A 10 6.534 -12.325 4.711 1.00 73.52 H new ATOM 0 HA2 GLY A 10 7.376 -10.241 5.235 1.00 20.13 H new ATOM 0 HA3 GLY A 10 8.219 -10.159 3.701 1.00 20.13 H new ATOM 151 N TYR A 11 5.501 -10.213 2.565 1.00 3.13 N ATOM 152 CA TYR A 11 4.363 -9.564 1.897 1.00 15.50 C ATOM 153 C TYR A 11 3.132 -9.568 2.780 1.00 33.34 C ATOM 154 O TYR A 11 2.825 -10.568 3.438 1.00 3.22 O ATOM 155 CB TYR A 11 4.001 -10.241 0.563 1.00 63.30 C ATOM 156 CG TYR A 11 4.981 -10.045 -0.566 1.00 52.22 C ATOM 157 CD1 TYR A 11 4.896 -8.927 -1.381 1.00 32.23 C ATOM 158 CD2 TYR A 11 5.967 -10.983 -0.842 1.00 25.13 C ATOM 159 CE1 TYR A 11 5.760 -8.740 -2.433 1.00 32.31 C ATOM 160 CE2 TYR A 11 6.844 -10.802 -1.897 1.00 45.42 C ATOM 161 CZ TYR A 11 6.731 -9.675 -2.691 1.00 1.11 C ATOM 162 OH TYR A 11 7.603 -9.476 -3.738 1.00 1.40 O ATOM 0 H TYR A 11 5.749 -11.118 2.165 1.00 3.13 H new ATOM 0 HA TYR A 11 4.680 -8.540 1.700 1.00 15.50 H new ATOM 0 HB2 TYR A 11 3.890 -11.311 0.740 1.00 63.30 H new ATOM 0 HB3 TYR A 11 3.028 -9.869 0.242 1.00 63.30 H new ATOM 0 HD1 TYR A 11 4.134 -8.187 -1.185 1.00 32.23 H new ATOM 0 HD2 TYR A 11 6.051 -11.866 -0.225 1.00 25.13 H new ATOM 0 HE1 TYR A 11 5.675 -7.861 -3.054 1.00 32.31 H new ATOM 0 HE2 TYR A 11 7.611 -11.535 -2.099 1.00 45.42 H new ATOM 0 HH TYR A 11 8.231 -10.227 -3.788 1.00 1.40 H new ATOM 172 N TYR A 12 2.435 -8.463 2.780 1.00 63.00 N ATOM 173 CA TYR A 12 1.242 -8.302 3.572 1.00 62.23 C ATOM 174 C TYR A 12 0.093 -7.993 2.655 1.00 30.11 C ATOM 175 O TYR A 12 0.199 -7.110 1.798 1.00 64.41 O ATOM 176 CB TYR A 12 1.412 -7.174 4.604 1.00 53.12 C ATOM 177 CG TYR A 12 0.200 -6.939 5.486 1.00 24.03 C ATOM 178 CD1 TYR A 12 -0.058 -7.750 6.578 1.00 60.54 C ATOM 179 CD2 TYR A 12 -0.675 -5.894 5.230 1.00 64.33 C ATOM 180 CE1 TYR A 12 -1.153 -7.531 7.388 1.00 10.41 C ATOM 181 CE2 TYR A 12 -1.766 -5.668 6.032 1.00 75.22 C ATOM 182 CZ TYR A 12 -2.004 -6.486 7.111 1.00 43.10 C ATOM 183 OH TYR A 12 -3.105 -6.260 7.912 1.00 45.22 O ATOM 0 H TYR A 12 2.680 -7.642 2.226 1.00 63.00 H new ATOM 0 HA TYR A 12 1.048 -9.225 4.118 1.00 62.23 H new ATOM 0 HB2 TYR A 12 2.268 -7.405 5.238 1.00 53.12 H new ATOM 0 HB3 TYR A 12 1.647 -6.249 4.077 1.00 53.12 H new ATOM 0 HD1 TYR A 12 0.610 -8.569 6.800 1.00 60.54 H new ATOM 0 HD2 TYR A 12 -0.495 -5.246 4.385 1.00 64.33 H new ATOM 0 HE1 TYR A 12 -1.341 -8.176 8.234 1.00 10.41 H new ATOM 0 HE2 TYR A 12 -2.436 -4.849 5.816 1.00 75.22 H new ATOM 0 HH TYR A 12 -3.599 -5.483 7.577 1.00 45.22 H new ATOM 193 N ILE A 13 -0.962 -8.719 2.799 1.00 33.52 N ATOM 194 CA ILE A 13 -2.156 -8.504 2.038 1.00 20.14 C ATOM 195 C ILE A 13 -3.309 -8.397 3.020 1.00 1.31 C ATOM 196 O ILE A 13 -3.364 -9.163 3.969 1.00 53.43 O ATOM 197 CB ILE A 13 -2.415 -9.693 1.053 1.00 42.01 C ATOM 198 CG1 ILE A 13 -1.225 -9.872 0.088 1.00 24.51 C ATOM 199 CG2 ILE A 13 -3.711 -9.489 0.272 1.00 12.41 C ATOM 200 CD1 ILE A 13 -1.353 -11.055 -0.852 1.00 52.54 C ATOM 0 H ILE A 13 -1.026 -9.494 3.459 1.00 33.52 H new ATOM 0 HA ILE A 13 -2.057 -7.596 1.444 1.00 20.14 H new ATOM 0 HB ILE A 13 -2.518 -10.601 1.647 1.00 42.01 H new ATOM 0 HG12 ILE A 13 -1.113 -8.964 -0.504 1.00 24.51 H new ATOM 0 HG13 ILE A 13 -0.312 -9.986 0.673 1.00 24.51 H new ATOM 0 HG21 ILE A 13 -3.865 -10.330 -0.404 1.00 12.41 H new ATOM 0 HG22 ILE A 13 -4.548 -9.424 0.967 1.00 12.41 H new ATOM 0 HG23 ILE A 13 -3.647 -8.567 -0.305 1.00 12.41 H new ATOM 0 HD11 ILE A 13 -0.474 -11.106 -1.494 1.00 52.54 H new ATOM 0 HD12 ILE A 13 -1.432 -11.974 -0.271 1.00 52.54 H new ATOM 0 HD13 ILE A 13 -2.245 -10.936 -1.467 1.00 52.54 H new ATOM 212 N THR A 14 -4.172 -7.439 2.839 1.00 1.04 N ATOM 213 CA THR A 14 -5.341 -7.322 3.669 1.00 20.35 C ATOM 214 C THR A 14 -6.439 -6.639 2.860 1.00 21.05 C ATOM 215 O THR A 14 -6.185 -6.179 1.731 1.00 60.12 O ATOM 216 CB THR A 14 -5.073 -6.616 5.057 1.00 64.24 C ATOM 217 OG1 THR A 14 -6.131 -6.923 5.977 1.00 61.20 O ATOM 218 CG2 THR A 14 -4.975 -5.095 4.934 1.00 51.23 C ATOM 0 H THR A 14 -4.089 -6.721 2.119 1.00 1.04 H new ATOM 0 HA THR A 14 -5.664 -8.324 3.951 1.00 20.35 H new ATOM 0 HB THR A 14 -4.117 -6.995 5.418 1.00 64.24 H new ATOM 0 HG1 THR A 14 -5.956 -6.483 6.835 1.00 61.20 H new ATOM 0 HG21 THR A 14 -4.790 -4.662 5.917 1.00 51.23 H new ATOM 0 HG22 THR A 14 -4.155 -4.836 4.264 1.00 51.23 H new ATOM 0 HG23 THR A 14 -5.909 -4.701 4.534 1.00 51.23 H new ATOM 226 N THR A 15 -7.633 -6.614 3.376 1.00 63.23 N ATOM 227 CA THR A 15 -8.737 -6.059 2.656 1.00 50.22 C ATOM 228 C THR A 15 -9.369 -4.924 3.443 1.00 70.10 C ATOM 229 O THR A 15 -9.629 -5.052 4.634 1.00 51.34 O ATOM 230 CB THR A 15 -9.781 -7.152 2.377 1.00 64.53 C ATOM 231 OG1 THR A 15 -9.102 -8.280 1.807 1.00 64.14 O ATOM 232 CG2 THR A 15 -10.843 -6.667 1.392 1.00 35.15 C ATOM 0 H THR A 15 -7.866 -6.975 4.301 1.00 63.23 H new ATOM 0 HA THR A 15 -8.372 -5.662 1.709 1.00 50.22 H new ATOM 0 HB THR A 15 -10.277 -7.415 3.311 1.00 64.53 H new ATOM 0 HG1 THR A 15 -8.580 -8.733 2.502 1.00 64.14 H new ATOM 0 HG21 THR A 15 -11.566 -7.463 1.216 1.00 35.15 H new ATOM 0 HG22 THR A 15 -11.354 -5.798 1.806 1.00 35.15 H new ATOM 0 HG23 THR A 15 -10.368 -6.393 0.450 1.00 35.15 H new ATOM 240 N LEU A 16 -9.571 -3.820 2.784 1.00 31.41 N ATOM 241 CA LEU A 16 -10.246 -2.708 3.369 1.00 54.34 C ATOM 242 C LEU A 16 -11.609 -2.646 2.750 1.00 3.53 C ATOM 243 O LEU A 16 -11.730 -2.557 1.527 1.00 73.01 O ATOM 244 CB LEU A 16 -9.505 -1.365 3.111 1.00 33.31 C ATOM 245 CG LEU A 16 -8.147 -1.128 3.816 1.00 2.02 C ATOM 246 CD1 LEU A 16 -8.263 -1.313 5.321 1.00 71.25 C ATOM 247 CD2 LEU A 16 -7.031 -1.986 3.229 1.00 22.41 C ATOM 0 H LEU A 16 -9.269 -3.669 1.821 1.00 31.41 H new ATOM 0 HA LEU A 16 -10.290 -2.845 4.450 1.00 54.34 H new ATOM 0 HB2 LEU A 16 -9.342 -1.277 2.037 1.00 33.31 H new ATOM 0 HB3 LEU A 16 -10.175 -0.555 3.399 1.00 33.31 H new ATOM 0 HG LEU A 16 -7.872 -0.090 3.631 1.00 2.02 H new ATOM 0 HD11 LEU A 16 -7.292 -1.139 5.785 1.00 71.25 H new ATOM 0 HD12 LEU A 16 -8.988 -0.603 5.720 1.00 71.25 H new ATOM 0 HD13 LEU A 16 -8.592 -2.329 5.538 1.00 71.25 H new ATOM 0 HD21 LEU A 16 -6.100 -1.783 3.757 1.00 22.41 H new ATOM 0 HD22 LEU A 16 -7.287 -3.040 3.337 1.00 22.41 H new ATOM 0 HD23 LEU A 16 -6.908 -1.749 2.172 1.00 22.41 H new ATOM 259 N ASN A 17 -12.623 -2.706 3.558 1.00 14.50 N ATOM 260 CA ASN A 17 -13.991 -2.644 3.061 1.00 20.01 C ATOM 261 C ASN A 17 -14.413 -1.211 2.872 1.00 1.31 C ATOM 262 O ASN A 17 -15.265 -0.696 3.593 1.00 74.24 O ATOM 263 CB ASN A 17 -14.983 -3.384 3.979 1.00 22.35 C ATOM 264 CG ASN A 17 -14.838 -4.900 3.960 1.00 44.43 C ATOM 265 OD1 ASN A 17 -13.761 -5.441 3.751 1.00 22.44 O ATOM 266 ND2 ASN A 17 -15.929 -5.594 4.182 1.00 52.03 N ATOM 0 H ASN A 17 -12.543 -2.798 4.571 1.00 14.50 H new ATOM 0 HA ASN A 17 -14.009 -3.153 2.097 1.00 20.01 H new ATOM 0 HB2 ASN A 17 -14.849 -3.030 5.001 1.00 22.35 H new ATOM 0 HB3 ASN A 17 -15.999 -3.123 3.683 1.00 22.35 H new ATOM 0 HD21 ASN A 17 -15.894 -6.613 4.183 1.00 52.03 H new ATOM 0 HD22 ASN A 17 -16.813 -5.114 4.353 1.00 52.03 H new ATOM 273 N TYR A 18 -13.741 -0.555 1.956 1.00 24.11 N ATOM 274 CA TYR A 18 -13.975 0.825 1.623 1.00 31.55 C ATOM 275 C TYR A 18 -13.739 1.006 0.144 1.00 73.12 C ATOM 276 O TYR A 18 -13.032 0.196 -0.480 1.00 34.30 O ATOM 277 CB TYR A 18 -13.074 1.781 2.448 1.00 44.03 C ATOM 278 CG TYR A 18 -13.358 1.757 3.941 1.00 23.33 C ATOM 279 CD1 TYR A 18 -14.464 2.419 4.464 1.00 63.10 C ATOM 280 CD2 TYR A 18 -12.542 1.052 4.821 1.00 33.42 C ATOM 281 CE1 TYR A 18 -14.750 2.377 5.813 1.00 13.34 C ATOM 282 CE2 TYR A 18 -12.820 1.011 6.175 1.00 41.33 C ATOM 283 CZ TYR A 18 -13.927 1.674 6.664 1.00 33.43 C ATOM 284 OH TYR A 18 -14.226 1.615 8.017 1.00 50.41 O ATOM 0 H TYR A 18 -12.995 -0.982 1.407 1.00 24.11 H new ATOM 0 HA TYR A 18 -15.005 1.080 1.872 1.00 31.55 H new ATOM 0 HB2 TYR A 18 -12.030 1.515 2.282 1.00 44.03 H new ATOM 0 HB3 TYR A 18 -13.206 2.798 2.079 1.00 44.03 H new ATOM 0 HD1 TYR A 18 -15.111 2.976 3.802 1.00 63.10 H new ATOM 0 HD2 TYR A 18 -11.678 0.528 4.440 1.00 33.42 H new ATOM 0 HE1 TYR A 18 -15.616 2.893 6.200 1.00 13.34 H new ATOM 0 HE2 TYR A 18 -12.175 0.463 6.846 1.00 41.33 H new ATOM 0 HH TYR A 18 -14.200 0.683 8.317 1.00 50.41 H new ATOM 294 N ASN A 19 -14.290 2.066 -0.402 1.00 62.33 N ATOM 295 CA ASN A 19 -14.248 2.318 -1.839 1.00 54.44 C ATOM 296 C ASN A 19 -12.828 2.606 -2.300 1.00 23.42 C ATOM 297 O ASN A 19 -12.097 3.361 -1.648 1.00 52.12 O ATOM 298 CB ASN A 19 -15.167 3.491 -2.222 1.00 53.31 C ATOM 299 CG ASN A 19 -15.206 3.744 -3.730 1.00 25.41 C ATOM 300 OD1 ASN A 19 -14.367 4.457 -4.271 1.00 61.13 O ATOM 301 ND2 ASN A 19 -16.178 3.184 -4.409 1.00 14.54 N ATOM 0 H ASN A 19 -14.782 2.783 0.131 1.00 62.33 H new ATOM 0 HA ASN A 19 -14.604 1.417 -2.339 1.00 54.44 H new ATOM 0 HB2 ASN A 19 -16.177 3.287 -1.866 1.00 53.31 H new ATOM 0 HB3 ASN A 19 -14.827 4.394 -1.715 1.00 53.31 H new ATOM 0 HD21 ASN A 19 -16.251 3.336 -5.415 1.00 14.54 H new ATOM 0 HD22 ASN A 19 -16.861 2.596 -3.931 1.00 14.54 H new ATOM 308 N PHE A 20 -12.458 2.002 -3.420 1.00 73.30 N ATOM 309 CA PHE A 20 -11.126 2.113 -4.009 1.00 14.04 C ATOM 310 C PHE A 20 -10.628 3.560 -4.107 1.00 3.22 C ATOM 311 O PHE A 20 -9.468 3.820 -3.835 1.00 10.32 O ATOM 312 CB PHE A 20 -11.122 1.450 -5.397 1.00 74.24 C ATOM 313 CG PHE A 20 -9.824 1.582 -6.151 1.00 33.41 C ATOM 314 CD1 PHE A 20 -8.754 0.763 -5.859 1.00 15.21 C ATOM 315 CD2 PHE A 20 -9.682 2.531 -7.156 1.00 23.33 C ATOM 316 CE1 PHE A 20 -7.570 0.884 -6.546 1.00 43.43 C ATOM 317 CE2 PHE A 20 -8.499 2.656 -7.845 1.00 62.35 C ATOM 318 CZ PHE A 20 -7.441 1.831 -7.540 1.00 73.41 C ATOM 0 H PHE A 20 -13.088 1.407 -3.959 1.00 73.30 H new ATOM 0 HA PHE A 20 -10.435 1.597 -3.343 1.00 14.04 H new ATOM 0 HB2 PHE A 20 -11.353 0.391 -5.280 1.00 74.24 H new ATOM 0 HB3 PHE A 20 -11.921 1.887 -5.996 1.00 74.24 H new ATOM 0 HD1 PHE A 20 -8.847 0.019 -5.082 1.00 15.21 H new ATOM 0 HD2 PHE A 20 -10.511 3.179 -7.399 1.00 23.33 H new ATOM 0 HE1 PHE A 20 -6.739 0.236 -6.307 1.00 43.43 H new ATOM 0 HE2 PHE A 20 -8.400 3.399 -8.623 1.00 62.35 H new ATOM 0 HZ PHE A 20 -6.510 1.925 -8.079 1.00 73.41 H new ATOM 328 N ASN A 21 -11.508 4.492 -4.464 1.00 64.12 N ATOM 329 CA ASN A 21 -11.106 5.902 -4.621 1.00 70.32 C ATOM 330 C ASN A 21 -10.555 6.480 -3.316 1.00 42.24 C ATOM 331 O ASN A 21 -9.476 7.066 -3.306 1.00 13.15 O ATOM 332 CB ASN A 21 -12.261 6.778 -5.138 1.00 73.25 C ATOM 333 CG ASN A 21 -11.878 8.260 -5.343 1.00 74.12 C ATOM 334 OD1 ASN A 21 -12.696 9.142 -5.160 1.00 63.12 O ATOM 335 ND2 ASN A 21 -10.646 8.537 -5.739 1.00 11.02 N ATOM 0 H ASN A 21 -12.494 4.308 -4.650 1.00 64.12 H new ATOM 0 HA ASN A 21 -10.312 5.913 -5.368 1.00 70.32 H new ATOM 0 HB2 ASN A 21 -12.618 6.371 -6.084 1.00 73.25 H new ATOM 0 HB3 ASN A 21 -13.091 6.721 -4.433 1.00 73.25 H new ATOM 0 HD21 ASN A 21 -10.367 9.505 -5.897 1.00 11.02 H new ATOM 0 HD22 ASN A 21 -9.976 7.782 -5.886 1.00 11.02 H new ATOM 342 N THR A 22 -11.259 6.268 -2.214 1.00 1.30 N ATOM 343 CA THR A 22 -10.816 6.817 -0.951 1.00 31.02 C ATOM 344 C THR A 22 -9.538 6.122 -0.470 1.00 31.53 C ATOM 345 O THR A 22 -8.653 6.773 0.092 1.00 35.21 O ATOM 346 CB THR A 22 -11.931 