USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 65:sc= 1.02 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.104 (180deg=-0.0555) USER MOD Set 2.1: A 26 THR OG1 : rot 86:sc= 0.661 USER MOD Set 2.2: A 38 THR OG1 : rot -82:sc= 1.54 USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.132 K(o=0.13,f=-1.4) USER MOD Set 3.2: A 25 SER OG : rot 160:sc=-0.000172 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.021 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0255 (180deg=-0.196) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0491 (180deg=-0.299) USER MOD Single : A 21 ASN : amide:sc= 0.0363 K(o=0.036,f=-5.9!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= 1.28 (180deg=0.936) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.46) USER MOD Single : A 60 THR OG1 : rot 128:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4.2!) USER MOD Single : A 69 SER OG : rot 129:sc= 1.34 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -45:sc= 0.0175 USER MOD Single : A 85 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.00093) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 93 SER OG : rot -140:sc= -0.427 USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0.561! (180deg=0.469!) USER MOD Single : A 96 MET CE :methyl 169:sc= -0.0293 (180deg=-0.272) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0925 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -0.577 (180deg=-1.8!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -1 (180deg=-3.94!) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -1.29 (180deg=-3.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.858 -13.082 17.607 1.00 1.40 N ATOM 2 CA MET A 1 20.624 -13.654 18.195 1.00 1.19 C ATOM 3 C MET A 1 19.392 -13.131 17.463 1.00 1.07 C ATOM 4 O MET A 1 18.592 -13.907 16.940 1.00 1.47 O ATOM 5 CB MET A 1 20.533 -13.313 19.685 1.00 1.39 C ATOM 6 CG MET A 1 19.367 -13.989 20.393 1.00 1.77 C ATOM 7 SD MET A 1 19.259 -13.563 22.143 1.00 2.23 S ATOM 8 CE MET A 1 20.729 -14.357 22.790 1.00 2.70 C ATOM 0 H1 MET A 1 22.687 -13.448 18.117 1.00 1.40 H new ATOM 0 H2 MET A 1 21.922 -13.350 16.604 1.00 1.40 H new ATOM 0 H3 MET A 1 21.832 -12.045 17.687 1.00 1.40 H new ATOM 0 HA MET A 1 20.663 -14.738 18.085 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.463 -13.605 20.174 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.439 -12.233 19.797 1.00 1.39 H new ATOM 0 HG2 MET A 1 18.437 -13.708 19.899 1.00 1.77 H new ATOM 0 HG3 MET A 1 19.467 -15.070 20.294 1.00 1.77 H new ATOM 0 HE1 MET A 1 20.664 -14.413 23.877 1.00 2.70 H new ATOM 0 HE2 MET A 1 20.810 -15.363 22.379 1.00 2.70 H new ATOM 0 HE3 MET A 1 21.609 -13.778 22.508 1.00 2.70 H new ATOM 20 N ALA A 2 19.241 -11.815 17.430 1.00 0.86 N ATOM 21 CA ALA A 2 18.113 -11.194 16.754 1.00 0.87 C ATOM 22 C ALA A 2 18.453 -10.910 15.294 1.00 0.72 C ATOM 23 O ALA A 2 19.044 -9.880 14.973 1.00 0.87 O ATOM 24 CB ALA A 2 17.702 -9.915 17.467 1.00 1.10 C ATOM 0 H ALA A 2 19.887 -11.156 17.865 1.00 0.86 H new ATOM 0 HA ALA A 2 17.272 -11.887 16.781 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.857 -9.464 16.947 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.416 -10.146 18.493 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.539 -9.217 17.473 1.00 1.10 H new ATOM 30 N ALA A 3 18.107 -11.846 14.420 1.00 0.71 N ATOM 31 CA ALA A 3 18.366 -11.699 12.995 1.00 0.72 C ATOM 32 C ALA A 3 17.368 -12.511 12.179 1.00 0.70 C ATOM 33 O ALA A 3 17.120 -13.684 12.470 1.00 1.05 O ATOM 34 CB ALA A 3 19.786 -12.133 12.668 1.00 0.96 C ATOM 0 H ALA A 3 17.644 -12.718 14.675 1.00 0.71 H new ATOM 0 HA ALA A 3 18.250 -10.647 12.734 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.965 -12.017 11.599 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.492 -11.515 13.223 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.921 -13.178 12.947 1.00 0.96 H new ATOM 40 N GLN A 4 16.786 -11.878 11.171 1.00 0.66 N ATOM 41 CA GLN A 4 15.816 -12.532 10.304 1.00 0.68 C ATOM 42 C GLN A 4 15.688 -11.770 8.993 1.00 0.66 C ATOM 43 O GLN A 4 15.880 -10.554 8.951 1.00 0.81 O ATOM 44 CB GLN A 4 14.450 -12.631 10.993 1.00 0.83 C ATOM 45 CG GLN A 4 13.888 -11.298 11.462 1.00 0.97 C ATOM 46 CD GLN A 4 12.571 -11.452 12.197 1.00 1.33 C ATOM 47 OE1 GLN A 4 12.546 -11.642 13.411 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.467 -11.382 11.467 1.00 1.63 N ATOM 0 H GLN A 4 16.971 -10.904 10.932 1.00 0.66 H new ATOM 0 HA GLN A 4 16.168 -13.542 10.095 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.741 -13.089 10.304 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.536 -13.298 11.851 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.611 -10.812 12.117 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.746 -10.644 10.602 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.530 -11.223 10.461 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.555 -11.487 11.911 1.00 1.63 H new ATOM 57 N SER A 5 15.399 -12.489 7.922 1.00 0.71 N ATOM 58 CA SER A 5 15.236 -11.881 6.611 1.00 0.76 C ATOM 59 C SER A 5 14.281 -12.715 5.767 1.00 0.73 C ATOM 60 O SER A 5 14.437 -12.831 4.551 1.00 1.11 O ATOM 61 CB SER A 5 16.594 -11.751 5.914 1.00 0.98 C ATOM 62 OG SER A 5 17.506 -11.013 6.713 1.00 1.18 O ATOM 0 H SER A 5 15.272 -13.501 7.934 1.00 0.71 H new ATOM 0 HA SER A 5 14.815 -10.883 6.733 1.00 0.76 H new ATOM 0 HB2 SER A 5 17.000 -12.742 5.713 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.467 -11.257 4.951 1.00 0.98 H new ATOM 0 HG SER A 5 18.366 -10.944 6.249 1.00 1.18 H new ATOM 68 N ASP A 6 13.293 -13.299 6.430 1.00 0.62 N ATOM 69 CA ASP A 6 12.307 -14.132 5.755 1.00 0.68 C ATOM 70 C ASP A 6 11.336 -13.282 4.950 1.00 0.58 