6.865 0.158 1.00 22.31 C ATOM 347 OG1 THR A 22 -11.437 7.502 1.340 1.00 0.54 O ATOM 348 CG2 THR A 22 -12.452 5.485 0.523 1.00 31.43 C ATOM 0 H THR A 22 -12.124 5.729 -2.172 1.00 1.30 H new ATOM 0 HA THR A 22 -10.580 7.864 -1.141 1.00 31.02 H new ATOM 0 HB THR A 22 -12.757 7.438 -0.262 1.00 22.31 H new ATOM 0 HG1 THR A 22 -12.143 7.525 2.019 1.00 0.54 H new ATOM 0 HG21 THR A 22 -13.219 5.577 1.292 1.00 31.43 H new ATOM 0 HG22 THR A 22 -12.880 5.012 -0.361 1.00 31.43 H new ATOM 0 HG23 THR A 22 -11.632 4.874 0.900 1.00 31.43 H new ATOM 356 N VAL A 23 -9.438 4.816 -0.716 1.00 53.20 N ATOM 357 CA VAL A 23 -8.252 4.056 -0.345 1.00 23.14 C ATOM 358 C VAL A 23 -7.055 4.534 -1.172 1.00 11.44 C ATOM 359 O VAL A 23 -5.956 4.705 -0.642 1.00 63.51 O ATOM 360 CB VAL A 23 -8.456 2.526 -0.537 1.00 74.51 C ATOM 361 CG1 VAL A 23 -7.215 1.746 -0.104 1.00 21.03 C ATOM 362 CG2 VAL A 23 -9.674 2.046 0.242 1.00 51.15 C ATOM 0 H VAL A 23 -10.166 4.265 -1.171 1.00 53.20 H new ATOM 0 HA VAL A 23 -8.063 4.229 0.714 1.00 23.14 H new ATOM 0 HB VAL A 23 -8.622 2.343 -1.599 1.00 74.51 H new ATOM 0 HG11 VAL A 23 -7.387 0.679 -0.249 1.00 21.03 H new ATOM 0 HG12 VAL A 23 -6.360 2.061 -0.702 1.00 21.03 H new ATOM 0 HG13 VAL A 23 -7.012 1.941 0.949 1.00 21.03 H new ATOM 0 HG21 VAL A 23 -9.800 0.973 0.095 1.00 51.15 H new ATOM 0 HG22 VAL A 23 -9.532 2.253 1.303 1.00 51.15 H new ATOM 0 HG23 VAL A 23 -10.562 2.568 -0.114 1.00 51.15 H new ATOM 372 N TYR A 24 -7.297 4.780 -2.462 1.00 35.33 N ATOM 373 CA TYR A 24 -6.279 5.297 -3.375 1.00 11.43 C ATOM 374 C TYR A 24 -5.714 6.606 -2.858 1.00 23.35 C ATOM 375 O TYR A 24 -4.499 6.771 -2.782 1.00 41.53 O ATOM 376 CB TYR A 24 -6.880 5.499 -4.794 1.00 54.41 C ATOM 377 CG TYR A 24 -5.997 6.269 -5.774 1.00 53.41 C ATOM 378 CD1 TYR A 24 -5.021 5.629 -6.514 1.00 31.12 C ATOM 379 CD2 TYR A 24 -6.152 7.645 -5.951 1.00 63.54 C ATOM 380 CE1 TYR A 24 -4.219 6.325 -7.400 1.00 12.22 C ATOM 381 CE2 TYR A 24 -5.356 8.347 -6.833 1.00 2.31 C ATOM 382 CZ TYR A 24 -4.390 7.682 -7.555 1.00 11.33 C ATOM 383 OH TYR A 24 -3.589 8.376 -8.436 1.00 52.04 O ATOM 0 H TYR A 24 -8.205 4.626 -2.901 1.00 35.33 H new ATOM 0 HA TYR A 24 -5.470 4.569 -3.435 1.00 11.43 H new ATOM 0 HB2 TYR A 24 -7.099 4.520 -5.220 1.00 54.41 H new ATOM 0 HB3 TYR A 24 -7.830 6.024 -4.697 1.00 54.41 H new ATOM 0 HD1 TYR A 24 -4.882 4.564 -6.398 1.00 31.12 H new ATOM 0 HD2 TYR A 24 -6.909 8.170 -5.387 1.00 63.54 H new ATOM 0 HE1 TYR A 24 -3.461 5.806 -7.968 1.00 12.22 H new ATOM 0 HE2 TYR A 24 -5.490 9.412 -6.956 1.00 2.31 H new ATOM 0 HH TYR A 24 -3.839 9.324 -8.428 1.00 52.04 H new ATOM 393 N ASN A 25 -6.602 7.500 -2.452 1.00 51.11 N ATOM 394 CA ASN A 25 -6.212 8.805 -1.966 1.00 12.10 C ATOM 395 C ASN A 25 -5.385 8.673 -0.708 1.00 34.00 C ATOM 396 O ASN A 25 -4.289 9.222 -0.612 1.00 63.33 O ATOM 397 CB ASN A 25 -7.445 9.676 -1.668 1.00 62.11 C ATOM 398 CG ASN A 25 -8.313 9.981 -2.880 1.00 74.23 C ATOM 399 OD1 ASN A 25 -7.847 10.036 -4.008 1.00 21.12 O ATOM 400 ND2 ASN A 25 -9.589 10.196 -2.646 1.00 3.21 N ATOM 0 H ASN A 25 -7.609 7.338 -2.452 1.00 51.11 H new ATOM 0 HA ASN A 25 -5.620 9.284 -2.746 1.00 12.10 H new ATOM 0 HB2 ASN A 25 -8.055 9.174 -0.917 1.00 62.11 H new ATOM 0 HB3 ASN A 25 -7.112 10.617 -1.230 1.00 62.11 H new ATOM 0 HD21 ASN A 25 -10.219 10.416 -3.417 1.00 3.21 H new ATOM 0 HD22 ASN A 25 -9.949 10.143 -1.693 1.00 3.21 H new ATOM 407 N ALA A 26 -5.897 7.891 0.225 1.00 43.14 N ATOM 408 CA ALA A 26 -5.278 7.709 1.521 1.00 21.32 C ATOM 409 C ALA A 26 -3.891 7.086 1.415 1.00 74.21 C ATOM 410 O ALA A 26 -2.932 7.582 2.014 1.00 15.24 O ATOM 411 CB ALA A 26 -6.173 6.856 2.397 1.00 64.42 C ATOM 0 H ALA A 26 -6.760 7.362 0.102 1.00 43.14 H new ATOM 0 HA ALA A 26 -5.152 8.694 1.971 1.00 21.32 H new ATOM 0 HB1 ALA A 26 -5.705 6.720 3.372 1.00 64.42 H new ATOM 0 HB2 ALA A 26 -7.137 7.350 2.522 1.00 64.42 H new ATOM 0 HB3 ALA A 26 -6.322 5.884 1.927 1.00 64.42 H new ATOM 417 N THR A 27 -3.785 6.044 0.622 1.00 1.03 N ATOM 418 CA THR A 27 -2.543 5.328 0.457 1.00 61.00 C ATOM 419 C THR A 27 -1.509 6.180 -0.278 1.00 62.14 C ATOM 420 O THR A 27 -0.336 6.245 0.130 1.00 62.21 O ATOM 421 CB THR A 27 -2.778 4.033 -0.321 1.00 52.13 C ATOM 422 OG1 THR A 27 -3.827 3.282 0.304 1.00 44.32 O ATOM 423 CG2 THR A 27 -1.516 3.195 -0.369 1.00 51.45 C ATOM 0 H THR A 27 -4.559 5.670 0.073 1.00 1.03 H new ATOM 0 HA THR A 27 -2.160 5.094 1.450 1.00 61.00 H new ATOM 0 HB THR A 27 -3.062 4.290 -1.341 1.00 52.13 H new ATOM 0 HG1 THR A 27 -4.696 3.620 0.002 1.00 44.32 H new ATOM 0 HG21 THR A 27 -1.708 2.279 -0.928 1.00 51.45 H new ATOM 0 HG22 THR A 27 -0.723 3.759 -0.860 1.00 51.45 H new ATOM 0 HG23 THR A 27 -1.208 2.943 0.646 1.00 51.45 H new ATOM 431 N LEU A 28 -1.949 6.853 -1.344 1.00 2.34 N ATOM 432 CA LEU A 28 -1.066 7.677 -2.136 1.00 1.55 C ATOM 433 C LEU A 28 -0.482 8.782 -1.279 1.00 71.45 C ATOM 434 O LEU A 28 0.721 8.928 -1.208 1.00 13.12 O ATOM 435 CB LEU A 28 -1.807 8.268 -3.342 1.00 21.03 C ATOM 436 CG LEU A 28 -1.002 9.202 -4.253 1.00 10.02 C ATOM 437 CD1 LEU A 28 0.145 8.461 -4.926 1.00 23.54 C ATOM 438 CD2 LEU A 28 -1.906 9.853 -5.286 1.00 61.44 C ATOM 0 H LEU A 28 -2.915 6.836 -1.670 1.00 2.34 H new ATOM 0 HA LEU A 28 -0.254 7.054 -2.511 1.00 1.55 H new ATOM 0 HB2 LEU A 28 -2.184 7.444 -3.947 1.00 21.03 H new ATOM 0 HB3 LEU A 28 -2.674 8.816 -2.974 1.00 21.03 H new ATOM 0 HG LEU A 28 -0.571 9.987 -3.632 1.00 10.02 H new ATOM 0 HD11 LEU A 28 0.697 9.149 -5.566 1.00 23.54 H new ATOM 0 HD12 LEU A 28 0.813 8.057 -4.165 1.00 23.54 H new ATOM 0 HD13 LEU A 28 -0.253 7.645 -5.530 1.00 23.54 H new ATOM 0 HD21 LEU A 28 -1.316 10.512 -5.923 1.00 61.44 H new ATOM 0 HD22 LEU A 28 -2.374 9.082 -5.897 1.00 61.44 H new ATOM 0 HD23 LEU A 28 -2.678 10.433 -4.780 1.00 61.44 H new ATOM 450 N GLN A 29 -1.341 9.496 -0.575 1.00 51.51 N ATOM 451 CA GLN A 29 -0.924 10.590 0.291 1.00 64.31 C ATOM 452 C GLN A 29 0.002 10.121 1.410 1.00 72.23 C ATOM 453 O GLN A 29 0.932 10.839 1.774 1.00 45.20 O ATOM 454 CB GLN A 29 -2.127 11.323 0.874 1.00 34.10 C ATOM 455 CG GLN A 29 -2.989 12.008 -0.170 1.00 2.53 C ATOM 456 CD GLN A 29 -4.197 12.704 0.429 1.00 71.14 C ATOM 457 OE1 GLN A 29 -4.732 12.288 1.452 1.00 2.30 O ATOM 458 NE2 GLN A 29 -4.636 13.765 -0.201 1.00 20.22 N ATOM 0 H GLN A 29 -2.348 9.336 -0.586 1.00 51.51 H new ATOM 0 HA GLN A 29 -0.361 11.283 -0.334 1.00 64.31 H new ATOM 0 HB2 GLN A 29 -2.740 10.613 1.429 1.00 34.10 H new ATOM 0 HB3 GLN A 29 -1.776 12.068 1.588 1.00 34.10 H new ATOM 0 HG2 GLN A 29 -2.386 12.738 -0.710 1.00 2.53 H new ATOM 0 HG3 GLN A 29 -3.325 11.270 -0.898 1.00 2.53 H new ATOM 0 HE21 GLN A 29 -4.168 14.084 -1.049 1.00 20.22 H new ATOM 0 HE22 GLN A 29 -5.446 14.272 0.157 1.00 20.22 H new ATOM 467 N ALA A 30 -0.239 8.917 1.922 1.00 71.44 N ATOM 468 CA ALA A 30 0.566 8.345 3.001 1.00 64.12 C ATOM 469 C ALA A 30 2.036 8.237 2.607 1.00 24.01 C ATOM 470 O ALA A 30 2.925 8.646 3.361 1.00 31.44 O ATOM 471 CB ALA A 30 0.031 6.978 3.396 1.00 74.53 C ATOM 0 H ALA A 30 -0.995 8.311 1.603 1.00 71.44 H new ATOM 0 HA ALA A 30 0.495 9.017 3.856 1.00 64.12 H new ATOM 0 HB1 ALA A 30 0.641 6.567 4.200 1.00 74.53 H new ATOM 0 HB2 ALA A 30 -1.000 7.075 3.737 1.00 74.53 H new ATOM 0 HB3 ALA A 30 0.067 6.310 2.535 1.00 74.53 H new ATOM 477 N ILE A 31 2.290 7.721 1.427 1.00 4.11 N ATOM 478 CA ILE A 31 3.655 7.582 0.961 1.00 75.31 C ATOM 479 C ILE A 31 4.170 8.891 0.343 1.00 41.13 C ATOM 480 O ILE A 31 5.268 9.331 0.651 1.00 22.55 O ATOM 481 CB ILE A 31 3.836 6.373 -0.023 1.00 33.51 C ATOM 482 CG1 ILE A 31 5.266 6.336 -0.588 1.00 23.40 C ATOM 483 CG2 ILE A 31 2.790 6.367 -1.137 1.00 3.14 C ATOM 484 CD1 ILE A 31 5.521 5.223 -1.579 1.00 21.44 C ATOM 0 H ILE A 31 1.578 7.392 0.775 1.00 4.11 H new ATOM 0 HA ILE A 31 4.264 7.362 1.838 1.00 75.31 H new ATOM 0 HB ILE A 31 3.676 5.462 0.553 1.00 33.51 H new ATOM 0 HG12 ILE A 31 5.477 7.290 -1.071 1.00 23.40 H new ATOM 0 HG13 ILE A 31 5.968 6.236 0.240 1.00 23.40 H new ATOM 0 HG21 ILE A 31 2.959 5.511 -1.790 1.00 3.14 H new ATOM 0 HG22 ILE A 31 1.794 6.299 -0.700 1.00 3.14 H new ATOM 0 HG23 ILE A 31 2.870 7.287 -1.716 1.00 3.14 H new ATOM 0 HD11 ILE A 31 6.553 5.273 -1.925 1.00 21.44 H new ATOM 0 HD12 ILE A 31 5.346 4.261 -1.098 1.00 21.44 H new ATOM 0 HD13 ILE A 31 4.848 5.332 -2.429 1.00 21.44 H new ATOM 496 N GLN A 32 3.326 9.533 -0.450 1.00 73.31 N ATOM 497 CA GLN A 32 3.660 10.761 -1.179 1.00 72.21 C ATOM 498 C GLN A 32 4.069 11.902 -0.240 1.00 42.40 C ATOM 499 O GLN A 32 4.950 12.682 -0.556 1.00 70.34 O ATOM 500 CB GLN A 32 2.454 11.164 -2.033 1.00 70.04 C ATOM 501 CG GLN A 32 2.599 12.426 -2.834 1.00 34.41 C ATOM 502 CD GLN A 32 1.353 12.721 -3.640 1.00 22.24 C ATOM 503 OE1 GLN A 32 0.437 13.379 -3.168 1.00 42.23 O ATOM 504 NE2 GLN A 32 1.310 12.238 -4.858 1.00 1.10 N ATOM 0 H GLN A 32 2.371 9.215 -0.612 1.00 73.31 H new ATOM 0 HA GLN A 32 4.523 10.565 -1.815 1.00 72.21 H new ATOM 0 HB2 GLN A 32 2.232 10.347 -2.719 1.00 70.04 H new ATOM 0 HB3 GLN A 32 1.591 11.272 -1.377 1.00 70.04 H new ATOM 0 HG2 GLN A 32 2.806 13.261 -2.164 1.00 34.41 H new ATOM 0 HG3 GLN A 32 3.454 12.336 -3.504 1.00 34.41 H new ATOM 0 HE21 GLN A 32 2.093 11.693 -5.219 1.00 1.10 H new ATOM 0 HE22 GLN A 32 0.493 12.407 -5.445 1.00 1.10 H new ATOM 513 N ASN A 33 3.444 11.972 0.916 1.00 11.51 N ATOM 514 CA ASN A 33 3.737 13.041 1.871 1.00 15.12 C ATOM 515 C ASN A 33 4.659 12.558 2.968 1.00 2.31 C ATOM 516 O ASN A 33 4.863 13.254 3.960 1.00 11.44 O ATOM 517 CB ASN A 33 2.449 13.613 2.482 1.00 63.33 C ATOM 518 CG ASN A 33 1.591 14.366 1.479 1.00 24.04 C ATOM 519 OD1 ASN A 33 1.734 15.563 1.296 1.00 61.33 O ATOM 520 ND2 ASN A 33 0.686 13.668 0.840 1.00 40.12 N ATOM 0 H ASN A 33 2.732 11.310 1.224 1.00 11.51 H new ATOM 0 HA ASN A 33 4.240 13.835 1.320 1.00 15.12 H new ATOM 0 HB2 ASN A 33 1.865 12.798 2.910 1.00 63.33 H new ATOM 0 HB3 ASN A 33 2.710 14.283 3.302 1.00 63.33 H new ATOM 0 HD21 ASN A 33 0.073 14.124 0.164 1.00 40.12 H new ATOM 0 HD22 ASN A 33 0.594 12.668 1.018 1.00 40.12 H new ATOM 527 N GLY A 34 5.205 11.358 2.785 1.00 15.32 N ATOM 528 CA GLY A 34 6.142 10.772 3.739 1.00 63.14 C ATOM 529 C GLY A 34 5.583 10.694 5.144 1.00 4.04 C ATOM 530 O GLY A 34 6.197 11.162 6.087 1.00 33.03 O ATOM 0 H GLY A 34 5.012 10.768 1.976 1.00 15.32 H new ATOM 0 HA2 GLY A 34 6.413 9.770 3.405 1.00 63.14 H new ATOM 0 HA3 GLY A 34 7.058 11.363 3.750 1.00 63.14 H new ATOM 534 N GLN A 35 4.424 10.089 5.280 1.00 0.22 N ATOM 535 CA GLN A 35 3.753 10.008 6.574 1.00 62.31 C ATOM 536 C GLN A 35 4.238 8.797 7.376 1.00 70.55 C ATOM 537 O GLN A 35 3.796 8.550 8.491 1.00 75.43 O ATOM 538 CB GLN A 35 2.237 9.969 6.375 1.00 44.21 C ATOM 539 CG GLN A 35 1.675 11.196 5.658 1.00 41.12 C ATOM 540 CD GLN A 35 1.879 12.488 6.437 1.00 44.33 C ATOM 541 OE1 GLN A 35 1.045 12.870 7.238 1.00 35.02 O ATOM 542 NE2 GLN A 35 2.972 13.175 6.195 1.00 23.03 N ATOM 0 H GLN A 35 3.920 9.643 4.514 1.00 0.22 H new ATOM 0 HA GLN A 35 4.004 10.898 7.151 1.00 62.31 H new ATOM 0 HB2 GLN A 35 1.978 9.077 5.805 1.00 44.21 H new ATOM 0 HB3 GLN A 35 1.755 9.876 7.348 1.00 44.21 H new ATOM 0 HG2 GLN A 35 2.151 11.288 4.682 1.00 41.12 H