C ATOM 71 O ASP A 6 10.895 -12.224 5.405 1.00 0.80 O ATOM 72 CB ASP A 6 11.528 -14.967 6.769 1.00 0.89 C ATOM 73 CG ASP A 6 11.810 -16.449 6.642 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.456 -17.039 5.601 1.00 1.98 O ATOM 75 OD2 ASP A 6 12.381 -17.034 7.590 1.00 2.18 O ATOM 0 H ASP A 6 13.153 -13.211 7.436 1.00 0.62 H new ATOM 0 HA ASP A 6 12.843 -14.795 5.076 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.782 -14.638 7.777 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.461 -14.791 6.635 1.00 0.89 H new ATOM 80 N LYS A 7 11.016 -13.748 3.754 1.00 0.54 N ATOM 81 CA LYS A 7 10.091 -13.049 2.876 1.00 0.58 C ATOM 82 C LYS A 7 8.836 -13.894 2.688 1.00 0.53 C ATOM 83 O LYS A 7 8.922 -15.114 2.531 1.00 0.85 O ATOM 84 CB LYS A 7 10.746 -12.773 1.518 1.00 0.81 C ATOM 85 CG LYS A 7 12.129 -12.148 1.613 1.00 1.05 C ATOM 86 CD LYS A 7 12.057 -10.683 2.010 1.00 1.24 C ATOM 87 CE LYS A 7 13.445 -10.070 2.101 1.00 1.58 C ATOM 88 NZ LYS A 7 13.498 -8.720 1.481 1.00 1.91 N ATOM 0 H LYS A 7 11.387 -14.615 3.366 1.00 0.54 H new ATOM 0 HA LYS A 7 9.823 -12.095 3.329 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.819 -13.709 0.965 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.099 -12.112 0.942 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.726 -12.694 2.343 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.637 -12.240 0.653 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.461 -10.134 1.280 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.551 -10.588 2.971 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.743 -10.001 3.147 1.00 1.58 H new ATOM 0 HE3 LYS A 7 14.164 -10.724 1.607 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 14.461 -8.337 1.564 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 13.239 -8.789 0.476 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 12.831 -8.088 1.968 1.00 1.91 H new ATOM 102 N ASP A 8 7.676 -13.259 2.710 1.00 0.50 N ATOM 103 CA ASP A 8 6.421 -13.982 2.547 1.00 0.54 C ATOM 104 C ASP A 8 5.377 -13.110 1.873 1.00 0.51 C ATOM 105 O ASP A 8 5.291 -11.914 2.142 1.00 0.83 O ATOM 106 CB ASP A 8 5.899 -14.467 3.904 1.00 0.75 C ATOM 107 CG ASP A 8 4.554 -15.156 3.795 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.509 -16.312 3.319 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.535 -14.552 4.192 1.00 1.72 O ATOM 0 H ASP A 8 7.575 -12.252 2.838 1.00 0.50 H new ATOM 0 HA ASP A 8 6.613 -14.847 1.912 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.622 -15.155 4.343 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.815 -13.618 4.582 1.00 0.75 H new ATOM 114 N VAL A 9 4.593 -13.711 0.991 1.00 0.39 N ATOM 115 CA VAL A 9 3.547 -12.988 0.292 1.00 0.35 C ATOM 116 C VAL A 9 2.168 -13.447 0.767 1.00 0.33 C ATOM 117 O VAL A 9 1.765 -14.595 0.559 1.00 0.44 O ATOM 118 CB VAL A 9 3.674 -13.139 -1.245 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.789 -14.600 -1.654 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.502 -12.475 -1.955 1.00 0.47 C ATOM 0 H VAL A 9 4.663 -14.698 0.744 1.00 0.39 H new ATOM 0 HA VAL A 9 3.664 -11.930 0.528 1.00 0.35 H new ATOM 0 HB VAL A 9 4.591 -12.635 -1.549 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.876 -14.668 -2.738 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.672 -15.039 -1.190 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.901 -15.140 -1.327 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.614 -12.595 -3.033 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.571 -12.941 -1.633 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.481 -11.414 -1.708 1.00 0.47 H new ATOM 130 N LYS A 10 1.465 -12.555 1.443 1.00 0.30 N ATOM 131 CA LYS A 10 0.136 -12.855 1.949 1.00 0.34 C ATOM 132 C LYS A 10 -0.910 -12.108 1.135 1.00 0.34 C ATOM 133 O LYS A 10 -0.781 -10.907 0.899 1.00 0.48 O ATOM 134 CB LYS A 10 0.045 -12.461 3.422 1.00 0.42 C ATOM 135 CG LYS A 10 -1.179 -13.008 4.144 1.00 0.93 C ATOM 136 CD LYS A 10 -1.138 -12.684 5.632 1.00 0.98 C ATOM 137 CE LYS A 10 0.015 -13.387 6.337 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.112 -14.864 6.279 1.00 1.97 N ATOM 0 H LYS A 10 1.794 -11.613 1.655 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.051 -13.925 1.858 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.941 -12.810 3.935 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.039 -11.373 3.495 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.082 -12.586 3.703 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.232 -14.088 4.007 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.042 -11.607 5.766 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.080 -12.980 6.094 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.957 -13.086 5.878 1.00 1.27 H new ATOM 0 HE3 LYS A 10 0.051 -13.067 7.378 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 0.570 -15.297 6.934 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -1.077 -15.140 6.551 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 0.082 -15.191 5.311 1.00 1.97 H new ATOM 152 N TYR A 11 -1.936 -12.815 0.692 1.00 0.34 N ATOM 153 CA TYR A 11 -2.991 -12.198 -0.097 1.00 0.35 C ATOM 154 C TYR A 11 -4.037 -11.578 0.815 1.00 0.33 C ATOM 155 O TYR A 11 -4.907 -12.270 1.349 1.00 0.39 O ATOM 156 CB TYR A 11 -3.640 -13.218 -1.034 1.00 0.43 C ATOM 157 CG TYR A 11 -2.839 -13.506 -2.287 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.492 -13.841 -2.212 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.429 -13.452 -3.545 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.759 -14.110 -3.348 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.700 -13.725 -4.689 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.364 -14.053 -4.583 1.00 0.83 C ATOM 163 OH TYR A 11 -0.631 -14.332 -5.712 1.00 1.03 O ATOM 0 H TYR A 11 -2.062 -13.813 0.864 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.545 -11.412 -0.707 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.791 -14.150 -0.490 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.626 -12.854 -1.322 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.011 -13.891 -1.246 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.474 -13.193 -3.631 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.288 -14.365 -3.269 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -3.174 -13.682 -5.659 1.00 0.95 H new ATOM 0 HH TYR A 11 -1.204 -14.249 -6.503 1.00 1.03 H new ATOM 173 N TYR A 12 -3.947 -10.271 0.988 1.00 0.37 N ATOM 174 CA TYR A 12 -4.875 -9.548 1.842 1.00 0.41 C ATOM 175 C TYR A 12 -6.126 -9.161 1.072 1.00 0.42 C ATOM 176 O TYR A 12 -6.121 -9.110 -0.160 1.00 0.45 O ATOM 177 CB TYR A 12 -4.221 -8.286 2.408 1.00 0.45 C ATOM 178 CG TYR A 12 -2.967 -8.541 3.210 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.039 -8.925 4.544 1.00 0.77 C ATOM 180 CD2 TYR A 12 -1.711 -8.395 2.635 1.00 0.70 C ATOM 181 CE1 TYR A 12 -1.894 -9.158 5.280 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.563 -8.627 3.363 1.00 0.82 C ATOM 183 CZ TYR A 12 -0.659 -9.008 4.684 1.00 0.82 C ATOM 184 OH TYR A 12 0.485 -9.240 5.410 1.00 1.02 O ATOM 0 H TYR A 12 -3.238 -9.686 0.547 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.150 -10.209 2.664 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.981 -7.615 1.584 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -4.943 -7.769 3.040 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.005 -9.043 5.012 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.632 -8.095 1.601 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -1.965 -9.456 6.316 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.406 -8.511 2.900 1.00 0.82 H new ATOM 0 HH TYR A 12 1.269 -9.091 4.841 1.00 1.02 H new ATOM 194 N THR A 13 -7.199 -8.907 1.799 1.00 0.47 N ATOM 195 CA THR A 13 -8.453 -8.505 1.195 1.00 0.51 C ATOM 196 C THR A 13 -8.509 -6.986 1.068 1.00 0.47 C ATOM 197 O THR A 13 -7.903 -6.265 1.867 1.00 0.46 O ATOM 198 CB THR A 13 -9.639 -9.012 2.033 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.166 -9.436 3.319 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.340 -10.169 1.336 1.00 0.86 C ATOM 0 H THR A 13 -7.225 -8.973 2.817 1.00 0.47 H new ATOM 0 HA THR A 13 -8.518 -8.945 0.200 1.00 0.51 H new ATOM 0 HB THR A 13 -10.355 -8.199 2.152 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.920 -9.758 3.855 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.175 -10.510 1.948 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.712 -9.838 0.366 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.636 -10.989 1.194 1.00 0.86 H new ATOM 208 N LEU A 14 -9.233 -6.508 0.067 1.00 0.50 N ATOM 209 CA LEU A 14 -9.360 -5.076 -0.182 1.00 0.51 C ATOM 210 C LEU A 14 -10.029 -4.373 0.996 1.00 0.48 C ATOM 211 O LEU A 14 -9.668 -3.255 1.353 1.00 0.51 O ATOM 212 CB LEU A 14 -10.167 -4.836 -1.458 1.00 0.58 C ATOM 213 CG LEU A 14 -10.181 -3.391 -1.959 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.923 -3.083 -2.755 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.425 -3.132 -2.794 1.00 0.95 C ATOM 0 H LEU A 14 -9.746 -7.094 -0.592 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.359 -4.662 -0.305 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.767 -5.473 -2.247 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.195 -5.153 -1.283 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.202 -2.728 -1.094 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.955 -2.050 -3.101 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.048 -3.226 -2.122 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.863 -3.752 -3.614 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.420 -2.099 -3.143 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.434 -3.805 -3.651 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.313 -3.306 -2.187 1.00 0.95 H new ATOM 227 N GLU A 15 -10.985 -5.052 1.608 1.00 0.50 N ATOM 228 CA GLU A 15 -11.723 -4.502 2.739 1.00 0.53 C ATOM 229 C GLU A 15 -10.908 -4.557 4.032 1.00 0.51 C ATOM 230 O GLU A 15 -11.374 -4.123 5.090 1.00 0.61 O ATOM 231 CB GLU A 15 -13.057 -5.239 2.923 1.00 0.61 C ATOM 232 CG GLU A 15 -12.990 -6.742 2.679 1.00 0.67 C ATOM 233 CD GLU A 15 -13.057 -7.099 1.208 1.00 0.76 C ATOM 234 OE1 GLU A 15 -14.165 -7.104 0.640 1.00 1.05 O ATOM 235 OE2 GLU A 15 -11.996 -7.368 0.608 1.00 0.83 O ATOM 0 H GLU A 15 -11.272 -5.993 1.339 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.923 -3.454 2.516 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.417 -5.064 3.937 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.793 -4.806 2.245 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.065 -7.134 3.102 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.812 -7.228 3.205 1.00 0.67 H new ATOM 242 N GLU A 16 -9.696 -5.086 3.953 1.00 0.46 N ATOM 243 CA GLU A 16 -8.837 -5.178 5.126 1.00 0.50 C ATOM 244 C GLU A 16 -7.651 -4.220 5.016 1.00 0.46 C ATOM 245 O GLU A 16 -7.267 -3.581 5.998 1.00 0.51 O ATOM 246 CB GLU A 16 -8.341 -6.615 5.329 1.00 0.58 C ATOM 247 CG GLU A 16 -7.753 -6.863 6.711 1.00 1.05 C ATOM 248 CD GLU A 16 -8.637 -6.325 7.820 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.650 -6.977 8.148 1.00 2.19 O ATOM 250 OE2 GLU A 16 -8.328 -5.243 8.363 1.00 2.32 O ATOM 0 H GLU A 16 -9.286 -5.456 3.095 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.431 -4.890 5.994 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.170 -7.304 