new ATOM 0 HG3 GLN A 35 0.609 11.050 5.481 1.00 41.12 H new ATOM 0 HE21 GLN A 35 3.652 12.829 5.518 1.00 23.03 H new ATOM 0 HE22 GLN A 35 3.140 14.054 6.684 1.00 23.03 H new ATOM 551 N THR A 36 5.145 8.062 6.796 1.00 35.21 N ATOM 552 CA THR A 36 5.729 6.919 7.415 1.00 22.31 C ATOM 553 C THR A 36 7.213 6.921 7.086 1.00 74.54 C ATOM 554 O THR A 36 7.605 7.304 5.975 1.00 32.20 O ATOM 555 CB THR A 36 5.039 5.584 6.954 1.00 14.12 C ATOM 556 OG1 THR A 36 5.658 4.441 7.570 1.00 43.42 O ATOM 557 CG2 THR A 36 5.057 5.420 5.433 1.00 41.33 C ATOM 0 H THR A 36 5.502 8.250 5.859 1.00 35.21 H new ATOM 0 HA THR A 36 5.583 6.971 8.494 1.00 22.31 H new ATOM 0 HB THR A 36 3.999 5.646 7.276 1.00 14.12 H new ATOM 0 HG1 THR A 36 5.209 3.624 7.268 1.00 43.42 H new ATOM 0 HG21 THR A 36 4.569 4.484 5.162 1.00 41.33 H new ATOM 0 HG22 THR A 36 4.526 6.252 4.971 1.00 41.33 H new ATOM 0 HG23 THR A 36 6.088 5.407 5.081 1.00 41.33 H new ATOM 565 N PHE A 37 8.032 6.556 8.043 1.00 13.11 N ATOM 566 CA PHE A 37 9.460 6.540 7.848 1.00 65.44 C ATOM 567 C PHE A 37 10.023 5.177 8.166 1.00 44.43 C ATOM 568 O PHE A 37 9.469 4.441 8.983 1.00 14.22 O ATOM 569 CB PHE A 37 10.160 7.621 8.687 1.00 45.44 C ATOM 570 CG PHE A 37 9.793 9.033 8.304 1.00 61.23 C ATOM 571 CD1 PHE A 37 10.384 9.639 7.206 1.00 44.43 C ATOM 572 CD2 PHE A 37 8.864 9.751 9.042 1.00 44.04 C ATOM 573 CE1 PHE A 37 10.058 10.934 6.852 1.00 72.44 C ATOM 574 CE2 PHE A 37 8.533 11.046 8.691 1.00 32.44 C ATOM 575 CZ PHE A 37 9.131 11.637 7.595 1.00 50.21 C ATOM 0 H PHE A 37 7.729 6.264 8.972 1.00 13.11 H new ATOM 0 HA PHE A 37 9.651 6.763 6.798 1.00 65.44 H new ATOM 0 HB2 PHE A 37 9.915 7.466 9.738 1.00 45.44 H new ATOM 0 HB3 PHE A 37 11.239 7.499 8.590 1.00 45.44 H new ATOM 0 HD1 PHE A 37 11.108 9.092 6.620 1.00 44.43 H new ATOM 0 HD2 PHE A 37 8.394 9.293 9.900 1.00 44.04 H new ATOM 0 HE1 PHE A 37 10.527 11.395 5.996 1.00 72.44 H new ATOM 0 HE2 PHE A 37 7.808 11.595 9.273 1.00 32.44 H new ATOM 0 HZ PHE A 37 8.873 12.649 7.319 1.00 50.21 H new ATOM 585 N ASP A 38 11.102 4.850 7.508 1.00 50.25 N ATOM 586 CA ASP A 38 11.781 3.581 7.680 1.00 2.03 C ATOM 587 C ASP A 38 13.013 3.787 8.557 1.00 23.25 C ATOM 588 O ASP A 38 13.480 4.919 8.694 1.00 34.13 O ATOM 589 CB ASP A 38 12.185 3.026 6.305 1.00 14.45 C ATOM 590 CG ASP A 38 12.915 1.717 6.390 1.00 3.32 C ATOM 591 OD1 ASP A 38 12.263 0.671 6.536 1.00 61.22 O ATOM 592 OD2 ASP A 38 14.143 1.726 6.333 1.00 54.15 O ATOM 0 H ASP A 38 11.546 5.463 6.825 1.00 50.25 H new ATOM 0 HA ASP A 38 11.117 2.865 8.164 1.00 2.03 H new ATOM 0 HB2 ASP A 38 11.291 2.898 5.695 1.00 14.45 H new ATOM 0 HB3 ASP A 38 12.816 3.755 5.797 1.00 14.45 H new ATOM 597 N TYR A 39 13.562 2.703 9.101 1.00 34.25 N ATOM 598 CA TYR A 39 14.722 2.766 9.993 1.00 74.35 C ATOM 599 C TYR A 39 15.971 3.271 9.280 1.00 62.44 C ATOM 600 O TYR A 39 16.840 3.861 9.903 1.00 63.04 O ATOM 601 CB TYR A 39 15.020 1.395 10.603 1.00 51.24 C ATOM 602 CG TYR A 39 13.944 0.863 11.515 1.00 64.22 C ATOM 603 CD1 TYR A 39 13.855 1.297 12.829 1.00 4.52 C ATOM 604 CD2 TYR A 39 13.025 -0.078 11.071 1.00 31.23 C ATOM 605 CE1 TYR A 39 12.883 0.813 13.676 1.00 65.11 C ATOM 606 CE2 TYR A 39 12.051 -0.569 11.913 1.00 70.35 C ATOM 607 CZ TYR A 39 11.985 -0.121 13.215 1.00 3.32 C ATOM 608 OH TYR A 39 11.019 -0.609 14.059 1.00 4.53 O ATOM 0 H TYR A 39 13.217 1.757 8.937 1.00 34.25 H new ATOM 0 HA TYR A 39 14.464 3.473 10.781 1.00 74.35 H new ATOM 0 HB2 TYR A 39 15.179 0.680 9.796 1.00 51.24 H new ATOM 0 HB3 TYR A 39 15.953 1.457 11.162 1.00 51.24 H new ATOM 0 HD1 TYR A 39 14.561 2.028 13.195 1.00 4.52 H new ATOM 0 HD2 TYR A 39 13.074 -0.430 10.051 1.00 31.23 H new ATOM 0 HE1 TYR A 39 12.826 1.165 14.696 1.00 65.11 H new ATOM 0 HE2 TYR A 39 11.343 -1.301 11.555 1.00 70.35 H new ATOM 0 HH TYR A 39 10.785 0.076 14.719 1.00 4.53 H new ATOM 618 N LYS A 40 16.060 3.047 7.982 1.00 1.13 N ATOM 619 CA LYS A 40 17.213 3.525 7.237 1.00 62.11 C ATOM 620 C LYS A 40 16.791 4.625 6.284 1.00 14.32 C ATOM 621 O LYS A 40 17.575 5.069 5.451 1.00 40.35 O ATOM 622 CB LYS A 40 17.917 2.375 6.490 1.00 3.14 C ATOM 623 CG LYS A 40 17.044 1.663 5.480 1.00 12.52 C ATOM 624 CD LYS A 40 17.747 0.487 4.844 1.00 33.04 C ATOM 625 CE LYS A 40 16.799 -0.251 3.927 1.00 22.25 C ATOM 626 NZ LYS A 40 17.415 -1.435 3.323 1.00 65.51 N ATOM 0 H LYS A 40 15.363 2.547 7.429 1.00 1.13 H new ATOM 0 HA LYS A 40 17.935 3.935 7.943 1.00 62.11 H new ATOM 0 HB2 LYS A 40 18.794 2.772 5.979 1.00 3.14 H new ATOM 0 HB3 LYS A 40 18.275 1.649 7.220 1.00 3.14 H new ATOM 0 HG2 LYS A 40 16.133 1.318 5.969 1.00 12.52 H new ATOM 0 HG3 LYS A 40 16.742 2.366 4.704 1.00 12.52 H new ATOM 0 HD2 LYS A 40 18.614 0.833 4.281 1.00 33.04 H new ATOM 0 HD3 LYS A 40 18.116 -0.187 5.617 1.00 33.04 H new ATOM 0 HE2 LYS A 40 15.915 -0.551 4.489 1.00 22.25 H new ATOM 0 HE3 LYS A 40 16.462 0.422 3.139 1.00 22.25 H new ATOM 0 HZ1 LYS A 40 16.777 -1.829 2.603 1.00 65.51 H new ATOM 0 HZ2 LYS A 40 18.317 -1.169 2.878 1.00 65.51 H new ATOM 0 HZ3 LYS A 40 17.589 -2.149 4.059 1.00 65.51 H new ATOM 640 N SER A 41 15.533 5.064 6.444 1.00 40.03 N ATOM 641 CA SER A 41 14.934 6.110 5.629 1.00 45.31 C ATOM 642 C SER A 41 14.999 5.730 4.137 1.00 61.12 C ATOM 643 O SER A 41 15.290 6.570 3.277 1.00 23.15 O ATOM 644 CB SER A 41 15.639 7.465 5.913 1.00 65.12 C ATOM 645 OG SER A 41 15.020 8.538 5.222 1.00 72.12 O ATOM 0 H SER A 41 14.903 4.692 7.154 1.00 40.03 H new ATOM 0 HA SER A 41 13.881 6.218 5.890 1.00 45.31 H new ATOM 0 HB2 SER A 41 15.622 7.665 6.984 1.00 65.12 H new ATOM 0 HB3 SER A 41 16.686 7.399 5.617 1.00 65.12 H new ATOM 0 HG SER A 41 14.959 8.321 4.268 1.00 72.12 H new ATOM 651 N ASN A 42 14.672 4.472 3.844 1.00 71.05 N ATOM 652 CA ASN A 42 14.730 3.961 2.473 1.00 45.52 C ATOM 653 C ASN A 42 13.674 4.677 1.622 1.00 75.13 C ATOM 654 O ASN A 42 12.523 4.779 2.059 1.00 52.12 O ATOM 655 CB ASN A 42 14.461 2.445 2.449 1.00 73.04 C ATOM 656 CG ASN A 42 14.810 1.801 1.107 1.00 10.35 C ATOM 657 OD1 ASN A 42 15.748 2.211 0.437 1.00 22.22 O ATOM 658 ND2 ASN A 42 14.080 0.794 0.719 1.00 0.33 N ATOM 0 H ASN A 42 14.365 3.788 4.536 1.00 71.05 H new ATOM 0 HA ASN A 42 15.725 4.147 2.070 1.00 45.52 H new ATOM 0 HB2 ASN A 42 15.040 1.966 3.238 1.00 73.04 H new ATOM 0 HB3 ASN A 42 13.409 2.264 2.671 1.00 73.04 H new ATOM 0 HD21 ASN A 42 14.285 0.326 -0.164 1.00 0.33 H new ATOM 0 HD22 ASN A 42 13.304 0.474 1.298 1.00 0.33 H new ATOM 665 N PRO A 43 14.095 5.230 0.437 1.00 41.32 N ATOM 666 CA PRO A 43 13.257 5.978 -0.514 1.00 63.34 C ATOM 667 C PRO A 43 11.763 5.641 -0.534 1.00 3.20 C ATOM 668 O PRO A 43 11.351 4.497 -0.772 1.00 52.02 O ATOM 669 CB PRO A 43 13.898 5.624 -1.845 1.00 22.22 C ATOM 670 CG PRO A 43 15.357 5.552 -1.540 1.00 43.21 C ATOM 671 CD PRO A 43 15.486 5.196 -0.069 1.00 33.31 C ATOM 0 HA PRO A 43 13.239 7.035 -0.247 1.00 63.34 H new ATOM 0 HB2 PRO A 43 13.524 4.674 -2.227 1.00 22.22 H new ATOM 0 HB3 PRO A 43 13.686 6.379 -2.602 1.00 22.22 H new ATOM 0 HG2 PRO A 43 15.845 4.802 -2.163 1.00 43.21 H new ATOM 0 HG3 PRO A 43 15.842 6.505 -1.750 1.00 43.21 H new ATOM 0 HD2 PRO A 43 15.934 4.211 0.065 1.00 33.31 H new ATOM 0 HD3 PRO A 43 16.119 5.909 0.459 1.00 33.31 H new ATOM 679 N TYR A 44 10.991 6.643 -0.192 1.00 32.33 N ATOM 680 CA TYR A 44 9.544 6.641 -0.280 1.00 42.32 C ATOM 681 C TYR A 44 9.096 7.353 -1.533 1.00 71.05 C ATOM 682 O TYR A 44 7.910 7.438 -1.846 1.00 60.24 O ATOM 683 CB TYR A 44 8.868 7.206 0.958 1.00 3.42 C ATOM 684 CG TYR A 44 8.939 6.277 2.140 1.00 74.31 C ATOM 685 CD1 TYR A 44 8.101 5.173 2.209 1.00 65.13 C ATOM 686 CD2 TYR A 44 9.833 6.489 3.179 1.00 34.21 C ATOM 687 CE1 TYR A 44 8.148 4.307 3.272 1.00 24.42 C ATOM 688 CE2 TYR A 44 9.885 5.623 4.251 1.00 43.14 C ATOM 689 CZ TYR A 44 9.040 4.532 4.289 1.00 31.20 C ATOM 690 OH TYR A 44 9.082 3.666 5.352 1.00 33.54 O ATOM 0 H TYR A 44 11.365 7.520 0.171 1.00 32.33 H new ATOM 0 HA TYR A 44 9.228 5.599 -0.336 1.00 42.32 H new ATOM 0 HB2 TYR A 44 9.336 8.155 1.220 1.00 3.42 H new ATOM 0 HB3 TYR A 44 7.823 7.417 0.731 1.00 3.42 H new ATOM 0 HD1 TYR A 44 7.398 4.992 1.410 1.00 65.13 H new ATOM 0 HD2 TYR A 44 10.495 7.341 3.148 1.00 34.21 H new ATOM 0 HE1 TYR A 44 7.487 3.454 3.308 1.00 24.42 H new ATOM 0 HE2 TYR A 44 10.583 5.797 5.056 1.00 43.14 H new ATOM 0 HH TYR A 44 8.823 2.769 5.054 1.00 33.54 H new ATOM 700 N ASP A 45 10.056 7.857 -2.242 1.00 4.54 N ATOM 701 CA ASP A 45 9.844 8.705 -3.379 1.00 33.23 C ATOM 702 C ASP A 45 9.446 7.817 -4.522 1.00 33.32 C ATOM 703 O ASP A 45 10.235 6.995 -5.011 1.00 10.24 O ATOM 704 CB ASP A 45 11.169 9.396 -3.739 1.00 31.33 C ATOM 705 CG ASP A 45 11.879 9.989 -2.536 1.00 1.43 C ATOM 706 OD1 ASP A 45 12.453 9.191 -1.729 1.00 63.54 O ATOM 707 OD2 ASP A 45 11.858 11.218 -2.372 1.00 25.13 O ATOM 0 H ASP A 45 11.041 7.686 -2.042 1.00 4.54 H new ATOM 0 HA ASP A 45 9.082 9.456 -3.171 1.00 33.23 H new ATOM 0 HB2 ASP A 45 11.828 8.675 -4.223 1.00 31.33 H new ATOM 0 HB3 ASP A 45 10.974 10.186 -4.464 1.00 31.33 H new ATOM 712 N ILE A 46 8.210 7.968 -4.932 1.00 30.14 N ATOM 713 CA ILE A 46 7.583 7.096 -5.897 1.00 33.35 C ATOM 714 C ILE A 46 8.279 7.206 -7.233 1.00 45.44 C ATOM 715 O ILE A 46 8.327 8.268 -7.838 1.00 22.31 O ATOM 716 CB ILE A 46 6.077 7.444 -6.035 1.00 21.31 C ATOM 717 CG1 ILE A 46 5.403 7.340 -4.655 1.00 45.41 C ATOM 718 CG2 ILE A 46 5.396 6.515 -7.038 1.00 41.42 C ATOM 719 CD1 ILE A 46 3.945 7.739 -4.631 1.00 62.03 C ATOM 0 H ILE A 46 7.600 8.714 -4.598 1.00 30.14 H new ATOM 0 HA ILE A 46 7.669 6.067 -5.549 1.00 33.35 H new ATOM 0 HB ILE A 46 5.979 8.464 -6.407 1.00 21.31 H new ATOM 0 HG12 ILE A 46 5.490 6.313 -4.300 1.00 45.41 H new ATOM 0 HG13 ILE A 46 5.949 7.968 -3.951 1.00 45.41 H new ATOM 0 HG21 ILE A 46 4.341 6.777 -7.119 1.00 41.42 H new ATOM 0 HG22 ILE A 46 5.872 6.621 -8.013 1.00 41.42 H new ATOM 0 HG23 ILE A 46 5.488 5.483 -6.699 1.00 41.42 H new ATOM 0 HD11 ILE A 46 3.556 7.634 -3.618 1.00 62.03 H new ATOM 0 HD12 ILE A 46 3.846 8.776 -4.952 1.00 62.03 H new ATOM 0 HD13 ILE A 46 3.380 7.095 -5.306 1.00 62.03 H new ATOM 731 N SER A 47 8.826 6.099 -7.665 1.00 70.40 N ATOM 732 CA SER A 47 9.610 6.054 -8.854 1.00 61.35 C ATOM 733 C SER A 47 8.730 5.659 -10.044 1.00 52.14 C ATOM 734 O SER A 47 8.989 6.052 -11.173 1.00 64.23 O ATOM 735 CB SER A 47 10.703 5.016 -8.638 1.00 30.03 C ATOM 736 OG SER A 47 11.284 5.175 -7.337 1.00 13.42 O ATOM 0 H SER A 47 8.734 5.200 -7.191 1.00 70.40 H new ATOM 0 HA SER A 47 10.047 7.029 -9.068 1.00 61.35 H new ATOM 0 HB2 SER A 47 10.288 4.013 -8.739 1.00 30.03 H new ATOM 0 HB3 SER A 47 11.472 5.122 -9.403 1.00 30.03 H new ATOM 0 HG SER A 47 12.093 4.626 -7.271 1.00 13.42 H new ATOM 742 N VAL A 48 7.679 4.879 -9.777 1.00 71.12 N ATOM 743 CA VAL A 48 6.722 4.511 -10.808 1.00 52.43 C ATOM 744 C VAL A 48 5.328 4.544 -10.191 1.00 42.50 C ATOM 745 O VAL A 48 5.106 3.977 -9.112 1.00 25.43 O ATOM 746 CB VAL A 48 6.976 3.061 -11.369 1.00 35.34 C ATOM 747 CG1 VAL A 48 6.029 2.742 -12.517 1.00 51.41 C ATOM 748 CG2 VAL A 48 8.421 2.853 -11.811 1.00 51.45 C ATOM 0 H VAL A 48 7.475 4.494 -8.855 1.00 71.12 H new ATOM 0 HA VAL A 48 6.825 5.215 -11.634 1.00 52.43 H new ATOM 0 