5.166 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.586 -6.841 4.576 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.606 -7.934 6.854 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.770 -6.396 6.774 1.00 1.05 H new ATOM 257 N ILE A 17 -7.077 -4.111 3.822 1.00 0.42 N ATOM 258 CA ILE A 17 -5.935 -3.226 3.612 1.00 0.44 C ATOM 259 C ILE A 17 -6.311 -1.767 3.862 1.00 0.43 C ATOM 260 O ILE A 17 -5.527 -1.005 4.423 1.00 0.48 O ATOM 261 CB ILE A 17 -5.319 -3.372 2.196 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.399 -3.477 1.114 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.405 -4.585 2.139 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.791 -2.149 0.503 1.00 0.98 C ATOM 0 H ILE A 17 -7.380 -4.619 2.991 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.180 -3.531 4.336 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.736 -2.472 1.999 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.043 -4.138 0.323 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.286 -3.943 1.544 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.980 -4.674 1.139 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.601 -4.469 2.866 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -4.977 -5.483 2.371 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.559 -2.309 -0.253 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.179 -1.491 1.281 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.917 -1.689 0.041 1.00 0.98 H new ATOM 276 N LYS A 18 -7.529 -1.392 3.480 1.00 0.42 N ATOM 277 CA LYS A 18 -7.998 -0.025 3.669 1.00 0.48 C ATOM 278 C LYS A 18 -8.712 0.122 5.010 1.00 0.50 C ATOM 279 O LYS A 18 -9.444 1.081 5.240 1.00 0.63 O ATOM 280 CB LYS A 18 -8.923 0.400 2.522 1.00 0.56 C ATOM 281 CG LYS A 18 -10.203 -0.417 2.419 1.00 0.53 C ATOM 282 CD LYS A 18 -11.439 0.464 2.491 1.00 0.87 C ATOM 283 CE LYS A 18 -11.478 1.479 1.356 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.547 2.491 1.549 1.00 1.48 N ATOM 0 H LYS A 18 -8.206 -2.014 3.039 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.127 0.631 3.668 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.185 1.450 2.651 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.378 0.321 1.582 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.206 -0.972 1.481 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.232 -1.151 3.224 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.332 -0.159 2.452 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.457 0.987 3.447 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.513 1.981 1.285 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.637 0.960 0.411 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.538 3.162 0.754 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.471 2.016 1.591 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.382 3.005 2.438 1.00 1.48 H new ATOM 298 N LYS A 19 -8.502 -0.849 5.884 1.00 0.47 N ATOM 299 CA LYS A 19 -9.106 -0.835 7.210 1.00 0.53 C ATOM 300 C LYS A 19 -8.013 -0.780 8.270 1.00 0.54 C ATOM 301 O LYS A 19 -8.280 -0.736 9.471 1.00 0.67 O ATOM 302 CB LYS A 19 -9.973 -2.084 7.404 1.00 0.60 C ATOM 303 CG LYS A 19 -10.990 -1.974 8.536 1.00 0.84 C ATOM 304 CD LYS A 19 -12.061 -0.935 8.238 1.00 1.09 C ATOM 305 CE LYS A 19 -12.966 -1.366 7.093 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.720 -2.609 7.412 1.00 1.68 N ATOM 0 H LYS A 19 -7.915 -1.662 5.699 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.739 0.047 7.308 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.503 -2.292 6.474 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.322 -2.937 7.598 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.460 -2.944 8.697 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.477 -1.711 9.461 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.662 -0.766 9.132 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.587 0.014 7.988 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.669 -0.565 6.866 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.365 -1.527 6.198 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.497 -2.728 6.732 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.081 -3.427 7.354 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.109 -2.542 8.374 1.00 1.68 H new ATOM 320 N HIS A 20 -6.775 -0.779 7.807 1.00 0.55 N ATOM 321 CA HIS A 20 -5.622 -0.740 8.694 1.00 0.59 C ATOM 322 C HIS A 20 -4.852 0.569 8.536 1.00 0.58 C ATOM 323 O HIS A 20 -3.904 0.832 9.272 1.00 0.66 O ATOM 324 CB HIS A 20 -4.703 -1.928 8.405 1.00 0.68 C ATOM 325 CG HIS A 20 -4.916 -3.093 9.328 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.930 -4.017 9.165 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.235 -3.481 10.432 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.858 -4.919 10.129 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.840 -4.617 10.908 1.00 1.13 N ATOM 0 H HIS A 20 -6.540 -0.805 6.815 1.00 0.55 H new ATOM 0 HA HIS A 20 -5.979 -0.801 9.722 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.860 -2.256 7.378 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.666 -1.601 8.480 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.625 -4.005 8.418 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.375 -2.988 10.859 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.522 -5.761 10.256 1.00 1.07 H new ATOM 338 N ASN A 21 -5.288 1.396 7.596 1.00 0.58 N ATOM 339 CA ASN A 21 -4.633 2.676 7.324 1.00 0.61 C ATOM 340 C ASN A 21 -4.924 3.701 8.424 1.00 0.60 C ATOM 341 O ASN A 21 -5.816 4.543 8.300 1.00 0.75 O ATOM 342 CB ASN A 21 -5.059 3.220 5.946 1.00 0.72 C ATOM 343 CG ASN A 21 -6.570 3.348 5.779 