HB VAL A 48 6.780 2.374 -10.546 1.00 35.34 H new ATOM 0 HG11 VAL A 48 6.228 1.735 -12.884 1.00 51.41 H new ATOM 0 HG12 VAL A 48 4.999 2.804 -12.167 1.00 51.41 H new ATOM 0 HG13 VAL A 48 6.181 3.459 -13.324 1.00 51.41 H new ATOM 0 HG21 VAL A 48 8.543 1.838 -12.189 1.00 51.45 H new ATOM 0 HG22 VAL A 48 8.667 3.566 -12.598 1.00 51.45 H new ATOM 0 HG23 VAL A 48 9.087 3.006 -10.962 1.00 51.45 H new ATOM 758 N ASN A 49 4.415 5.193 -10.852 1.00 63.31 N ATOM 759 CA ASN A 49 3.041 5.269 -10.418 1.00 3.31 C ATOM 760 C ASN A 49 2.214 4.632 -11.483 1.00 23.02 C ATOM 761 O ASN A 49 2.358 4.963 -12.658 1.00 3.52 O ATOM 762 CB ASN A 49 2.584 6.717 -10.079 1.00 33.22 C ATOM 763 CG ASN A 49 2.565 7.681 -11.264 1.00 73.15 C ATOM 764 OD1 ASN A 49 3.562 8.302 -11.582 1.00 74.43 O ATOM 765 ND2 ASN A 49 1.419 7.848 -11.891 1.00 2.12 N ATOM 0 H ASN A 49 4.601 5.693 -11.721 1.00 63.31 H new ATOM 0 HA ASN A 49 2.918 4.736 -9.475 1.00 3.31 H new ATOM 0 HB2 ASN A 49 1.584 6.675 -9.648 1.00 33.22 H new ATOM 0 HB3 ASN A 49 3.245 7.121 -9.312 1.00 33.22 H new ATOM 0 HD21 ASN A 49 1.352 8.511 -12.663 1.00 2.12 H new ATOM 0 HD22 ASN A 49 0.598 7.315 -11.604 1.00 2.12 H new ATOM 772 N LYS A 50 1.396 3.701 -11.139 1.00 60.13 N ATOM 773 CA LYS A 50 0.691 2.994 -12.161 1.00 13.11 C ATOM 774 C LYS A 50 -0.766 2.954 -11.872 1.00 32.42 C ATOM 775 O LYS A 50 -1.180 2.858 -10.712 1.00 24.32 O ATOM 776 CB LYS A 50 1.158 1.554 -12.129 1.00 55.00 C ATOM 777 CG LYS A 50 2.655 1.390 -12.033 1.00 0.24 C ATOM 778 CD LYS A 50 3.061 -0.017 -11.644 1.00 63.03 C ATOM 779 CE LYS A 50 2.663 -1.032 -12.680 1.00 55.53 C ATOM 780 NZ LYS A 50 1.270 -1.548 -12.522 1.00 62.41 N ATOM 0 H LYS A 50 1.197 3.412 -10.181 1.00 60.13 H new ATOM 0 HA LYS A 50 0.874 3.489 -13.115 1.00 13.11 H new ATOM 0 HB2 LYS A 50 0.694 1.052 -11.280 1.00 55.00 H new ATOM 0 HB3 LYS A 50 0.806 1.050 -13.029 1.00 55.00 H new ATOM 0 HG2 LYS A 50 3.107 1.643 -12.992 1.00 0.24 H new ATOM 0 HG3 LYS A 50 3.048 2.094 -11.300 1.00 0.24 H new ATOM 0 HD2 LYS A 50 4.141 -0.054 -11.498 1.00 63.03 H new ATOM 0 HD3 LYS A 50 2.601 -0.275 -10.690 1.00 63.03 H new ATOM 0 HE2 LYS A 50 2.764 -0.585 -13.669 1.00 55.53 H new ATOM 0 HE3 LYS A 50 3.357 -1.871 -12.637 1.00 55.53 H new ATOM 0 HZ1 LYS A 50 1.198 -2.492 -12.953 1.00 62.41 H new ATOM 0 HZ2 LYS A 50 1.036 -1.611 -11.511 1.00 62.41 H new ATOM 0 HZ3 LYS A 50 0.605 -0.901 -12.992 1.00 62.41 H new ATOM 794 N ASN A 51 -1.535 3.060 -12.896 1.00 5.04 N ATOM 795 CA ASN A 51 -2.914 2.722 -12.833 1.00 30.43 C ATOM 796 C ASN A 51 -3.064 1.486 -13.692 1.00 14.43 C ATOM 797 O ASN A 51 -2.366 1.371 -14.698 1.00 52.41 O ATOM 798 CB ASN A 51 -3.850 3.869 -13.285 1.00 22.43 C ATOM 799 CG ASN A 51 -3.825 4.152 -14.781 1.00 31.41 C ATOM 800 OD1 ASN A 51 -4.602 3.594 -15.532 1.00 64.35 O ATOM 801 ND2 ASN A 51 -2.949 5.032 -15.212 1.00 45.55 N ATOM 0 H ASN A 51 -1.223 3.387 -13.810 1.00 5.04 H new ATOM 0 HA ASN A 51 -3.218 2.538 -11.803 1.00 30.43 H new ATOM 0 HB2 ASN A 51 -4.871 3.625 -12.991 1.00 22.43 H new ATOM 0 HB3 ASN A 51 -3.573 4.778 -12.751 1.00 22.43 H new ATOM 0 HD21 ASN A 51 -2.906 5.265 -16.204 1.00 45.55 H new ATOM 0 HD22 ASN A 51 -2.312 5.481 -14.554 1.00 45.55 H new ATOM 808 N ASN A 52 -3.875 0.565 -13.302 1.00 15.32 N ATOM 809 CA ASN A 52 -4.107 -0.617 -14.102 1.00 23.04 C ATOM 810 C ASN A 52 -5.589 -0.645 -14.464 1.00 54.45 C ATOM 811 O ASN A 52 -6.141 -1.654 -14.892 1.00 64.34 O ATOM 812 CB ASN A 52 -3.707 -1.900 -13.326 1.00 41.05 C ATOM 813 CG ASN A 52 -2.225 -1.972 -12.888 1.00 32.32 C ATOM 814 OD1 ASN A 52 -1.313 -1.432 -13.536 1.00 23.24 O ATOM 815 ND2 ASN A 52 -1.975 -2.631 -11.776 1.00 60.41 N ATOM 0 H ASN A 52 -4.400 0.596 -12.428 1.00 15.32 H new ATOM 0 HA ASN A 52 -3.496 -0.586 -15.004 1.00 23.04 H new ATOM 0 HB2 ASN A 52 -4.335 -1.979 -12.439 1.00 41.05 H new ATOM 0 HB3 ASN A 52 -3.927 -2.766 -13.950 1.00 41.05 H new ATOM 0 HD21 ASN A 52 -1.018 -2.705 -11.431 1.00 60.41 H new ATOM 0 HD22 ASN A 52 -2.738 -3.067 -11.259 1.00 60.41 H new ATOM 822 N GLY A 53 -6.242 0.497 -14.244 1.00 43.24 N ATOM 823 CA GLY A 53 -7.648 0.665 -14.563 1.00 40.44 C ATOM 824 C GLY A 53 -8.493 0.342 -13.387 1.00 11.51 C ATOM 825 O GLY A 53 -9.262 1.173 -12.848 1.00 73.03 O ATOM 0 H GLY A 53 -5.806 1.326 -13.840 1.00 43.24 H new ATOM 0 HA2 GLY A 53 -7.834 1.691 -14.881 1.00 40.44 H new ATOM 0 HA3 GLY A 53 -7.916 0.019 -15.399 1.00 40.44 H new ATOM 829 N THR A 54 -8.369 -0.851 -13.003 1.00 35.32 N ATOM 830 CA THR A 54 -9.028 -1.379 -11.908 1.00 33.32 C ATOM 831 C THR A 54 -8.261 -1.035 -10.663 1.00 74.44 C ATOM 832 O THR A 54 -8.818 -0.544 -9.696 1.00 24.35 O ATOM 833 CB THR A 54 -9.079 -2.881 -12.099 1.00 2.40 C ATOM 834 OG1 THR A 54 -9.619 -3.158 -13.398 1.00 53.42 O ATOM 835 CG2 THR A 54 -9.944 -3.491 -11.073 1.00 21.21 C ATOM 0 H THR A 54 -7.767 -1.524 -13.476 1.00 35.32 H new ATOM 0 HA THR A 54 -10.037 -0.976 -11.814 1.00 33.32 H new ATOM 0 HB THR A 54 -8.075 -3.296 -12.008 1.00 2.40 H new ATOM 0 HG1 THR A 54 -9.657 -4.127 -13.537 1.00 53.42 H new ATOM 0 HG21 THR A 54 -9.975 -4.571 -11.218 1.00 21.21 H new ATOM 0 HG22 THR A 54 -9.546 -3.269 -10.083 1.00 21.21 H new ATOM 0 HG23 THR A 54 -10.952 -3.085 -11.158 1.00 21.21 H new ATOM 843 N ASP A 55 -7.008 -1.189 -10.731 1.00 22.21 N ATOM 844 CA ASP A 55 -6.192 -1.057 -9.591 1.00 32.30 C ATOM 845 C ASP A 55 -5.125 -0.037 -9.799 1.00 61.40 C ATOM 846 O ASP A 55 -4.914 0.419 -10.906 1.00 74.21 O ATOM 847 CB ASP A 55 -5.651 -2.423 -9.176 1.00 31.24 C ATOM 848 CG ASP A 55 -4.871 -3.167 -10.222 1.00 42.43 C ATOM 849 OD1 ASP A 55 -5.434 -3.474 -11.268 1.00 72.14 O ATOM 850 OD2 ASP A 55 -3.699 -3.518 -9.964 1.00 44.13 O ATOM 0 H ASP A 55 -6.505 -1.414 -11.589 1.00 22.21 H new ATOM 0 HA ASP A 55 -6.793 -0.684 -8.761 1.00 32.30 H new ATOM 0 HB2 ASP A 55 -5.013 -2.289 -8.302 1.00 31.24 H new ATOM 0 HB3 ASP A 55 -6.490 -3.045 -8.866 1.00 31.24 H new ATOM 855 N ALA A 56 -4.525 0.384 -8.737 1.00 31.41 N ATOM 856 CA ALA A 56 -3.486 1.368 -8.786 1.00 10.22 C ATOM 857 C ALA A 56 -2.316 0.846 -8.011 1.00 55.04 C ATOM 858 O ALA A 56 -2.492 0.160 -6.993 1.00 43.25 O ATOM 859 CB ALA A 56 -3.970 2.697 -8.252 1.00 71.14 C ATOM 0 H ALA A 56 -4.742 0.053 -7.797 1.00 31.41 H new ATOM 0 HA ALA A 56 -3.184 1.547 -9.818 1.00 10.22 H new ATOM 0 HB1 ALA A 56 -3.161 3.425 -8.301 1.00 71.14 H new ATOM 0 HB2 ALA A 56 -4.810 3.047 -8.853 1.00 71.14 H new ATOM 0 HB3 ALA A 56 -4.289 2.579 -7.217 1.00 71.14 H new ATOM 865 N GLU A 57 -1.145 1.155 -8.461 1.00 40.11 N ATOM 866 CA GLU A 57 0.022 0.525 -7.937 1.00 53.35 C ATOM 867 C GLU A 57 1.174 1.531 -7.924 1.00 13.41 C ATOM 868 O GLU A 57 1.508 2.100 -8.950 1.00 64.10 O ATOM 869 CB GLU A 57 0.275 -0.647 -8.890 1.00 5.41 C ATOM 870 CG GLU A 57 1.032 -1.817 -8.355 1.00 35.22 C ATOM 871 CD GLU A 57 0.704 -3.026 -9.197 1.00 51.43 C ATOM 872 OE1 GLU A 57 1.080 -3.035 -10.394 1.00 43.12 O ATOM 873 OE2 GLU A 57 -0.022 -3.926 -8.703 1.00 61.41 O ATOM 0 H GLU A 57 -0.970 1.843 -9.194 1.00 40.11 H new ATOM 0 HA GLU A 57 -0.083 0.175 -6.910 1.00 53.35 H new ATOM 0 HB2 GLU A 57 -0.691 -1.005 -9.247 1.00 5.41 H new ATOM 0 HB3 GLU A 57 0.814 -0.265 -9.757 1.00 5.41 H new ATOM 0 HG2 GLU A 57 2.103 -1.618 -8.379 1.00 35.22 H new ATOM 0 HG3 GLU A 57 0.765 -1.997 -7.314 1.00 35.22 H new ATOM 880 N ILE A 58 1.729 1.792 -6.766 1.00 13.33 N ATOM 881 CA ILE A 58 2.819 2.710 -6.638 1.00 41.13 C ATOM 882 C ILE A 58 4.076 2.012 -6.188 1.00 13.24 C ATOM 883 O ILE A 58 4.058 1.227 -5.229 1.00 20.24 O ATOM 884 CB ILE A 58 2.528 3.953 -5.748 1.00 11.32 C ATOM 885 CG1 ILE A 58 1.778 3.638 -4.417 1.00 31.24 C ATOM 886 CG2 ILE A 58 1.830 5.050 -6.541 1.00 2.44 C ATOM 887 CD1 ILE A 58 0.275 3.423 -4.553 1.00 71.11 C ATOM 0 H ILE A 58 1.432 1.369 -5.887 1.00 13.33 H new ATOM 0 HA ILE A 58 2.966 3.104 -7.644 1.00 41.13 H new ATOM 0 HB ILE A 58 3.507 4.318 -5.437 1.00 11.32 H new ATOM 0 HG12 ILE A 58 2.218 2.745 -3.974 1.00 31.24 H new ATOM 0 HG13 ILE A 58 1.950 4.458 -3.719 1.00 31.24 H new ATOM 0 HG21 ILE A 58 1.641 5.904 -5.891 1.00 2.44 H new ATOM 0 HG22 ILE A 58 2.465 5.359 -7.371 1.00 2.44 H new ATOM 0 HG23 ILE A 58 0.884 4.673 -6.929 1.00 2.44 H new ATOM 0 HD11 ILE A 58 -0.152 3.211 -3.573 1.00 71.11 H new ATOM 0 HD12 ILE A 58 -0.186 4.322 -4.963 1.00 71.11 H new ATOM 0 HD13 ILE A 58 0.087 2.582 -5.221 1.00 71.11 H new ATOM 899 N VAL A 59 5.155 2.284 -6.894 1.00 12.12 N ATOM 900 CA VAL A 59 6.422 1.643 -6.646 1.00 55.15 C ATOM 901 C VAL A 59 7.508 2.685 -6.390 1.00 42.43 C ATOM 902 O VAL A 59 7.702 3.606 -7.191 1.00 12.30 O ATOM 903 CB VAL A 59 6.875 0.788 -7.877 1.00 45.23 C ATOM 904 CG1 VAL A 59 8.126 -0.024 -7.554 1.00 53.14 C ATOM 905 CG2 VAL A 59 5.763 -0.114 -8.397 1.00 15.41 C ATOM 0 H VAL A 59 5.173 2.959 -7.658 1.00 12.12 H new ATOM 0 HA VAL A 59 6.288 1.002 -5.774 1.00 55.15 H new ATOM 0 HB VAL A 59 7.117 1.490 -8.675 1.00 45.23 H new ATOM 0 HG11 VAL A 59 8.417 -0.607 -8.428 1.00 53.14 H new ATOM 0 HG12 VAL A 59 8.938 0.651 -7.282 1.00 53.14 H new ATOM 0 HG13 VAL A 59 7.919 -0.696 -6.721 1.00 53.14 H new ATOM 0 HG21 VAL A 59 6.127 -0.686 -9.250 1.00 15.41 H new ATOM 0 HG22 VAL A 59 5.451 -0.798 -7.608 1.00 15.41 H new ATOM 0 HG23 VAL A 59 4.914 0.496 -8.705 1.00 15.41 H new ATOM 915 N SER A 60 8.160 2.563 -5.286 1.00 31.41 N ATOM 916 CA SER A 60 9.335 3.318 -4.985 1.00 21.14 C ATOM 917 C SER A 60 10.464 2.307 -4.841 1.00 35.13 C ATOM 918 O SER A 60 10.228 1.181 -4.383 1.00 1.43 O ATOM 919 CB SER A 60 9.162 4.142 -3.703 1.00 21.12 C ATOM 920 OG SER A 60 10.324 4.884 -3.434 1.00 33.43 O ATOM 0 H SER A 60 7.886 1.918 -4.545 1.00 31.41 H new ATOM 0 HA SER A 60 9.548 4.038 -5.776 1.00 21.14 H new ATOM 0 HB2 SER A 60 8.310 4.814 -3.808 1.00 21.12 H new ATOM 0 HB3 SER A 60 8.944 3.480 -2.865 1.00 21.12 H new ATOM 0 HG SER A 60 10.519 5.473 -4.192 1.00 33.43 H new ATOM 926 N ALA A 61 11.648 2.663 -5.237 1.00 23.41 N ATOM 927 CA ALA A 61 12.746 1.721 -5.230 1.00 53.41 C ATOM 928 C ALA A 61 14.012 2.361 -4.721 1.00 3.35 C ATOM 929 O ALA A 61 14.150 3.581 -4.743 1.00 21.23 O ATOM 930 CB ALA A 61 12.962 1.146 -6.624 1.00 3.54 C ATOM 0 H ALA A 61 11.887 3.597 -5.571 1.00 23.41 H new ATOM 0 HA ALA A 61 12.487 0.908 -4.552 1.00 53.41 H new ATOM 0 HB1 ALA A 61 13.791 0.439 -6.602 1.00 3.54 H new ATOM 0 HB2 ALA A 61 12.057 0.633 -6.950 1.00 3.54 H new ATOM 0 HB3 ALA A 61 13.192 1.954 -7.319 1.00 3.54 H new ATOM 936 N SER A 62 14.917 1.536 -4.263 1.00 51.13 N ATOM 937 CA SER A 62 16.179 1.976 -3.769 1.00 14.00 C ATOM 938 C SER A 62 17.237 1.618 -4.796 1.00 72.42 C ATOM 939 O SER A 62 17.086 0.636 -5.540 1.00 52.14 O ATOM 940 CB SER A 62 16.474 1.267 -2.444 1.00 75.54 C ATOM 941 OG SER A 62 17.671 1.726 -1.829 1.00 41.24 O ATOM 0 H SER A 62 14.788 0.525 -4.226 1.00 51.13 H new ATOM 0 HA SER A 62 16.174 3.053 -3.600 1.00 14.00 H new ATOM 0 HB2 SER A 62 15.638 1.420 -1.761 1.00 75.54 H new ATOM 0 HB3 SER A 62 16.550 0.194 -2.620 1.00 75.54 H new ATOM 0 HG SER A 62 17.477 2.017 -0.914 1.00 41.24 H new ATOM 947 N ASP A 63 18.267 2.412 -4.855 1.00 71.42 N ATOM 948 CA ASP A 63 19.389 2.189 -5.746 1.00 65.33 C ATOM 949 C ASP A 63 20.373 1.238 -5.096 1.00 73.13 C ATOM 950 O ASP A 63 21.032 0.445 -5.770 1.00 33.15 O ATOM 951 CB ASP A 63 20.087 3.523 -6.021 1.00 32.01 C ATOM 952 CG ASP A 63 20.526 4.186 -4.723 1.00 54.14 C ATOM 953 OD1 ASP A 63 19.659 4.796 -4.059 1.00 53.24 O ATOM 954 OD2 ASP A 63 21.697 4.034 -4.330 1.00 34.02 O ATOM 0 H ASP A 63 18.361 3.249 -4.279 1.00 71.42 H new ATOM 0 HA ASP A 63 19.030 1.759 -6.681 1.00 65.33 H new ATOM 0 HB2 ASP A 63 20.954 3.359 -6.661 1.00 32.01 H new ATOM 0 HB3 ASP A 63 19.412 4.186 -6.562 1.00 32.01 H new ATOM 959 N SER A 64 20.427 1.282 -3.790 1.00 54.41 N ATOM 960 CA SER A 64 21.332 0.463 -3.059 1.00 41.54 C ATOM 961 C SER A 64 20.646 -0.847 -2.706 1.00 65.12 C ATOM 962 O SER A 64 21.218 -1.940 -2.849 1.00 34.54 O ATOM 963 CB SER A 64 21.809 1.210 -1.812 1.00 44.35 C ATOM 964 OG SER A 64 22.463 2.438 -2.158 1.00 44.52 O ATOM 0 H SER A 64 19.843 1.888 -3.213 1.00 54.41 H new ATOM 0 HA SER A 64 22.210 0.234 -3.663 1.00 41.54 H new ATOM 0 HB2 SER A 64 20.958 1.419 -1.163 1.00 44.35 H new ATOM 0 HB3 SER A 64 22.494 0.578 -1.247 1.00 44.35 H new ATOM 0 HG SER A 64 22.065 2.802 -2.976 1.00 44.52 H new ATOM 970 N ASP A 65 19.406 -0.751 -2.295 1.00 61.53 N ATOM 971 CA ASP A 65 18.648 -1.926 -1.984 1.00 41.42 C ATOM 972 C ASP A 65 17.821 -2.343 -3.160 1.00 44.52 C ATOM 973 O ASP A 65 16.719 -1.846 -3.369 1.00 61.01 O ATOM 974 CB ASP A 65 17.729 -1.741 -0.800 1.00 52.51 C ATOM 975 CG ASP A 65 18.381 -1.786 0.549 1.00 65.33 C ATOM 976 OD1 ASP A 65 18.460 -2.880 1.131 1.00 30.53 O ATOM 977 OD2 ASP A 65 18.700 -0.727 1.117 1.00 43.33 O ATOM 0 H ASP A 65 18.905 0.129 -2.170 1.00 61.53 H new ATOM 0 HA ASP A 65 19.379 -2.694 -1.731 1.00 41.42 H new ATOM 0 HB2 ASP A 65 17.222 -0.782 -0.905 1.00 52.51 H new ATOM 0 HB3 ASP A 65 16.961 -2.514 -0.837 1.00 52.51 H new ATOM 982 N SER A 66 18.349 -3.247 -3.929 1.00 4.03 N ATOM 983 CA SER A 66 17.652 -3.786 -5.075 1.00 5.21 C ATOM 984 C SER A 66 16.405 -4.596 -4.647 1.00 43.01 C ATOM 985 O SER A 66 15.445 -4.709 -5.405 1.00 34.32 O ATOM 986 CB SER A 66 18.615 -4.651 -5.908 1.00 40.12 C ATOM 987 OG SER A 66 17.990 -5.185 -7.063 1.00 3.05 O ATOM 0 H SER A 66 19.280 -3.638 -3.785 1.00 4.03 H new ATOM 0 HA SER A 66 17.301 -2.957 -5.690 1.00 5.21 H new ATOM 0 HB2 SER A 66 19.475 -4.051 -6.206 1.00 40.12 H new ATOM 0 HB3 SER A 66 18.994 -5.466 -5.292 1.00 40.12 H new ATOM 0 HG SER A 66 18.636 -5.726 -7.564 1.00 3.05 H new ATOM 993 N THR A 67 16.415 -5.142 -3.440 1.00 44.31 N ATOM 994 CA THR A 67 15.294 -5.943 -2.997 1.00 21.54 C ATOM 995 C THR A 67 14.393 -5.166 -2.018 1.00 43.13 C ATOM 996 O THR A 67 13.231 -5.547 -1.788 1.00 45.11 O ATOM 997 CB THR A 67 15.762 -7.303 -2.372 1.00 63.14 C ATOM 998 OG1 THR A 67 14.631 -8.148 -2.081 1.00 45.20 O ATOM 999 CG2 THR A 67 16.569 -7.082 -1.093 1.00 12.13 C ATOM 0 H THR A 67 17.173 -5.046 -2.764 1.00 44.31 H new ATOM 0 HA THR A 67 14.701 -6.175 -3.882 1.00 21.54 H new ATOM 0 HB THR A 67 16.400 -7.792 -3.108 1.00 63.14 H new ATOM 0 HG1 THR A 67 14.944 -8.992 -1.693 1.00 45.20 H new ATOM 0 HG21 THR A 67 16.877 -8.045 -0.686 1.00 12.13 H new ATOM 0 HG22 THR A 67 17.452 -6.484 -1.319 1.00 12.13 H new ATOM 0 HG23 THR A 67 15.954 -6.559 -0.361 1.00 12.13 H new ATOM 1007 N ASP A 68 14.889 -4.063 -1.485 1.00 21.41 N ATOM 1008 CA ASP A 68 14.111 -3.300 -0.528 1.00 54.43 C ATOM 1009 C ASP A 68 13.488 -2.142 -1.250 1.00 0.24 C ATOM 1010 O ASP A 68 14.110 -1.092 -1.451 1.00 43.22 O ATOM 1011 CB ASP A 68 14.960 -2.804 0.653 1.00 73.25 C ATOM 1012 CG ASP A 68 14.158 -2.275 1.826 1.00 12.45 C ATOM 1013 OD1 ASP A 68 13.090 -1.695 1.644 1.00 5.22 O ATOM 1014 OD2 ASP A 68 14.606 -2.453 2.988 1.00 21.21 O ATOM 0 H ASP A 68 15.811 -3.681 -1.695 1.00 21.41 H new ATOM 0 HA ASP A 68 13.344 -3.948 -0.104 1.00 54.43 H new ATOM 0 HB2 ASP A 68 15.590 -3.623 1.000 1.00 73.25 H new ATOM 0 HB3 ASP A 68 15.626 -2.017 0.300 1.00 73.25 H new ATOM 1019 N SER A 69 12.314 -2.365 -1.704 1.00 31.24 N ATOM 1020 CA SER A 69 11.577 -1.399 -2.413 1.00 31.23 C ATOM 1021 C SER A 69 10.196 -1.297 -1.804 1.00 51.31 C ATOM 1022 O SER A 69 9.715 -2.251 -1.160 1.00 50.14 O ATOM 1023 CB SER A 69 11.532 -1.794 -3.894 1.00 2.24 C ATOM 1024 OG SER A 69 11.225 -3.185 -4.050 1.00 13.24 O ATOM 0 H SER A 69 11.826 -3.253 -1.588 1.00 31.24 H new ATOM 0 HA SER A 69 12.045 -0.417 -2.347 1.00 31.23 H new ATOM 0 HB2 SER A 69 10.783 -1.193 -4.411 1.00 2.24 H new ATOM 0 HB3 SER A 69 12.493 -1.576 -4.361 1.00 2.24 H new ATOM 0 HG SER A 69 11.201 -3.410 -5.004 1.00 13.24 H new ATOM 1030 N LEU A 70 9.578 -0.173 -1.964 1.00 55.54 N ATOM 1031 CA LEU A 70 8.280 0.039 -1.425 1.00 25.12 C ATOM 1032 C LEU A 70 7.298 -0.052 -2.573 1.00 62.42 C ATOM 1033 O LEU A 70 7.292 0.789 -3.462 1.00 51.42 O ATOM 1034 CB LEU A 70 8.222 1.434 -0.729 1.00 11.43 C ATOM 1035 CG LEU A 70 6.988 1.784 0.162 1.00 61.54 C ATOM 1036 CD1 LEU A 70 5.685 1.797 -0.619 1.00 55.32 C ATOM 1037 CD2 LEU A 70 6.892 0.835 1.351 1.00 61.31 C ATOM 0 H LEU A 70 9.961 0.623 -2.473 1.00 55.54 H new ATOM 0 HA LEU A 70 8.032 -0.708 -0.671 1.00 25.12 H new ATOM 0 HB2 LEU A 70 9.113 1.530 -0.109 1.00 11.43 H new ATOM 0 HB3 LEU A 70 8.292 2.194 -1.508 1.00 11.43 H new ATOM 0 HG LEU A 70 7.146 2.798 0.530 1.00 61.54 H new ATOM 0 HD11 LEU A 70 4.862 2.046 0.051 1.00 55.32 H new ATOM 0 HD12 LEU A 70 5.744 2.541 -1.413 1.00 55.32 H new ATOM 0 HD13 LEU A 70 5.513 0.813 -1.056 1.00 55.32 H new ATOM 0 HD21 LEU A 70 6.025 1.098 1.957 1.00 61.31 H new ATOM 0 HD22 LEU A 70 6.787 -0.189 0.992 1.00 61.31 H new ATOM 0 HD23 LEU A 70 7.796 0.916 1.955 1.00 61.31 H new ATOM 1049 N GLN A 71 6.502 -1.062 -2.563 1.00 32.11 N ATOM 1050 CA GLN A 71 5.487 -1.223 -3.554 1.00 61.04 C ATOM 1051 C GLN A 71 4.178 -1.485 -2.866 1.00 44.33 C ATOM 1052 O GLN A 71 4.079 -2.383 -2.019 1.00 21.34 O ATOM 1053 CB GLN A 71 5.836 -2.352 -4.529 1.00 34.42 C ATOM 1054 CG GLN A 71 4.788 -2.607 -5.600 1.00 71.22 C ATOM 1055 CD GLN A 71 5.186 -3.723 -6.542 1.00 31.12 C ATOM 1056 OE1 GLN A 71 6.365 -3.968 -6.774 1.00 10.44 O ATOM 1057 NE2 GLN A 71 4.213 -4.396 -7.100 1.00 61.54 N ATOM 0 H GLN A 71 6.533 -1.806 -1.866 1.00 32.11 H new ATOM 0 HA GLN A 71 5.410 -0.310 -4.144 1.00 61.04 H new ATOM 0 HB2 GLN A 71 6.783 -2.116 -5.014 1.00 34.42 H new ATOM 0 HB3 GLN A 71 5.989 -3.270 -3.962 1.00 34.42 H new ATOM 0 HG2 GLN A 71 3.840 -2.857 -5.124 1.00 71.22 H new ATOM 0 HG3 GLN A 71 4.626 -1.693 -6.171 1.00 71.22 H new ATOM 0 HE21 GLN A 71 3.243 -4.165 -6.884 1.00 61.54 H new ATOM 0 HE22 GLN A 71 4.424 -5.152 -7.751 1.00 61.54 H new ATOM 1066 N VAL A 72 3.212 -0.677 -3.166 1.00 13.35 N ATOM 1067 CA VAL A 72 1.903 -0.836 -2.615 1.00 2.33 C ATOM 1068 C VAL A 72 0.924 -0.926 -3.751 1.00 53.11 C ATOM 1069 O VAL A 72 0.877 -0.044 -4.622 1.00 64.21 O ATOM 1070 CB VAL A 72 1.510 0.329 -1.663 1.00 44.21 C ATOM 1071 CG1 VAL A 72 0.112 0.130 -1.127 1.00 31.35 C ATOM 1072 CG2 VAL A 72 2.479 0.427 -0.508 1.00 15.25 C ATOM 0 H VAL A 72 3.308 0.115 -3.802 1.00 13.35 H new ATOM 0 HA VAL A 72 1.890 -1.745 -2.014 1.00 2.33 H new ATOM 0 HB VAL A 72 1.546 1.254 -2.238 1.00 44.21 H new ATOM 0 HG11 VAL A 72 -0.144 0.956 -0.463 1.00 31.35 H new ATOM 0 HG12 VAL A 72 -0.595 0.099 -1.956 1.00 31.35 H new ATOM 0 HG13 VAL A 72 0.064 -0.808 -0.574 1.00 31.35 H new ATOM 0 HG21 VAL A 72 2.185 1.249 0.145 1.00 15.25 H new ATOM 0 HG22 VAL A 72 2.469 -0.506 0.056 1.00 15.25 H new ATOM 0 HG23 VAL A 72 3.483 0.609 -0.890 1.00 15.25 H new ATOM 1082 N ALA A 73 0.181 -1.982 -3.765 1.00 25.21 N ATOM 1083 CA ALA A 73 -0.776 -2.217 -4.788 1.00 40.42 C ATOM 1084 C ALA A 73 -2.165 -2.227 -4.203 1.00 73.43 C ATOM 1085 O ALA A 73 -2.440 -2.957 -3.248 1.00 4.03 O ATOM 1086 CB ALA A 73 -0.467 -3.516 -5.493 1.00 24.41 C ATOM 0 H ALA A 73 0.224 -2.714 -3.056 1.00 25.21 H new ATOM 0 HA ALA A 73 -0.727 -1.413 -5.523 1.00 40.42 H new ATOM 0 HB1 ALA A 73 -1.205 -3.689 -6.276 1.00 24.41 H new ATOM 0 HB2 ALA A 73 0.527 -3.462 -5.937 1.00 24.41 H new ATOM 0 HB3 ALA A 73 -0.500 -4.336 -4.776 1.00 24.41 H new ATOM 1092 N MET A 74 -3.024 -1.432 -4.768 1.00 11.25 N ATOM 1093 CA MET A 74 -4.386 -1.294 -4.303 1.00 52.42 C ATOM 1094 C MET A 74 -5.282 -1.774 -5.391 1.00 1.32 C ATOM 1095 O MET A 74 -5.234 -1.239 -6.482 1.00 52.35 O ATOM 1096 CB MET A 74 -4.693 0.186 -4.066 1.00 3.25 C ATOM 1097 CG MET A 74 -3.783 0.869 -3.073 1.00 70.12 C ATOM 1098 SD MET A 74 -4.056 2.643 -2.975 1.00 72.34 S ATOM 1099 CE MET A 74 -3.453 3.160 -4.568 1.00 71.04 C ATOM 0 H MET A 74 -2.803 -0.850 -5.576 1.00 11.25 H new ATOM 0 HA MET A 74 -4.529 -1.858 -3.381 1.00 52.42 H new ATOM 0 HB2 MET A 74 -4.630 0.713 -5.018 1.00 3.25 H new ATOM 0 HB3 MET A 74 -5.722 0.278 -3.718 1.00 3.25 H new ATOM 0 HG2 MET A 74 -3.934 0.429 -2.087 1.00 70.12 H new ATOM 0 HG3 MET A 74 -2.746 0.681 -3.350 1.00 70.12 H new ATOM 0 HE1 MET A 74 -3.054 4.172 -4.495 1.00 71.04 H new ATOM 0 HE2 MET A 74 -2.665 2.482 -4.896 1.00 71.04 H new ATOM 0 HE3 MET A 74 -4.270 3.143 -5.289 1.00 71.04 H new ATOM 1109 N LYS A 75 -6.082 -2.766 -5.119 1.00 71.20 N ATOM 1110 CA LYS A 75 -6.965 -3.284 -6.116 1.00 2.12 C ATOM 1111 C LYS A 75 -8.444 -3.215 -5.786 1.00 62.42 C ATOM 1112 O LYS A 75 -8.863 -3.454 -4.654 1.00 65.12 O ATOM 1113 CB LYS A 75 -6.461 -4.583 -6.766 1.00 14.51 C ATOM 1114 CG LYS A 75 -5.564 -5.484 -5.925 1.00 34.31 C ATOM 1115 CD LYS A 75 -4.366 -5.945 -6.792 1.00 43.33 C ATOM 1116 CE LYS A 75 -3.377 -4.779 -7.060 1.00 55.34 C ATOM 1117 NZ LYS A 75 -2.444 -5.024 -8.213 1.00 32.40 N ATOM 0 H LYS A 75 -6.138 -3.230 -4.213 1.00 71.20 H new ATOM 0 HA LYS A 75 -6.917 -2.561 -6.931 1.00 2.12 H new ATOM 0 HB2 LYS A 75 -7.330 -5.165 -7.074 1.00 14.51 H new ATOM 0 HB3 LYS A 75 -5.917 -4.317 -7.673 1.00 14.51 H new ATOM 0 HG2 LYS A 75 -5.209 -4.948 -5.045 1.00 34.31 H new ATOM 0 HG3 LYS A 75 -6.125 -6.347 -5.567 1.00 34.31 H new ATOM 0 HD2 LYS A 75 -3.843 -6.759 -6.289 1.00 43.33 H new ATOM 0 HD3 LYS A 75 -4.732 -6.339 -7.740 1.00 43.33 H new ATOM 0 HE2 LYS A 75 -3.946 -3.870 -7.253 1.00 55.34 H new ATOM 0 HE3 LYS A 75 -2.788 -4.601 -6.160 1.00 55.34 H new ATOM 0 HZ1 LYS A 75 -1.518 -4.597 -8.007 1.00 32.40 H new ATOM 0 HZ2 LYS A 75 -2.330 -6.048 -8.355 1.00 32.40 H new ATOM 0 HZ3 LYS A 75 -2.838 -4.596 -9.075 1.00 32.40 H new ATOM 1131 N LYS A 76 -9.198 -2.878 -6.814 1.00 43.44 N ATOM 1132 CA LYS A 76 -10.608 -2.522 -6.751 1.00 30.21 C ATOM 1133 C LYS A 76 -11.523 -3.720 -6.713 1.00 31.43 C ATOM 1134 O LYS A 76 -11.438 -4.612 -7.553 1.00 22.55 O ATOM 1135 CB LYS A 76 -10.955 -1.729 -7.990 1.00 51.23 C ATOM 1136 CG LYS A 76 -12.325 -1.048 -8.004 1.00 20.10 C ATOM 1137 CD LYS A 76 -12.571 -0.421 -9.375 1.00 24.12 C ATOM 1138 CE LYS A 76 -11.580 0.694 -9.635 1.00 2.44 C ATOM 1139 NZ LYS A 76 -11.631 1.209 -11.036 1.00 75.25 N ATOM 0 H LYS A 76 -8.829 -2.842 -7.764 1.00 43.44 H new ATOM 0 HA LYS A 76 -10.753 -1.957 -5.830 1.00 30.21 H new ATOM 0 HB2 LYS A 76 -10.192 -0.963 -8.130 1.00 51.23 H new ATOM 0 HB3 LYS A 76 -10.897 -2.397 -8.850 1.00 51.23 H new ATOM 0 HG2 LYS A 76 -13.106 -1.775 -7.780 1.00 20.10 H new ATOM 0 HG3 LYS A 76 -12.370 -0.282 -7.229 1.00 20.10 H new ATOM 0 HD2 LYS A 76 -12.483 -1.182 -10.150 1.00 24.12 H new ATOM 0 