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.345 2.681 6.465 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.998 4.188 4.850 1.00 0.88 N ATOM 0 H ASN A 21 -6.097 1.205 7.004 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.557 2.502 7.312 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.601 4.197 5.793 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.671 2.561 5.169 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.998 4.298 4.684 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.327 4.725 4.300 1.00 0.88 H new ATOM 352 N HIS A 22 -4.173 3.617 9.514 1.00 0.64 N ATOM 353 CA HIS A 22 -4.356 4.533 10.632 1.00 0.76 C ATOM 354 C HIS A 22 -3.042 5.203 11.023 1.00 0.88 C ATOM 355 O HIS A 22 -2.772 6.329 10.614 1.00 1.61 O ATOM 356 CB HIS A 22 -4.962 3.805 11.838 1.00 0.83 C ATOM 357 CG HIS A 22 -6.408 3.451 11.663 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.436 4.253 12.101 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.996 2.378 11.084 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.590 3.692 11.803 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.355 2.552 11.182 1.00 1.09 N ATOM 0 H HIS A 22 -3.434 2.927 9.648 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.048 5.311 10.310 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.394 2.894 12.024 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.855 4.434 12.722 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.490 1.540 10.629 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.565 4.097 12.029 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.064 1.907 10.833 1.00 1.09 H new ATOM 370 N SER A 23 -2.224 4.514 11.810 1.00 0.60 N ATOM 371 CA SER A 23 -0.960 5.082 12.259 1.00 0.62 C ATOM 372 C SER A 23 0.158 4.041 12.310 1.00 0.52 C ATOM 373 O SER A 23 1.264 4.277 11.822 1.00 0.62 O ATOM 374 CB SER A 23 -1.150 5.694 13.645 1.00 0.84 C ATOM 375 OG SER A 23 -2.052 4.909 14.413 1.00 1.32 O ATOM 0 H SER A 23 -2.411 3.570 12.148 1.00 0.60 H new ATOM 0 HA SER A 23 -0.663 5.845 11.539 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.189 5.760 14.156 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.531 6.711 13.552 1.00 0.84 H new ATOM 0 HG SER A 23 -2.163 5.312 15.299 1.00 1.32 H new ATOM 381 N LYS A 24 -0.126 2.894 12.915 1.00 0.51 N ATOM 382 CA LYS A 24 0.874 1.836 13.044 1.00 0.51 C ATOM 383 C LYS A 24 0.650 0.705 12.043 1.00 0.44 C ATOM 384 O LYS A 24 1.269 -0.350 12.142 1.00 0.45 O ATOM 385 CB LYS A 24 0.888 1.285 14.474 1.00 0.71 C ATOM 386 CG LYS A 24 -0.494 0.976 15.029 1.00 0.97 C ATOM 387 CD LYS A 24 -0.697 1.615 16.394 1.00 1.41 C ATOM 388 CE LYS A 24 0.241 1.025 17.437 1.00 1.88 C ATOM 389 NZ LYS A 24 0.339 1.883 18.648 1.00 2.36 N ATOM 0 H LYS A 24 -1.034 2.671 13.322 1.00 0.51 H new ATOM 0 HA LYS A 24 1.844 2.280 12.821 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.489 0.376 14.497 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.378 2.008 15.127 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.255 1.339 14.338 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.624 -0.103 15.108 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.530 2.690 16.321 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -1.730 1.474 16.712 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -0.112 0.034 17.723 1.00 1.88 H new ATOM 0 HE3 LYS A 24 1.232 0.897 17.002 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 0.988 1.444 19.333 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.700 2.821 18.381 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.602 1.984 19.079 1.00 2.36 H new ATOM 403 N SER A 25 -0.231 0.926 11.078 1.00 0.43 N ATOM 404 CA SER A 25 -0.511 -0.079 10.056 1.00 0.42 C ATOM 405 C SER A 25 -0.817 0.596 8.722 1.00 0.42 C ATOM 406 O SER A 25 -1.561 0.068 7.895 1.00 0.50 O ATOM 407 CB SER A 25 -1.680 -0.968 10.489 1.00 0.48 C ATOM 408 OG SER A 25 -1.432 -1.559 11.756 1.00 0.83 O ATOM 0 H SER A 25 -0.765 1.790 10.979 1.00 0.43 H new ATOM 0 HA SER A 25 0.371 -0.707 9.932 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.594 -0.376 10.533 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.842 -1.749 9.746 1.00 0.48 H new ATOM 0 HG SER A 25 -2.280 -1.847 12.154 1.00 0.83 H new ATOM 414 N THR A 26 -0.223 1.763 8.523 1.00 0.42 N ATOM 415 CA THR A 26 -0.415 2.537 7.306 1.00 0.43 C ATOM 416 C THR A 26 0.298 1.881 6.126 1.00 0.36 C ATOM 417 O THR A 26 1.497 2.079 5.919 1.00 0.41 O ATOM 418 CB THR A 26 0.107 3.968 7.509 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.050 4.336 8.885 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.640 4.959 6.634 1.00 0.56 C ATOM 0 H THR A 26 0.404 2.199 9.199 1.00 0.42 H new ATOM 0 HA THR A 26 -1.482 2.572 7.084 1.00 0.43 H new ATOM 0 HB THR A 26 1.160 3.992 7.227 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.726 4.025 9.397 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.246 5.961 6.802 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.510 4.689 5.586 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.700 4.939 6.885 1.00 0.56 H new ATOM 428 N TRP A 27 -0.444 1.082 5.369 1.00 0.35 N ATOM 429 CA TRP A 27 0.109 0.381 4.219 1.00 0.33 C ATOM 430 C TRP A 27 -0.317 1.041 2.913 1.00 0.32 C ATOM 431 O TRP A 27 -1.418 1.591 2.808 1.00 0.36 O ATOM 432 CB TRP A 27 -0.343 -1.083 4.223 1.00 0.38 C ATOM 433 CG TRP A 27 0.157 -1.875 5.395 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.193 -1.555 6.227 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.356 -3.128 5.861 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.351 -2.531 7.178 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.413 -3.507 6.974 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.393 -3.966 5.443 1.00 0.56 C ATOM 439 CZ2 TRP A 27 0.178 -4.686 7.675 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -1.624 -5.138 6.138 1.00 0.68 C ATOM 441 CH2 TRP A 27 -0.841 -5.488 7.244 1.00 0.71 C ATOM 0 H TRP A 27 -1.435 0.903 5.533 1.00 0.35 H new ATOM 0 HA TRP A 27 1.196 0.428 4.292 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.432 -1.116 4.214 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.002 -1.560 3.304 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.799 -0.664 6.147 1.00 0.43 H new ATOM 0 HE1 TRP A 27 2.054 -2.530 7.917 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.003 -3.702 4.592 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.780 -4.958 8.530 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -2.422 -5.794 5.823 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.046 -6.410 7.767 1.00 0.71 H new ATOM 452 N LEU A 28 0.559 0.982 1.920 1.00 0.32 N ATOM 453 CA LEU A 28 0.276 1.547 0.610 1.00 0.33 C ATOM 454 C LEU A 28 0.329 0.446 -0.438 1.00 0.32 C ATOM 455 O LEU A 28 1.080 -0.518 -0.290 1.00 0.32 O ATOM 456 CB LEU A 28 1.274 2.653 0.257 1.00 0.36 C ATOM 457 CG LEU A 28 0.965 4.025 0.861 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.955 4.359 1.964 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.985 5.097 -0.218 1.00 0.99 C ATOM 0 H LEU A 28 1.477 0.545 1.999 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.721 1.988 0.631 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.266 2.344 0.586 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.314 2.752 -0.828 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.034 3.993 1.297 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.719 5.338 2.381 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.893 3.606 2.749 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.965 4.373 1.554 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.763 6.066 0.228 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.971 5.128 -0.682 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.235 4.866 -0.975 1.00 0.99 H new ATOM 471 N ILE A 29 -0.467 0.583 -1.484 1.00 0.35 N ATOM 472 CA ILE A 29 -0.501 -0.415 -2.541 1.00 0.36 C ATOM 473 C ILE A 29 0.069 0.149 -3.833 1.00 0.36 C ATOM 474 O ILE A 29 -0.347 1.209 -4.302 1.00 0.39 O ATOM 475 CB ILE A 29 -1.938 -0.917 -2.791 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.554 -1.423 -1.487 1.00 0.50 C ATOM 477 CG2 ILE A 29 -1.953 -2.016 -3.843 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.044 -1.649 -1.572 1.00 0.80 C ATOM 0 H ILE A 29 -1.097 1.373 -1.625 1.00 0.35 H new ATOM 0 HA ILE A 29 0.111 -1.255 -2.214 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.533 -0.082 -3.162 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.069 -2.357 -1.204 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.348 -0.704 -0.694 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -2.977 -2.354 -4.002 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.549 -1.630 -4.779 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.344 -2.853 -3.503 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.413 -2.008 -0.611 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.540 -0.712 -1.825 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.256 -2.391 -2.342 1.00 0.80 H new ATOM 490 N LEU A 30 1.041 -0.553 -4.389 1.00 0.34 N ATOM 491 CA LEU A 30 1.674 -0.148 -5.629 1.00 0.37 C ATOM 492 C LEU A 30 1.763 -1.346 -6.555 1.00 0.38 C ATOM 493 O LEU A 30 2.338 -2.369 -6.190 1.00 0.38 O ATOM 494 CB LEU A 30 3.074 0.413 -5.370 1.00 0.38 C ATOM 495 CG LEU A 30 3.147 1.544 -4.345 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.583 1.765 -3.909 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.562 2.828 -4.914 1.00 0.48 C ATOM 0 H LEU A 30 1.412 -1.417 -3.994 1.00 0.34 H new ATOM 0 HA LEU A 30 1.075 0.636 -6.091 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.717 -0.401 -5.034 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.483 0.774 -6.314 1.00 0.38 H new ATOM 0 HG LEU A 30 2.556 1.257 -3.475 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.621 2.573 -3.179 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.971 0.851 -3.459 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.190 2.030 -4.775 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.625 3.619 -4.167 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.123 3.122 -5.801 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.518 2.665 -5.182 1.00 0.48 H new ATOM 509 N HIS A 31 1.176 -1.223 -7.739 1.00 0.41 N ATOM 510 CA HIS A 31 1.169 -2.300 -8.725 1.00 0.43 C ATOM 511 C HIS A 31 0.389 -3.492 -8.186 1.00 0.42 C ATOM 512 O HIS A 31 0.706 -4.645 -8.482 1.00 0.45 O ATOM 513 CB HIS A 31 2.595 -2.726 -9.106 1.00 0.47 C ATOM 514 CG HIS A 31 3.329 -1.723 -9.943 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.130 -1.584 -11.296 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.271 -0.809 -9.609 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.914 -0.628 -11.760 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.617 -0.140 -10.758 1.00 1.18 N ATOM 0 H HIS A 31 0.693 -0.378 -8.043 1.00 0.41 H new ATOM 0 HA HIS A 31 0.683 -1.928 -9.627 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.164 -2.909 -8.194 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.548 -3.671 -9.648 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.675 -0.638 -8.622 1.00 1.10 H new ATOM 0 HE1 HIS A 31 3.970 -0.301 -12.788 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.305 0.611 -10.824 1.00 1.18 H new ATOM 527 N HIS A 32 -0.631 -3.187 -7.383 1.00 0.42 N ATOM 528 CA HIS A 32 -1.499 -4.198 -6.773 1.00 0.44 C ATOM 529 C HIS A 32 -0.749 -5.016 -5.720 1.00 0.40 C ATOM 530 O HIS A 32 -1.186 -6.103 -5.331 1.00 0.44 O ATOM 531 CB HIS A 32 -2.121 -5.108 -7.841 1.00 0.52 C ATOM 532 CG HIS A 32 -2.997 -4.369 -8.808 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.007 -4.616 -10.163 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.894 -3.374 -8.605 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.868 -3.806 -10.749 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.422 -3.042 -9.827 1.00 0.97 N ATOM 0 H HIS A 32 -0.880 -2.229 -7.136 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.309 -3.674 -6.266 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.324 -5.609 -8.391 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.707 -5.885 -7.351 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.147 -2.925 -7.656 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.083 -3.774 -11.807 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.126 -2.323 -9.995 1.00 0.97 H new ATOM 545 N LYS A 33 0.379 -4.484 -5.261 1.00 0.37 N ATOM 546 CA LYS A 33 1.192 -5.130 -4.236 1.00 0.37 C ATOM 547 C LYS A 33 1.105 -4.319 -2.948 1.00 0.33 C ATOM 548 O LYS A 33 1.105 -3.087 -2.988 1.00 0.36 O ATOM 549 CB LYS A 33 2.655 -5.234 -4.679 1.00 0.40 C ATOM 550 CG LYS A 33 2.836 -5.595 -6.146 1.00 0.57 C ATOM 551 CD LYS A 33 3.237 -7.049 -6.319 1.00 0.79 C ATOM 552 CE LYS A 33 3.336 -7.429 -7.786 1.00 0.94 C ATOM 553 NZ LYS A 33 3.773 -8.839 -7.967 1.00 1.02 N ATOM 0 H LYS A 33 0.755 -3.594 -5.588 1.00 0.37 H new ATOM 0 HA LYS A 33 0.813 -6.139 -4.073 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.150 -4.282 -4.486 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.156 -5.984 -4.067 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.907 -5.407 -6.685 1.00 0.57 H new ATOM 0 HG3 LYS A 33 3.597 -4.952 -6.588 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.196 -7.223 -5.832 1.00 0.79 H new ATOM 0 HD3 LYS A 33 2.507 -7.690 -5.825 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.367 -7.285 -8.264 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.040 -6.764 -8.286 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 3.191 -9.291 -8.701 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.772 -8.858 -8.257 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.662 -9.355 -7.071 1.00 1.02 H new ATOM 567 N VAL A 34 1.041 -4.997 -1.813 1.00 0.30 N ATOM 568 CA VAL A 34 0.932 -4.317 -0.528 1.00 0.30 C ATOM 569 C VAL A 34 2.311 -4.072 0.080 1.00 0.27 C ATOM 570 O VAL A 34 3.090 -5.008 0.273 1.00 0.28 O ATOM 571 CB VAL A 34 0.076 -5.125 0.473 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.271 -4.281 1.689 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.191 -5.639 -0.191 1.00 0.35 C ATOM 0 H VAL A 34 1.062 -6.015 -1.753 1.00 0.30 H new ATOM 0 HA VAL A 34 0.443 -3.361 -0.718 1.00 0.30 H new ATOM 0 HB VAL A 34 0.664 -5.982 0.803 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.874 -4.870 2.380 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.646 -3.965 2.186 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.834 -3.403 1.374 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.777 -6.205 0.533 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.779 -4.796 -0.555 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -0.927 -6.285 -1.028 1.00 0.35 H new ATOM 583 N TYR A 35 2.604 -2.811 0.377 1.00 0.28 N ATOM 584 CA TYR A 35 3.884 -2.439 0.960 1.00 0.28 C ATOM 585 C TYR A 35 3.698 -1.786 2.324 1.00 0.30 C ATOM 586 O TYR A 35 2.868 -0.888 2.487 1.00 0.32 O ATOM 587 CB TYR A 35 4.638 -1.490 0.028 1.00 0.31 C ATOM 588 CG TYR A 35 5.007 -2.115 -1.300 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.124 -2.932 -1.415 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.235 -1.898 -2.434 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.464 -3.511 -2.622 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.568 -2.475 -3.645 1.00 0.47 C ATOM 593 CZ TYR A 35 5.683 -3.280 -3.733 1.00 0.41 C ATOM 594 OH TYR A 35 6.015 -3.855 -4.937 1.00 0.48 O ATOM 0 H TYR A 35 1.969 -2.028 0.222 1.00 0.28 H new ATOM 0 HA TYR A 35 4.468 -3.350 1.092 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.024 -0.607 -0.153 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.546 -1.150 0.526 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.737 -3.118 -0.546 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.360 -1.268 -2.368 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.338 -4.142 -2.694 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.958 -2.296 -4.518 1.00 0.47 H new ATOM 0 HH TYR A 35 5.360 -3.591 -5.617 1.00 0.48 H new ATOM 604 N ASP A 36 4.469 -2.249 3.296 1.00 0.32 N ATOM 605 CA ASP A 36 4.411 -1.713 4.647 1.00 0.36 C ATOM 606 C ASP A 36 5.542 -0.726 4.878 1.00 0.38 C ATOM 607 O ASP A 36 6.720 -1.086 4.836 1.00 0.50 O ATOM 608 CB ASP A 36 4.497 -2.830 5.690 1.00 0.43 C ATOM 609 CG ASP A 36 4.871 -2.304 7.069 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.183 -1.388 7.570 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.864 -2.800 7.651 1.00 1.28 O ATOM 0 H ASP A 36 5.147 -3.001 3.172 1.00 0.32 H new ATOM 0 HA ASP A 36 3.454 -1.203 4.755 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.538 -3.345 5.748 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.235 -3.566 5.371 1.00 0.43 H new ATOM 616 N LEU A 37 5.177 0.519 5.105 1.00 0.37 N ATOM 617 CA LEU A 37 6.144 1.569 5.364 1.00 0.43 C ATOM 618 C LEU A 37 5.554 2.549 6.359 1.00 0.37 C ATOM 619 O LEU A 37 5.848 3.743 6.337 1.00 0.40 O ATOM 620 CB LEU A 37 6.537 2.287 4.068 1.00 0.56 C ATOM 621 CG LEU A 37 5.387 2.952 3.309 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.876 