HD3 LYS A 76 -13.588 -0.031 -9.426 1.00 24.12 H new ATOM 0 HE2 LYS A 76 -11.777 1.515 -8.945 1.00 2.44 H new ATOM 0 HE3 LYS A 76 -10.573 0.334 -9.423 1.00 2.44 H new ATOM 0 HZ1 LYS A 76 -10.695 1.108 -11.477 1.00 75.25 H new ATOM 0 HZ2 LYS A 76 -12.331 0.666 -11.580 1.00 75.25 H new ATOM 0 HZ3 LYS A 76 -11.903 2.213 -11.027 1.00 75.25 H new ATOM 1153 N LEU A 77 -12.380 -3.721 -5.752 1.00 73.55 N ATOM 1154 CA LEU A 77 -13.433 -4.708 -5.666 1.00 51.35 C ATOM 1155 C LEU A 77 -14.757 -4.024 -5.969 1.00 5.23 C ATOM 1156 O LEU A 77 -14.997 -2.902 -5.501 1.00 24.25 O ATOM 1157 CB LEU A 77 -13.499 -5.427 -4.294 1.00 51.55 C ATOM 1158 CG LEU A 77 -12.425 -6.493 -3.979 1.00 52.23 C ATOM 1159 CD1 LEU A 77 -12.400 -7.588 -5.036 1.00 11.41 C ATOM 1160 CD2 LEU A 77 -11.051 -5.886 -3.794 1.00 62.42 C ATOM 0 H LEU A 77 -12.382 -3.039 -4.993 1.00 73.55 H new ATOM 0 HA LEU A 77 -13.217 -5.488 -6.396 1.00 51.35 H new ATOM 0 HB2 LEU A 77 -13.451 -4.665 -3.516 1.00 51.55 H new ATOM 0 HB3 LEU A 77 -14.476 -5.904 -4.214 1.00 51.55 H new ATOM 0 HG LEU A 77 -12.706 -6.948 -3.029 1.00 52.23 H new ATOM 0 HD11 LEU A 77 -11.633 -8.320 -4.783 1.00 11.41 H new ATOM 0 HD12 LEU A 77 -13.372 -8.079 -5.074 1.00 11.41 H new ATOM 0 HD13 LEU A 77 -12.176 -7.150 -6.009 1.00 11.41 H new ATOM 0 HD21 LEU A 77 -10.331 -6.675 -3.575 1.00 62.42 H new ATOM 0 HD22 LEU A 77 -10.756 -5.369 -4.707 1.00 62.42 H new ATOM 0 HD23 LEU A 77 -11.075 -5.177 -2.967 1.00 62.42 H new ATOM 1172 N PRO A 78 -15.650 -4.685 -6.726 1.00 5.44 N ATOM 1173 CA PRO A 78 -16.940 -4.098 -7.133 1.00 64.24 C ATOM 1174 C PRO A 78 -17.917 -3.980 -5.963 1.00 20.13 C ATOM 1175 O PRO A 78 -18.936 -3.311 -6.047 1.00 64.13 O ATOM 1176 CB PRO A 78 -17.467 -5.082 -8.185 1.00 40.14 C ATOM 1177 CG PRO A 78 -16.811 -6.384 -7.870 1.00 4.13 C ATOM 1178 CD PRO A 78 -15.477 -6.060 -7.249 1.00 30.23 C ATOM 0 HA PRO A 78 -16.826 -3.081 -7.509 1.00 64.24 H new ATOM 0 HB2 PRO A 78 -18.553 -5.166 -8.136 1.00 40.14 H new ATOM 0 HB3 PRO A 78 -17.219 -4.750 -9.193 1.00 40.14 H new ATOM 0 HG2 PRO A 78 -17.424 -6.970 -7.185 1.00 4.13 H new ATOM 0 HG3 PRO A 78 -16.682 -6.981 -8.773 1.00 4.13 H new ATOM 0 HD2 PRO A 78 -15.226 -6.761 -6.453 1.00 30.23 H new ATOM 0 HD3 PRO A 78 -14.672 -6.110 -7.983 1.00 30.23 H new ATOM 1186 N ASN A 79 -17.556 -4.599 -4.860 1.00 53.45 N ATOM 1187 CA ASN A 79 -18.374 -4.600 -3.652 1.00 11.14 C ATOM 1188 C ASN A 79 -18.024 -3.402 -2.784 1.00 0.43 C ATOM 1189 O ASN A 79 -18.442 -3.327 -1.637 1.00 51.03 O ATOM 1190 CB ASN A 79 -18.156 -5.895 -2.824 1.00 33.14 C ATOM 1191 CG ASN A 79 -18.507 -7.194 -3.553 1.00 44.04 C ATOM 1192 OD1 ASN A 79 -18.357 -7.315 -4.761 1.00 3.10 O ATOM 1193 ND2 ASN A 79 -18.973 -8.172 -2.815 1.00 34.40 N ATOM 0 H ASN A 79 -16.684 -5.120 -4.769 1.00 53.45 H new ATOM 0 HA ASN A 79 -19.418 -4.549 -3.962 1.00 11.14 H new ATOM 0 HB2 ASN A 79 -17.112 -5.940 -2.515 1.00 33.14 H new ATOM 0 HB3 ASN A 79 -18.755 -5.833 -1.915 1.00 33.14 H new ATOM 0 HD21 ASN A 79 -19.221 -9.063 -3.246 1.00 34.40 H new ATOM 0 HD22 ASN A 79 -19.088 -8.042 -1.810 1.00 34.40 H new ATOM 1200 N ASN A 80 -17.269 -2.459 -3.363 1.00 73.13 N ATOM 1201 CA ASN A 80 -16.773 -1.259 -2.665 1.00 30.35 C ATOM 1202 C ASN A 80 -15.785 -1.636 -1.600 1.00 10.14 C ATOM 1203 O ASN A 80 -15.855 -1.187 -0.464 1.00 24.43 O ATOM 1204 CB ASN A 80 -17.892 -0.353 -2.100 1.00 13.43 C ATOM 1205 CG ASN A 80 -18.640 0.401 -3.176 1.00 62.42 C ATOM 1206 OD1 ASN A 80 -18.246 1.503 -3.563 1.00 62.21 O ATOM 1207 ND2 ASN A 80 -19.715 -0.168 -3.663 1.00 53.43 N ATOM 0 H ASN A 80 -16.981 -2.506 -4.340 1.00 73.13 H new ATOM 0 HA ASN A 80 -16.268 -0.657 -3.421 1.00 30.35 H new ATOM 0 HB2 ASN A 80 -18.596 -0.964 -1.535 1.00 13.43 H new ATOM 0 HB3 ASN A 80 -17.456 0.360 -1.400 1.00 13.43 H new ATOM 0 HD21 ASN A 80 -20.257 0.302 -4.388 1.00 53.43 H new ATOM 0 HD22 ASN A 80 -20.010 -1.081 -3.317 1.00 53.43 H new ATOM 1214 N ALA A 81 -14.863 -2.464 -1.990 1.00 64.00 N ATOM 1215 CA ALA A 81 -13.811 -2.910 -1.134 1.00 31.01 C ATOM 1216 C ALA A 81 -12.510 -2.762 -1.881 1.00 0.33 C ATOM 1217 O ALA A 81 -12.515 -2.623 -3.111 1.00 51.53 O ATOM 1218 CB ALA A 81 -14.036 -4.354 -0.716 1.00 23.13 C ATOM 0 H ALA A 81 -14.822 -2.855 -2.931 1.00 64.00 H new ATOM 0 HA ALA A 81 -13.787 -2.311 -0.224 1.00 31.01 H new ATOM 0 HB1 ALA A 81 -13.223 -4.675 -0.064 1.00 23.13 H new ATOM 0 HB2 ALA A 81 -14.983 -4.435 -0.182 1.00 23.13 H new ATOM 0 HB3 ALA A 81 -14.063 -4.989 -1.601 1.00 23.13 H new ATOM 1224 N THR A 82 -11.430 -2.758 -1.174 1.00 1.02 N ATOM 1225 CA THR A 82 -10.141 -2.642 -1.771 1.00 62.15 C ATOM 1226 C THR A 82 -9.200 -3.689 -1.163 1.00 73.42 C ATOM 1227 O THR A 82 -9.189 -3.903 0.052 1.00 74.33 O ATOM 1228 CB THR A 82 -9.576 -1.224 -1.552 1.00 12.41 C ATOM 1229 OG1 THR A 82 -10.555 -0.257 -1.970 1.00 62.12 O ATOM 1230 CG2 THR A 82 -8.296 -1.014 -2.357 1.00 43.15 C ATOM 0 H THR A 82 -11.416 -2.836 -0.157 1.00 1.02 H new ATOM 0 HA THR A 82 -10.226 -2.816 -2.844 1.00 62.15 H new ATOM 0 HB THR A 82 -9.346 -1.103 -0.493 1.00 12.41 H new ATOM 0 HG1 THR A 82 -11.292 -0.237 -1.324 1.00 62.12 H new ATOM 0 HG21 THR A 82 -7.919 -0.006 -2.184 1.00 43.15 H new ATOM 0 HG22 THR A 82 -7.546 -1.741 -2.044 1.00 43.15 H new ATOM 0 HG23 THR A 82 -8.508 -1.145 -3.418 1.00 43.15 H new ATOM 1238 N ARG A 83 -8.437 -4.331 -1.999 1.00 74.40 N ATOM 1239 CA ARG A 83 -7.495 -5.341 -1.573 1.00 33.14 C ATOM 1240 C ARG A 83 -6.134 -4.689 -1.630 1.00 11.15 C ATOM 1241 O ARG A 83 -5.788 -4.078 -2.648 1.00 13.30 O ATOM 1242 CB ARG A 83 -7.546 -6.522 -2.561 1.00 0.20 C ATOM 1243 CG ARG A 83 -6.789 -7.795 -2.157 1.00 11.13 C ATOM 1244 CD ARG A 83 -7.461 -8.509 -0.986 1.00 35.12 C ATOM 1245 NE ARG A 83 -6.907 -9.868 -0.754 1.00 41.35 N ATOM 1246 CZ ARG A 83 -7.543 -10.865 -0.084 1.00 4.42 C ATOM 1247 NH1 ARG A 83 -8.694 -10.637 0.521 1.00 2.32 N ATOM 1248 NH2 ARG A 83 -7.001 -12.070 0.022 1.00 62.13 N ATOM 0 H ARG A 83 -8.446 -4.171 -3.006 1.00 74.40 H new ATOM 0 HA ARG A 83 -7.717 -5.715 -0.573 1.00 33.14 H new ATOM 0 HB2 ARG A 83 -8.591 -6.785 -2.722 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -7.152 -6.181 -3.518 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -6.733 -8.471 -3.011 1.00 11.13 H new ATOM 0 HG3 ARG A 83 -5.765 -7.538 -1.886 1.00 11.13 H new ATOM 0 HD2 ARG A 83 -7.339 -7.912 -0.082 1.00 35.12 H new ATOM 0 HD3 ARG A 83 -8.532 -8.584 -1.177 1.00 35.12 H new ATOM 0 HE ARG A 83 -5.979 -10.068 -1.126 1.00 41.35 H new ATOM 0 HH11 ARG A 83 -9.112 -9.707 0.488 1.00 2.32 H new ATOM 0 HH12 ARG A 83 -9.165 -11.391 1.022 1.00 2.32 H new ATOM 0 HH21 ARG A 83 -6.093 -12.260 -0.403 1.00 62.13 H new ATOM 0 HH22 ARG A 83 -7.492 -12.807 0.528 1.00 62.13 H new ATOM 1262 N ILE A 84 -5.376 -4.790 -0.575 1.00 53.32 N ATOM 1263 CA ILE A 84 -4.100 -4.131 -0.538 1.00 3.11 C ATOM 1264 C ILE A 84 -3.003 -5.190 -0.510 1.00 54.30 C ATOM 1265 O ILE A 84 -3.143 -6.241 0.126 1.00 23.52 O ATOM 1266 CB ILE A 84 -3.966 -3.175 0.712 1.00 33.41 C ATOM 1267 CG1 ILE A 84 -2.827 -2.183 0.550 1.00 71.21 C ATOM 1268 CG2 ILE A 84 -3.753 -3.945 1.982 1.00 23.22 C ATOM 1269 CD1 ILE A 84 -3.108 -1.125 -0.460 1.00 2.12 C ATOM 0 H ILE A 84 -5.616 -5.317 0.265 1.00 53.32 H new ATOM 0 HA ILE A 84 -4.005 -3.509 -1.428 1.00 3.11 H new ATOM 0 HB ILE A 84 -4.909 -2.631 0.772 1.00 33.41 H new ATOM 0 HG12 ILE A 84 -2.624 -1.713 1.512 1.00 71.21 H new ATOM 0 HG13 ILE A 84 -1.924 -2.721 0.261 1.00 71.21 H new ATOM 0 HG21 ILE A 84 -3.666 -3.251 2.818 1.00 23.22 H new ATOM 0 HG22 ILE A 84 -4.599 -4.611 2.150 1.00 23.22 H new ATOM 0 HG23 ILE A 84 -2.839 -4.533 1.902 1.00 23.22 H new ATOM 0 HD11 ILE A 84 -2.255 -0.450 -0.527 1.00 2.12 H new ATOM 0 HD12 ILE A 84 -3.282 -1.587 -1.432 1.00 2.12 H new ATOM 0 HD13 ILE A 84 -3.993 -0.563 -0.162 1.00 2.12 H new ATOM 1281 N SER A 85 -2.004 -4.963 -1.275 1.00 24.30 N ATOM 1282 CA SER A 85 -0.859 -5.817 -1.329 1.00 15.30 C ATOM 1283 C SER A 85 0.390 -4.967 -1.114 1.00 11.13 C ATOM 1284 O SER A 85 0.655 -4.030 -1.880 1.00 71.53 O ATOM 1285 CB SER A 85 -0.839 -6.550 -2.665 1.00 41.24 C ATOM 1286 OG SER A 85 -2.085 -7.217 -2.864 1.00 55.41 O ATOM 0 H SER A 85 -1.949 -4.160 -1.901 1.00 24.30 H new ATOM 0 HA SER A 85 -0.893 -6.573 -0.545 1.00 15.30 H new ATOM 0 HB2 SER A 85 -0.659 -5.844 -3.476 1.00 41.24 H new ATOM 0 HB3 SER A 85 -0.022 -7.271 -2.683 1.00 41.24 H new ATOM 0 HG SER A 85 -2.071 -7.686 -3.724 1.00 55.41 H new ATOM 1292 N ILE A 86 1.104 -5.247 -0.059 1.00 14.10 N ATOM 1293 CA ILE A 86 2.274 -4.487 0.309 1.00 15.21 C ATOM 1294 C ILE A 86 3.542 -5.333 0.093 1.00 13.11 C ATOM 1295 O ILE A 86 3.539 -6.547 0.328 1.00 31.31 O ATOM 1296 CB ILE A 86 2.166 -3.996 1.796 1.00 34.21 C ATOM 1297 CG1 ILE A 86 0.859 -3.201 1.989 1.00 74.04 C ATOM 1298 CG2 ILE A 86 3.375 -3.137 2.197 1.00 74.34 C ATOM 1299 CD1 ILE A 86 0.623 -2.709 3.402 1.00 41.41 C ATOM 0 H ILE A 86 0.891 -6.015 0.577 1.00 14.10 H new ATOM 0 HA ILE A 86 2.339 -3.605 -0.329 1.00 15.21 H new ATOM 0 HB ILE A 86 2.157 -4.874 2.442 1.00 34.21 H new ATOM 0 HG12 ILE A 86 0.868 -2.343 1.316 1.00 74.04 H new ATOM 0 HG13 ILE A 86 0.020 -3.830 1.692 1.00 74.04 H new ATOM 0 HG21 ILE A 86 3.265 -2.815 3.233 1.00 74.34 H new ATOM 0 HG22 ILE A 86 4.288 -3.723 2.094 1.00 74.34 H new ATOM 0 HG23 ILE A 86 3.431 -2.262 1.549 1.00 74.34 H new ATOM 0 HD11 ILE A 86 -0.318 -2.161 3.444 1.00 41.41 H new ATOM 0 HD12 ILE A 86 0.578 -3.561 4.081 1.00 41.41 H new ATOM 0 HD13 ILE A 86 1.440 -2.051 3.699 1.00 41.41 H new ATOM 1311 N LYS A 87 4.614 -4.672 -0.266 1.00 34.11 N ATOM 1312 CA LYS A 87 5.889 -5.274 -0.604 1.00 55.40 C ATOM 1313 C LYS A 87 6.892 -4.951 0.485 1.00 43.21 C ATOM 1314 O LYS A 87 6.955 -3.839 0.999 1.00 44.35 O ATOM 1315 CB LYS A 87 6.328 -4.766 -2.008 1.00 70.24 C ATOM 1316 CG LYS A 87 7.838 -4.719 -2.349 1.00 71.43 C ATOM 1317 CD LYS A 87 8.576 -6.049 -2.248 1.00 21.24 C ATOM 1318 CE LYS A 87 10.053 -5.842 -2.588 1.00 0.42 C ATOM 1319 NZ LYS A 87 10.918 -6.950 -2.105 1.00 65.31 N ATOM 0 H LYS A 87 4.627 -3.654 -0.335 1.00 34.11 H new ATOM 0 HA LYS A 87 5.815 -6.360 -0.660 1.00 55.40 H new ATOM 0 HB2 LYS A 87 5.841 -5.395 -2.753 1.00 70.24 H new ATOM 0 HB3 LYS A 87 5.931 -3.759 -2.133 1.00 70.24 H new ATOM 0 HG2 LYS A 87 7.952 -4.337 -3.363 1.00 71.43 H new ATOM 0 HG3 LYS A 87 8.321 -4.004 -1.683 1.00 71.43 H new ATOM 0 HD2 LYS A 87 8.477 -6.456 -1.242 1.00 21.24 H new ATOM 0 HD3 LYS A 87 8.133 -6.775 -2.930 1.00 21.24 H new ATOM 0 HE2 LYS A 87 10.162 -5.747 -3.668 1.00 0.42 H new ATOM 0 HE3 LYS A 87 10.394 -4.904 -2.149 1.00 0.42 H new ATOM 0 HZ1 LYS A 87 11.917 -6.688 -2.226 1.00 65.31 H new ATOM 0 HZ2 LYS A 87 10.726 -7.127 -1.098 1.00 65.31 H new ATOM 0 HZ3 LYS A 87 10.717 -7.811 -2.653 1.00 65.31 H new ATOM 1333 N TYR A 88 7.621 -5.968 0.853 1.00 44.21 N ATOM 1334 CA TYR A 88 8.498 -5.955 1.989 1.00 64.10 C ATOM 1335 C TYR A 88 9.917 -5.594 1.599 1.00 42.35 C ATOM 1336 O TYR A 88 10.351 -5.842 0.462 1.00 20.32 O ATOM 1337 CB TYR A 88 8.504 -7.368 2.599 1.00 4.53 C ATOM 1338 CG TYR A 88 9.280 -8.413 1.792 1.00 4.31 C ATOM 1339 CD1 TYR A 88 8.816 -8.873 0.567 1.00 4.31 C ATOM 1340 CD2 TYR A 88 10.494 -8.911 2.256 1.00 31.42 C ATOM 1341 CE1 TYR A 88 9.536 -9.787 -0.168 1.00 52.20 C ATOM 1342 CE2 TYR A 88 11.213 -9.833 1.525 1.00 62.23 C ATOM 1343 CZ TYR A 88 10.728 -10.263 0.311 1.00 62.02 C ATOM 1344 OH TYR A 88 11.441 -11.162 -0.434 1.00 12.23 O ATOM 0 H TYR A 88 7.620 -6.857 0.353 1.00 44.21 H new ATOM 0 HA TYR A 88 8.141 -5.207 2.697 1.00 64.10 H new ATOM 0 HB2 TYR A 88 8.930 -7.314 3.601 1.00 4.53 H new ATOM 0 HB3 TYR A 88 7.473 -7.706 2.708 1.00 4.53 H new ATOM 0 HD1 TYR A 88 7.874 -8.508 0.185 1.00 4.31 H new ATOM 0 HD2 TYR A 88 10.880 -8.569 3.205 1.00 31.42 H new ATOM 0 HE1 TYR A 88 9.162 -10.129 -1.122 1.00 52.20 H new ATOM 0 HE2 TYR A 88 12.150 -10.215 1.902 1.00 62.23 H new ATOM 0 HH TYR A 88 12.263 -11.402 0.042 1.00 12.23 H new ATOM 1354 N GLY A 89 10.628 -5.035 2.533 1.00 2.25 N ATOM 1355 CA GLY A 89 11.992 -4.714 2.315 1.00 5.41 C ATOM 1356 C GLY A 89 12.886 -5.574 3.165 1.00 74.54 C ATOM 1357 O GLY A 89 12.521 -6.699 3.497 1.00 45.43 O ATOM 0 H GLY A 89 10.274 -4.793 3.459 1.00 2.25 H new ATOM 0 HA2 GLY A 89 12.239 -4.854 1.263 1.00 5.41 H new ATOM 0 HA3 GLY A 89 12.164 -3.663 2.546 1.00 5.41 H new ATOM 1361 N SER A 90 14.005 -5.037 3.574 1.00 64.31 N ATOM 1362 CA SER A 90 14.979 -5.772 4.372 1.00 42.31 C ATOM 1363 C SER A 90 14.488 -5.971 5.814 1.00 31.44 C ATOM 1364 O SER A 90 14.995 -6.802 6.551 1.00 42.11 O ATOM 1365 CB SER A 90 16.334 -5.044 4.332 1.00 14.25 C ATOM 1366 OG SER A 90 16.191 -3.664 4.684 1.00 3.11 O ATOM 0 H SER A 90 14.277 -4.076 3.368 1.00 64.31 H new ATOM 0 HA SER A 90 15.105 -6.766 3.943 1.00 42.31 H new ATOM 0 HB2 SER A 90 17.030 -5.527 5.018 1.00 14.25 H new ATOM 0 HB3 SER A 90 16.764 -5.125 3.334 1.00 14.25 H new ATOM 0 HG SER A 90 15.775 -3.178 3.941 1.00 3.11 H new ATOM 1372 N GLN A 91 13.514 -5.177 6.196 1.00 44.23 N ATOM 1373 CA GLN A 91 12.892 -5.250 7.513 1.00 42.34 C ATOM 1374 C GLN A 91 11.529 -5.924 7.393 1.00 41.13 C ATOM 1375 O GLN A 91 10.734 -5.926 8.334 1.00 63.10 O ATOM 1376 CB GLN A 91 12.722 -3.831 8.084 1.00 0.22 C ATOM 1377 CG GLN A 91 14.029 -3.068 8.271 1.00 64.12 C ATOM 1378 CD GLN A 91 14.949 -3.715 9.290 1.00 34.13 C ATOM 1379 OE1 GLN A 91 14.898 -3.406 10.473 1.00 63.34 O ATOM 1380 NE2 GLN A 91 15.781 -4.625 8.846 1.00 75.40 N ATOM 0 H GLN A 91 13.121 -4.450 5.598 1.00 44.23 H new ATOM 0 HA GLN A 91 13.525 -5.832 8.183 1.00 42.34 H new ATOM 0 HB2 GLN A 91 12.074 -3.260 7.419 1.00 0.22 H new ATOM 0 HB3 GLN A 91 12.213 -3.898 9.046 1.00 0.22 H new ATOM 0 HG2 GLN A 91 14.545 -3.001 7.313 1.00 64.12 H new ATOM 0 HG3 GLN A 91 13.807 -2.048 8.585 1.00 64.12 H new ATOM 0 HE21 GLN A 91 15.798 -4.859 7.853 1.00 75.40 H new ATOM 0 HE22 GLN A 91 16.411 -5.099 9.493 1.00 75.40 H new ATOM 1389 N GLY A 92 11.254 -6.476 6.215 1.00 13.31 N ATOM 1390 CA GLY A 92 9.926 -6.953 5.923 1.00 20.04 C ATOM 1391 C GLY A 92 9.075 -5.732 5.635 1.00 14.42 C ATOM 1392 O GLY A 92 9.622 -4.636 5.402 1.00 33.53 O ATOM 0 H GLY A 92 11.931 -6.599 5.462 1.00 13.31 H new ATOM 0 HA2 GLY A 92 9.937 -7.627 5.067 1.00 20.04 H new ATOM 0 HA3 GLY A 92 9.523 -7.515 6.766 1.00 20.04 H new ATOM 1396 N ASN A 93 7.794 -5.874 5.543 1.00 63.23 N ATOM 1397 CA ASN A 93 6.967 -4.693 5.429 1.00 24.20 C ATOM 1398 C ASN A 93 6.356 -4.331 6.748 1.00 33.42 C ATOM 1399 O ASN A 93 5.843 -3.261 6.883 1.00 74.24 O ATOM 1400 CB ASN A 93 5.889 -4.752 4.325 1.00 5.23 C ATOM 1401 CG ASN A 93 4.857 -5.842 4.486 1.00 73.32 C ATOM 1402 OD1 ASN A 93 4.529 -6.281 5.585 1.00 24.23 O ATOM 1403 ND2 ASN A 93 4.323 -6.282 3.392 1.00 4.43 N ATOM 0 H ASN A 93 7.297 -6.765 5.543 1.00 63.23 H new ATOM 0 HA ASN A 93 7.653 -3.906 5.115 1.00 24.20 H new ATOM 0 HB2 ASN A 93 5.376 -3.791 4.290 1.00 5.23 H new ATOM 0 HB3 ASN A 93 6.385 -4.883 3.363 1.00 5.23 H new ATOM 0 HD21 ASN A 93 3.611 -7.011 3.429 1.00 4.43 H new ATOM 0 HD22 ASN A 93 4.614 -5.899 2.492 1.00 4.43 H new ATOM 1410 N SER A 94 6.502 -5.213 7.727 1.00 1.34 N ATOM 1411 CA SER A 94 5.753 -5.198 8.988 1.00 25.13 C ATOM 1412 C SER A 94 5.618 -3.805 9.640 1.00 13.30 C ATOM 1413 O SER A 94 4.498 -3.328 9.832 1.00 72.20 O ATOM 1414 CB SER A 94 6.439 -6.171 9.929 1.00 61.11 C ATOM 1415 OG SER A 94 6.702 -7.382 9.237 1.00 72.11 O ATOM 0 H SER A 94 7.165 -5.986 7.669 1.00 1.34 H new ATOM 0 HA SER A 94 4.726 -5.492 8.774 1.00 25.13 H new ATOM 0 HB2 SER A 94 7.369 -5.741 10.301 1.00 61.11 H new ATOM 0 HB3 SER A 94 5.807 -6.363 10.796 1.00 61.11 H new ATOM 0 HG SER A 94 5.883 -7.692 8.797 1.00 72.11 H new ATOM 1421 N ILE A 95 6.722 -3.139 9.914 1.00 52.55 N ATOM 1422 CA ILE A 95 6.674 -1.816 10.562 1.00 73.42 C ATOM 1423 C ILE A 95 6.036 -0.766 9.633 1.00 43.55 C ATOM 1424 O ILE A 95 5.163 0.003 10.047 1.00 10.10 O ATOM 1425 CB ILE A 95 8.090 -1.347 11.091 1.00 51.44 C ATOM 1426 CG1 ILE A 95 8.508 -2.116 12.372 1.00 3.14 C ATOM 1427 CG2 ILE A 95 8.135 0.161 11.352 1.00 21.34 C ATOM 1428 CD1 ILE A 95 8.691 -3.614 12.219 1.00 2.33 C ATOM 0 H ILE A 95 7.662 -3.477 9.706 1.00 52.55 H new ATOM 0 HA ILE A 95 6.037 -1.916 11.441 1.00 73.42 H new ATOM 0 HB ILE A 95 8.803 -1.578 10.299 1.00 51.44 H new ATOM 0 HG12 ILE A 95 9.443 -1.691 12.738 1.00 3.14 H new ATOM 0 HG13 ILE A 95 7.755 -1.939 13.140 1.00 3.14 H new ATOM 0 HG21 ILE A 95 9.125 0.438 11.714 1.00 21.34 H new ATOM 0 HG22 ILE A 95 7.923 0.697 10.427 1.00 21.34 H new ATOM 0 HG23 ILE A 95 7.388 0.423 12.102 1.00 21.34 H new ATOM 0 HD11 ILE A 95 8.982 -4.045 13.177 1.00 2.33 H new ATOM 0 HD12 ILE A 95 7.754 -4.063 11.889 1.00 2.33 H new ATOM 0 HD13 ILE A 95 9.468 -3.812 11.481 1.00 2.33 H new ATOM 1440 N ARG A 96 6.416 -0.819 8.369 1.00 13.32 N ATOM 1441 CA ARG A 96 5.925 0.114 7.356 1.00 22.53 C ATOM 1442 C ARG A 96 4.420 -0.103 7.144 1.00 55.24 C ATOM 1443 O ARG A 96 3.652 0.838 7.089 1.00 61.24 O ATOM 1444 CB ARG A 96 6.675 -0.115 6.031 1.00 33.33 C ATOM 1445 CG ARG A 96 8.195 -0.009 6.137 1.00 13.52 C ATOM 1446 CD ARG A 96 8.870 -0.355 4.814 1.00 65.11 C ATOM 1447 NE ARG A 96 10.335 -0.340 4.920 1.00 71.34 N ATOM 1448 CZ ARG A 96 11.198 -0.801 4.002 1.00 64.31 C ATOM 1449 NH1 ARG A 96 10.777 -1.290 2.844 1.00 20.04 N ATOM 1450 NH2 ARG A 96 12.494 -0.749 4.249 1.00 64.01 N ATOM 0 H ARG A 96 7.075 -1.510 8.010 1.00 13.32 H new ATOM 0 HA ARG A 96 6.098 1.136 7.693 1.00 22.53 H new ATOM 0 HB2 ARG A 96 6.418 -1.103 5.649 1.00 33.33 H new ATOM 0 HB3 ARG A 96 6.323 0.612 5.299 1.00 33.33 H new ATOM 0 HG2 ARG A 96 8.471 1.003 6.434 1.00 13.52 H new ATOM 0 HG3 ARG A 96 8.555 -0.680 6.917 1.00 13.52 H new ATOM 0 HD2 ARG A 96 8.541 -1.341 4.487 1.00 65.11 H new ATOM 0 HD3 ARG A 96 8.555 0.356 4.050 1.00 65.11 H new ATOM 0 HE ARG A 96 10.733 0.058 5.771 1.00 71.34 H new ATOM 0 HH11 ARG A 96 9.779 -1.321 2.636 1.00 20.04 H new ATOM 0 HH12 ARG A 96 11.451 -1.635 2.161 1.00 20.04 H new ATOM 0 HH21 ARG A 96 12.830 -0.361 5.131 1.00 64.01 H new ATOM 0 HH22 ARG A 96 13.159 -1.097 3.558 1.00 64.01 H new ATOM 1464 N SER A 97 4.039 -1.367 7.073 1.00 42.53 N ATOM 1465 CA SER A 97 2.675 -1.804 6.860 1.00 2.33 C ATOM 1466 C SER A 97 1.778 -1.353 8.013 1.00 2.51 C ATOM 1467 O SER A 97 0.696 -0.818 7.784 1.00 15.22 O ATOM 1468 CB SER A 97 2.662 -3.341 6.735 1.00 3.21 C ATOM 1469 OG SER A 97 1.379 -3.845 6.459 1.00 61.34 O ATOM 0 H SER A 97 4.696 -2.142 7.166 1.00 42.53 H new ATOM 0 HA SER A 97 2.288 -1.357 5.944 1.00 2.33 H new ATOM 0 HB2 SER A 97 3.347 -3.644 5.943 1.00 3.21 H new ATOM 0 HB3 SER A 97 3.031 -3.781 7.661 1.00 3.21 H new ATOM 0 HG SER A 97 1.456 -4.748 6.085 1.00 61.34 H new ATOM 1475 N SER A 98 2.272 -1.520 9.243 1.00 43.41 N ATOM 1476 CA SER A 98 1.528 -1.157 10.440 1.00 31.11 C ATOM 1477 C SER A 98 1.123 0.321 10.403 1.00 5.21 C ATOM 1478 O SER A 98 -0.050 0.666 10.616 1.00 3.43 O ATOM 1479 CB SER A 98 2.375 -1.465 11.685 1.00 31.13 C ATOM 1480 OG SER A 98 2.700 -2.849 11.749 1.00 64.20 O ATOM 0 H SER A 98 3.196 -1.910 9.431 1.00 43.41 H new ATOM 0 HA SER A 98 0.612 -1.747 10.482 1.00 31.11 H new ATOM 0 HB2 SER A 98 3.290 -0.873 11.663 1.00 31.13 H new ATOM 0 HB3 SER A 98 1.829 -1.174 12.582 1.00 31.13 H new ATOM 0 HG SER A 98 3.507 -3.020 11.220 1.00 64.20 H new ATOM 1486 N ALA A 99 2.082 1.178 10.101 1.00 55.34 N ATOM 1487 CA ALA A 99 1.819 2.593 10.021 1.00 25.34 C ATOM 1488 C ALA A 99 0.969 2.927 8.805 1.00 41.30 C ATOM 1489 O ALA A 99 -0.007 3.666 8.918 1.00 23.00 O ATOM 1490 CB ALA A 99 3.114 3.391 10.024 1.00 15.01 C ATOM 0 H ALA A 99 3.048 0.913 9.908 1.00 55.34 H new ATOM 0 HA ALA A 99 1.252 2.877 10.908 1.00 25.34 H new ATOM 0 HB1 ALA A 99 2.886 4.455 9.963 1.00 15.01 H new ATOM 0 HB2 ALA A 99 3.663 3.190 10.944 1.00 15.01 H new ATOM 0 HB3 ALA A 99 3.722 3.101 9.167 1.00 15.01 H new ATOM 1496 N LEU A 100 1.315 2.338 7.661 1.00 20.50 N ATOM 1497 CA LEU A 100 0.645 2.599 6.398 1.00 41.51 C ATOM 1498 C LEU A 100 -0.836 2.315 6.506 1.00 61.14 C ATOM 1499 O LEU A 100 -1.652 3.169 6.186 1.00 1.11 O ATOM 1500 CB LEU A 100 1.239 1.715 5.316 1.00 41.04 C ATOM 1501 CG LEU A 100 0.831 2.029 3.882 1.00 32.32 C ATOM 1502 CD1 LEU A 100 1.322 3.408 3.475 1.00 32.55 C ATOM 1503 CD2 LEU A 100 1.364 0.971 2.946 1.00 10.51 C ATOM 0 H LEU A 100 2.075 1.662 7.589 1.00 20.50 H new ATOM 0 HA LEU A 100 0.786 3.650 6.146 1.00 41.51 H new ATOM 0 HB2 LEU A 100 2.325 1.777 5.383 1.00 41.04 H new ATOM 0 HB3 LEU A 100 0.965 0.682 5.530 1.00 41.04 H new ATOM 0 HG LEU A 100 -0.257 2.028 3.820 1.00 32.32 H new ATOM 0 HD11 LEU A 100 1.020 3.613 2.448 1.00 32.55 H new ATOM 0 HD12 LEU A 100 0.889 4.158 4.137 1.00 32.55 H new ATOM 0 HD13 LEU A 100 2.409 3.443 3.548 1.00 32.55 H new ATOM 0 HD21 LEU A 100 1.066 1.206 1.924 1.00 10.51 H new ATOM 0 HD22 LEU A 100 2.452 0.943 3.010 1.00 10.51 H new ATOM 0 HD23 LEU A 100 0.959 -0.001 3.228 1.00 10.51 H new ATOM 1515 N ILE A 101 -1.170 1.143 7.025 1.00 42.20 N ATOM 1516 CA ILE A 101 -2.558 0.734 7.194 1.00 23.42 C ATOM 1517 C ILE A 101 -3.306 1.716 8.098 1.00 42.54 C ATOM 1518 O ILE A 101 -4.429 2.115 7.779 1.00 3.52 O ATOM 1519 CB ILE A 101 -2.658 -0.723 7.758 1.00 31.12 C ATOM 1520 CG1 ILE A 101 -2.160 -1.761 6.726 1.00 61.25 C ATOM 1521 CG2 ILE A 101 -4.065 -1.063 8.246 1.00 25.25 C ATOM 1522 CD1 ILE A 101 -2.935 -1.783 5.414 1.00 3.43 C ATOM 0 H ILE A 101 -0.490 0.451 7.340 1.00 42.20 H new ATOM 0 HA ILE A 101 -3.029 0.744 6.211 1.00 23.42 H new ATOM 0 HB ILE A 101 -2.001 -0.768 8.627 1.00 31.12 H new ATOM 0 HG12 ILE A 101 -1.111 -1.561 6.508 1.00 61.25 H new ATOM 0 HG13 ILE A 101 -2.209 -2.752 7.177 1.00 61.25 H new ATOM 0 HG21 ILE A 101 -4.081 -2.084 8.627 1.00 25.25 H new ATOM 0 HG22 ILE A 101 -4.351 -0.374 9.041 1.00 25.25 H new ATOM 0 HG23 ILE A 101 -4.769 -0.974 7.418 1.00 25.25 H new ATOM 0 HD11 ILE A 101 -2.513 -2.542 4.755 1.00 3.43 H new ATOM 0 HD12 ILE A 101 -3.981 -2.016 5.613 1.00 3.43 H new ATOM 0 HD13 ILE A 101 -2.866 -0.807 4.934 1.00 3.43 H new ATOM 1534 N GLY A 102 -2.644 2.159 9.169 1.00 31.11 N ATOM 1535 CA GLY A 102 -3.246 3.112 10.092 1.00 43.13 C ATOM 1536 C GLY A 102 -3.576 4.427 9.420 1.00 52.45 C ATOM 1537 O GLY A 102 -4.639 5.013 9.638 1.00 0.24 O ATOM 0 H GLY A 102 -1.696 1.873 9.414 1.00 31.11 H new ATOM 0 HA2 GLY A 102 -4.155 2.683 10.513 1.00 43.13 H new ATOM 0 HA3 GLY A 102 -2.564 3.291 10.923 1.00 43.13 H new ATOM 1541 N ILE A 103 -2.677 4.876 8.586 1.00 63.54 N ATOM 1542 CA ILE A 103 -2.850 6.111 7.859 1.00 63.31 C ATOM 1543 C ILE A 103 -3.941 5.950 6.800 1.00 71.42 C ATOM 1544 O ILE A 103 -4.789 6.836 6.633 1.00 43.15 O ATOM 1545 CB ILE A 103 -1.523 6.538 7.200 1.00 5.32 C ATOM 1546 CG1 ILE A 103 -0.451 6.673 8.279 1.00 3.12 C ATOM 1547 CG2 ILE A 103 -1.694 7.867 6.458 1.00 23.45 C ATOM 1548 CD1 ILE A 103 0.947 6.727 7.744 1.00 51.31 C ATOM 0 H ILE A 103 -1.799 4.396 8.389 1.00 63.54 H new ATOM 0 HA ILE A 103 -3.153 6.889 8.560 1.00 63.31 H new ATOM 0 HB ILE A 103 -1.222 5.781 6.476 1.00 5.32 H new ATOM 0 HG12 ILE A 103 -0.643 7.577 8.857 1.00 3.12 H new ATOM 0 HG13 ILE A 103 -0.534 5.831 8.967 1.00 3.12 H new ATOM 0 HG21 ILE A 103 -0.747 8.152 5.999 1.00 23.45 H new ATOM 0 HG22 ILE A 103 -2.453 7.756 5.684 1.00 23.45 H new ATOM 0 HG23 ILE A 103 -2.003 8.640 7.162 1.00 23.45 H new ATOM 0 HD11 ILE A 103 1.650 6.823 8.572 1.00 51.31 H new ATOM 0 HD12 ILE A 103 1.161 5.812 7.191 1.00 51.31 H new ATOM 0 HD13 ILE A 103 1.049 7.585 7.080 1.00 51.31 H new ATOM 1560 N ILE A 104 -3.933 4.803 6.114 1.00 52.23 N ATOM 1561 CA ILE A 104 -4.915 4.526 5.076 1.00 64.35 C ATOM 1562 C ILE A 104 -6.318 4.517 5.664 1.00 1.20 C ATOM 1563 O ILE A 104 -7.198 5.231 5.178 1.00 43.34 O ATOM 1564 CB ILE A 104 -4.649 3.150 4.371 1.00 23.05 C ATOM 1565 CG1 ILE A 104 -3.298 3.157 3.650 1.00 61.53 C ATOM 1566 CG2 ILE A 104 -5.773 2.808 3.384 1.00 25.45 C ATOM 1567 CD1 ILE A 104 -2.901 1.809 3.067 1.00 10.21 C ATOM 0 H ILE A 104 -3.255 4.055 6.263 1.00 52.23 H new ATOM 0 HA ILE A 104 -4.826 5.318 4.332 1.00 64.35 H new ATOM 0 HB ILE A 104 -4.626 2.383 5.145 1.00 23.05 H new ATOM 0 HG12 ILE A 104 -3.330 3.893 2.847 1.00 61.53 H new ATOM 0 HG13 ILE A 104 -2.526 3.481 4.349 1.00 61.53 H new ATOM 0 HG21 ILE A 104 -5.562 1.849 2.910 1.00 25.45 H new ATOM 0 HG22 ILE A 104 -6.721 2.748 3.919 1.00 25.45 H new ATOM 0 HG23 ILE A 104 -5.836 3.584 2.621 1.00 25.45 H new ATOM 0 HD11 ILE A 104 -1.933 1.897 2.573 1.00 10.21 H new ATOM 0 HD12 ILE A 104 -2.835 1.072 3.867 1.00 10.21 H new ATOM 0 HD13 ILE A 104 -3.650 1.491 2.342 1.00 10.21 H new ATOM 1579 N GLU A 105 -6.513 3.768 6.743 1.00 3.51 N ATOM 1580 CA GLU A 105 -7.817 3.711 7.350 1.00 64.43 C ATOM 1581 C GLU A 105 -8.217 5.037 7.970 1.00 13.11 C ATOM 1582 O GLU A 105 -9.321 5.508 7.743 1.00 34.03 O ATOM 1583 CB GLU A 105 -7.987 2.565 8.348 1.00 53.44 C ATOM 1584 CG GLU A 105 -7.045 2.579 9.534 1.00 32.20 C ATOM 1585 CD GLU A 105 -7.714 2.011 10.742 1.00 54.33 C ATOM 1586 OE1 GLU A 105 -7.991 0.800 10.771 1.00 53.44 O ATOM 1587 OE2 GLU A 105 -8.085 2.793 11.631 1.00 53.31 O ATOM 0 H GLU A 105 -5.795 3.206 7.200 1.00 3.51 H new ATOM 0 HA GLU A 105 -8.500 3.500 6.527 1.00 64.43 H new ATOM 0 HB2 GLU A 105 -9.011 2.582 8.721 1.00 53.44 H new ATOM 0 HB3 GLU A 105 -7.857 1.623 7.816 1.00 53.44 H new ATOM 0 HG2 GLU A 105 -6.150 2.002 9.302 1.00 32.20 H new ATOM 0 HG3 GLU A 105 -6.722 3.600 9.737 1.00 32.20 H new ATOM 1594 N GLY A 106 -7.294 5.658 8.702 1.00 51.41 N ATOM 1595 CA GLY A 106 -7.578 6.888 9.417 1.00 31.41 C ATOM 1596 C GLY A 106 -8.013 8.017 8.515 1.00 74.51 C ATOM 1597 O GLY A 106 -8.919 8.776 8.863 1.00 24.34 O ATOM 0 H GLY A 106 -6.337 5.321 8.812 1.00 51.41 H new ATOM 0 HA2 GLY A 106 -8.359 6.700 10.154 1.00 31.41 H new ATOM 0 HA3 GLY A 106 -6.688 7.194 9.967 1.00 31.41 H new ATOM 1601 N ASN A 107 -7.400 8.106 7.346 1.00 1.10 N ATOM 1602 CA ASN A 107 -7.741 9.143 6.364 1.00 13.21 C ATOM 1603 C ASN A 107 -9.183 8.914 5.888 1.00 71.04 C ATOM 1604 O ASN A 107 -10.000 9.838 5.851 1.00 0.41 O ATOM 1605 CB ASN A 107 -6.743 9.076 5.184 1.00 15.44 C ATOM 1606 CG ASN A 107 -6.836 10.224 4.164 1.00 35.24 C ATOM 1607 OD1 ASN A 107 -7.886 10.795 3.919 1.00 44.00 O ATOM 1608 ND2 ASN A 107 -5.708 10.551 3.563 1.00 50.32 N ATOM 0 H ASN A 107 -6.659 7.473 7.045 1.00 1.10 H new ATOM 0 HA ASN A 107 -7.673 10.135 6.810 1.00 13.21 H new ATOM 0 HB2 ASN A 107 -5.731 9.056 5.589 1.00 15.44 H new ATOM 0 HB3 ASN A 107 -6.895 8.134 4.657 1.00 15.44 H new ATOM 0 HD21 ASN A 107 -5.697 11.301 2.871 1.00 50.32 H new ATOM 0 HD22 ASN A 107 -4.847 10.054 3.790 1.00 50.32 H new ATOM 1615 N ILE A 108 -9.508 7.648 5.625 1.00 21.42 N ATOM 1616 CA ILE A 108 -10.849 7.258 5.197 1.00 5.14 C ATOM 1617 C ILE A 108 -11.863 7.533 6.315 1.00 60.41 C ATOM 1618 O ILE A 108 -12.934 8.060 6.065 1.00 53.43 O ATOM 1619 CB ILE A 108 -10.909 5.751 4.817 1.00 65.22 C ATOM 1620 CG1 ILE A 108 -9.946 5.447 3.666 1.00 64.22 C ATOM 1621 CG2 ILE A 108 -12.332 5.348 4.432 1.00 70.52 C ATOM 1622 CD1 ILE A 108 -9.800 3.974 3.365 1.00 21.13 C ATOM 0 H ILE A 108 -8.853 6.870 5.702 1.00 21.42 H new ATOM 0 HA ILE A 108 -11.097 7.850 4.316 1.00 5.14 H new ATOM 0 HB ILE A 108 -10.607 5.170 5.688 1.00 65.22 H new ATOM 0 HG12 ILE A 108 -10.294 5.959 2.769 1.00 64.22 H new ATOM 0 HG13 ILE A 108 -8.966 5.858 3.907 1.00 64.22 H new ATOM 0 HG21 ILE A 108 -12.352 4.290 4.170 1.00 70.52 H new ATOM 0 HG22 ILE A 108 -13.001 5.526 5.274 1.00 70.52 H new ATOM 0 HG23 ILE A 108 -12.659 5.940 3.577 1.00 70.52 H new ATOM 0 HD11 ILE A 108 -9.102 3.839 2.539 1.00 21.13 H new ATOM 0 HD12 ILE A 108 -9.422 3.458 4.247 1.00 21.13 H new ATOM 0 HD13 ILE A 108 -10.771 3.561 3.091 1.00 21.13 H new ATOM 1634 N ARG A 109 -11.499 7.185 7.551 1.00 51.33 N ATOM 1635 CA ARG A 109 -12.388 7.381 8.695 1.00 25.23 C ATOM 1636 C ARG A 109 -12.695 8.851 8.900 1.00 65.23 C ATOM 1637 O ARG A 109 -13.817 9.206 9.215 1.00 15.43 O ATOM 1638 CB ARG A 109 -11.813 6.779 9.990 1.00 53.03 C ATOM 1639 CG ARG A 109 -11.414 5.325 9.860 1.00 65.31 C ATOM 1640 CD ARG A 109 -11.144 4.668 11.210 1.00 63.33 C ATOM 1641 NE ARG A 109 -10.616 3.299 11.059 1.00 71.11 N ATOM 1642 CZ ARG A 109 -11.271 2.229 10.563 1.00 74.00 C ATOM 1643 NH1 ARG A 109 -12.541 2.342 10.148 1.00 72.22 N ATOM 1644 NH2 ARG A 109 -10.644 1.057 10.471 1.00 44.15 N ATOM 0 H ARG A 109 -10.598 6.768 7.784 1.00 51.33 H new ATOM 0 HA ARG A 109 -13.313 6.853 8.465 1.00 25.23 H new ATOM 0 HB2 ARG A 109 -10.942 7.360 10.295 1.00 53.03 H new ATOM 0 HB3 ARG A 109 -12.553 6.874 10.784 1.00 53.03 H new ATOM 0 HG2 ARG A 109 -12.206 4.779 9.346 1.00 65.31 H new ATOM 0 HG3 ARG A 109 -10.521 5.251 9.239 1.00 65.31 H new ATOM 0 HD2 ARG A 109 -10.432 5.272 11.772 1.00 63.33 H new ATOM 0 HD3 ARG A 109 -12.066 4.640 11.791 1.00 63.33 H new ATOM 0 HE ARG A 109 -9.654 3.145 11.362 1.00 71.11 H new ATOM 0 HH11 ARG A 109 -13.018 3.241 10.206 1.00 72.22 H new ATOM 0 HH12 ARG A 109 -13.030 1.528 9.774 1.00 72.22 H new ATOM 0 HH21 ARG A 109 -9.674 0.972 10.775 1.00 44.15 H new ATOM 0 HH22 ARG A 109 -11.134 0.244 10.097 1.00 44.15 H new ATOM 1658 N TYR A 110 -11.697 9.691 8.685 1.00 52.04 N ATOM 1659 CA TYR A 110 -11.858 11.127 8.828 1.00 33.33 C ATOM 1660 C TYR A 110 -12.786 11.667 7.738 1.00 2.35 C ATOM 1661 O TYR A 110 -13.664 12.478 8.005 1.00 50.53 O ATOM 1662 CB TYR A 110 -10.489 11.823 8.784 1.00 41.01 C ATOM 1663 CG TYR A 110 -10.539 13.322 8.993 1.00 22.45 C ATOM 1664 CD1 TYR A 110 -10.736 13.855 10.260 1.00 13.44 C ATOM 1665 CD2 TYR A 110 -10.394 14.202 7.927 1.00 5.33 C ATOM 1666 CE1 TYR A 110 -10.784 15.221 10.460 1.00 22.33 C ATOM 1667 CE2 TYR A 110 -10.440 15.569 8.119 1.00 21.12 C ATOM 1668 CZ TYR A 110 -10.636 16.072 9.388 1.00 64.33 C ATOM 1669 OH TYR A 110 -10.680 17.435 9.584 1.00 70.31 O ATOM 0 H TYR A 110 -10.759 9.400 8.409 1.00 52.04 H new ATOM 0 HA TYR A 110 -12.314 11.338 9.795 1.00 33.33 H new ATOM 0 HB2 TYR A 110 -9.848 11.384 9.548 1.00 41.01 H new ATOM 0 HB3 TYR A 110 -10.023 11.619 7.820 1.00 41.01 H new ATOM 0 HD1 TYR A 110 -10.854 13.190 11.103 1.00 13.44 H new ATOM 0 HD2 TYR A 110 -10.243 13.810 6.932 1.00 5.33 H new ATOM 0 HE1 TYR A 110 -10.937 15.619 11.452 1.00 22.33 H new ATOM 0 HE2 TYR A 110 -10.323 16.240 7.281 1.00 21.12 H new ATOM 0 HH TYR A 110 -10.558 17.893 8.726 1.00 70.31 H new ATOM 1679 N ALA A 111 -12.590 11.196 6.517 1.00 23.45 N ATOM 1680 CA ALA A 111 -13.430 11.589 5.388 1.00 74.44 C ATOM 1681 C ALA A 111 -14.867 11.068 5.554 1.00 21.24 C ATOM 1682 O ALA A 111 -15.813 11.625 5.008 1.00 65.31 O ATOM 1683 CB ALA A 111 -12.828 11.086 4.083 1.00 21.43 C ATOM 0 H ALA A 111 -11.851 10.535 6.277 1.00 23.45 H new ATOM 0 HA ALA A 111 -13.471 12.678 5.361 1.00 74.44 H new ATOM 0 HB1 ALA A 111 -13.464 11.386 3.250 1.00 21.43 H new ATOM 0 HB2 ALA A 111 -11.834 11.513 3.953 1.00 21.43 H new ATOM 0 HB3 ALA A 111 -12.755 9.999 4.111 1.00 21.43 H new ATOM 1689 N ASN A 112 -15.000 9.989 6.299 1.00 14.04 N ATOM 1690 CA ASN A 112 -16.286 9.351 6.555 1.00 13.22 C ATOM 1691 C ASN A 112 -17.064 10.148 7.610 1.00 14.54 C ATOM 1692 O ASN A 112 -18.301 10.146 7.617 1.00 2.52 O ATOM 1693 CB ASN A 112 -16.052 7.897 7.042 1.00 52.43 C ATOM 1694 CG ASN A 112 -17.284 6.960 7.037 1.00 60.00 C ATOM 1695 OD1 ASN A 112 -17.136 5.755 6.876 1.00 32.24 O ATOM 1696 ND2 ASN A 112 -18.477 7.475 7.214 1.00 34.13 N ATOM 0 H ASN A 112 -14.214 9.522 6.750 1.00 14.04 H new ATOM 0 HA ASN A 112 -16.871 9.329 5.636 1.00 13.22 H new ATOM 0 HB2 ASN A 112 -15.280 7.448 6.417 1.00 52.43 H new ATOM 0 HB3 ASN A 112 -15.658 7.937 8.057 1.00 52.43 H new ATOM 0 HD21 ASN A 112 -19.298 6.870 7.219 1.00 34.13 H new ATOM 0 HD22 ASN A 112 -18.584 8.481 7.347 1.00 34.13 H new ATOM 1703 N THR A 113 -16.357 10.803 8.498 1.00 21.30 N ATOM 1704 CA THR A 113 -16.988 11.565 9.538 1.00 41.43 C ATOM 1705 C THR A 113 -17.332 12.976 9.074 1.00 63.10 C ATOM 1706 O THR A 113 -16.449 13.825 8.924 1.00 24.54 O ATOM 1707 CB THR A 113 -16.124 11.599 10.820 1.00 35.34 C ATOM 1708 OG1 THR A 113 -14.772 11.953 10.499 1.00 51.54 O ATOM 1709 CG2 THR A 113 -16.143 10.245 11.522 1.00 42.44 C ATOM 0 H THR A 113 -15.337 10.821 8.518 1.00 21.30 H new ATOM 0 HA THR A 113 -17.924 11.061 9.780 1.00 41.43 H new ATOM 0 HB THR A 113 -16.544 12.349 11.490 1.00 35.34 H new ATOM 0 HG1 THR A 113 -14.720 12.229 9.560 1.00 51.54 H new ATOM 0 HG21 THR A 113 -15.529 10.293 12.421 1.00 42.44 H new ATOM 0 HG22 THR A 113 -17.167 9.991 11.795 1.00 42.44 H new ATOM 0 HG23 THR A 113 -15.747 9.482 10.852 1.00 42.44 H new ATOM 1717 N HIS A 114 -18.592 13.187 8.811 1.00 22.12 N ATOM 1718 CA HIS A 114 -19.112 14.459 8.409 1.00 3.42 C ATOM 1719 C HIS A 114 -20.511 14.590 9.022 1.00 24.52 C ATOM 1720 O HIS A 114 -21.510 14.264 8.329 1.00 2.20 O ATOM 1721 CB HIS A 114 -19.161 14.556 6.858 1.00 31.33 C ATOM 1722 CG HIS A 114 -19.693 15.864 6.321 1.00 72.14 C ATOM 1723 ND1 HIS A 114 -20.999 16.248 6.450 1.00 44.22 N ATOM 1724 CD2 HIS A 114 -19.074 16.865 5.648 1.00 35.23 C ATOM 1725 CE1 HIS A 114 -21.154 17.432 5.869 1.00 4.42 C ATOM 1726 NE2 HIS A 114 -20.010 17.863 5.359 1.00 12.14 N ATOM 0 H HIS A 114 -19.302 12.458 8.873 1.00 22.12 H new ATOM 0 HA HIS A 114 -18.474 15.272 8.757 1.00 3.42 H new ATOM 0 HB2 HIS A 114 -18.156 14.401 6.466 1.00 31.33 H new ATOM 0 HB3 HIS A 114 -19.780 13.744 6.477 1.00 31.33 H new ATOM 0 HD1 HIS A 114 -21.733 15.714 6.915 1.00 44.22 H new ATOM 0 HD2 HIS A 114 -18.028 16.888 5.379 1.00 35.23 H new ATOM 0 HE1 HIS A 114 -22.088 17.972 5.819 1.00 4.42 H new TER 1734 HIS A 114