4.208 2.606 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.781 1.981 2.307 1.00 0.80 C ATOM 0 H LEU A 37 4.206 0.832 5.115 1.00 0.37 H new ATOM 0 HA LEU A 37 7.049 1.126 5.780 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.280 3.048 4.306 1.00 0.56 H new ATOM 0 HB3 LEU A 37 7.018 1.567 3.406 1.00 0.56 H new ATOM 0 HG LEU A 37 4.615 3.234 4.024 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.047 4.671 2.070 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.268 4.909 3.343 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.664 3.946 1.900 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.964 2.469 1.775 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.544 1.671 1.593 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.399 1.106 2.833 1.00 0.80 H new ATOM 635 N THR A 38 4.739 2.012 7.258 1.00 0.34 N ATOM 636 CA THR A 38 4.072 2.809 8.273 1.00 0.36 C ATOM 637 C THR A 38 5.080 3.492 9.200 1.00 0.38 C ATOM 638 O THR A 38 4.756 4.474 9.869 1.00 0.44 O ATOM 639 CB THR A 38 3.090 1.942 9.095 1.00 0.41 C ATOM 640 OG1 THR A 38 2.143 2.775 9.774 1.00 0.48 O ATOM 641 CG2 THR A 38 3.823 1.063 10.105 1.00 0.48 C ATOM 0 H THR A 38 4.524 1.016 7.302 1.00 0.34 H new ATOM 0 HA THR A 38 3.506 3.586 7.759 1.00 0.36 H new ATOM 0 HB THR A 38 2.566 1.288 8.398 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.541 3.115 10.602 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.099 0.469 10.663 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.509 0.399 9.579 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.385 1.693 10.795 1.00 0.48 H new ATOM 649 N LYS A 39 6.303 2.981 9.225 1.00 0.39 N ATOM 650 CA LYS A 39 7.347 3.549 10.062 1.00 0.47 C ATOM 651 C LYS A 39 8.320 4.379 9.229 1.00 0.47 C ATOM 652 O LYS A 39 9.337 4.848 9.733 1.00 0.59 O ATOM 653 CB LYS A 39 8.099 2.445 10.808 1.00 0.56 C ATOM 654 CG LYS A 39 7.781 2.398 12.294 1.00 0.75 C ATOM 655 CD LYS A 39 8.305 3.629 13.008 1.00 0.92 C ATOM 656 CE LYS A 39 7.657 3.805 14.369 1.00 1.27 C ATOM 657 NZ LYS A 39 7.966 5.135 14.947 1.00 1.50 N ATOM 0 H LYS A 39 6.595 2.174 8.674 1.00 0.39 H new ATOM 0 HA LYS A 39 6.873 4.204 10.793 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.854 1.482 10.361 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.171 2.593 10.678 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.703 2.324 12.435 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.222 1.504 12.735 1.00 0.75 H new ATOM 0 HD2 LYS A 39 9.386 3.549 13.127 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.116 4.512 12.398 1.00 0.92 H new ATOM 0 HE2 LYS A 39 6.577 3.688 14.277 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.006 3.023 15.044 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 7.509 5.224 15.877 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 8.995 5.235 15.056 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.611 5.880 14.314 1.00 1.50 H new ATOM 671 N PHE A 40 8.007 4.560 7.950 1.00 0.40 N ATOM 672 CA PHE A 40 8.867 5.333 7.059 1.00 0.44 C ATOM 673 C PHE A 40 8.086 6.458 6.390 1.00 0.40 C ATOM 674 O PHE A 40 8.574 7.102 5.463 1.00 0.42 O ATOM 675 CB PHE A 40 9.483 4.419 5.996 1.00 0.52 C ATOM 676 CG PHE A 40 10.529 3.484 6.533 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.857 3.870 6.586 1.00 1.77 C ATOM 678 CD2 PHE A 40 10.182 2.220 6.980 1.00 1.66 C ATOM 679 CE1 PHE A 40 12.823 3.009 7.075 1.00 2.45 C ATOM 680 CE2 PHE A 40 11.142 1.356 7.469 1.00 2.39 C ATOM 681 CZ PHE A 40 12.464 1.751 7.519 1.00 2.68 C ATOM 0 H PHE A 40 7.168 4.184 7.508 1.00 0.40 H new ATOM 0 HA PHE A 40 9.665 5.776 7.655 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.690 3.834 5.530 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.927 5.035 5.214 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.142 4.853 6.242 1.00 1.77 H new ATOM 0 HD2 PHE A 40 9.149 1.906 6.946 1.00 1.66 H new ATOM 0 HE1 PHE A 40 13.857 3.320 7.110 1.00 2.45 H new ATOM 0 HE2 PHE A 40 10.859 0.372 7.812 1.00 2.39 H new ATOM 0 HZ PHE A 40 13.216 1.078 7.904 1.00 2.68 H new ATOM 691 N LEU A 41 6.876 6.695 6.880 1.00 0.39 N ATOM 692 CA LEU A 41 6.011 7.737 6.336 1.00 0.43 C ATOM 693 C LEU A 41 6.673 9.105 6.438 1.00 0.44 C ATOM 694 O LEU A 41 6.762 9.840 5.456 1.00 0.47 O ATOM 695 CB LEU A 41 4.674 7.765 7.082 1.00 0.49 C ATOM 696 CG LEU A 41 3.884 6.454 7.079 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.722 6.535 8.056 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.383 6.135 5.679 1.00 0.59 C ATOM 0 H LEU A 41 6.468 6.177 7.658 1.00 0.39 H new ATOM 0 HA LEU A 41 5.836 7.507 5.285 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.862 8.052 8.117 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.051 8.544 6.644 1.00 0.49 H new ATOM 0 HG LEU A 41 4.548 5.650 7.396 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.169 5.596 8.043 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.103 6.718 9.061 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.059 7.350 7.766 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.824 5.200 5.697 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.734 6.939 5.333 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.232 6.037 5.002 1.00 0.59 H new ATOM 710 N GLU A 42 7.158 9.432 7.629 1.00 0.49 N ATOM 711 CA GLU A 42 7.811 10.718 7.867 1.00 0.56 C ATOM 712 C GLU A 42 9.262 10.707 7.390 1.00 0.54 C ATOM 713 O GLU A 42 9.988 11.686 7.555 1.00 0.66 O ATOM 714 CB GLU A 42 7.756 11.071 9.354 1.00 0.67 C ATOM 715 CG GLU A 42 8.420 10.042 10.255 1.00 0.72 C ATOM 716 CD GLU A 42 8.444 10.474 11.707 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.706 11.665 11.975 1.00 1.40 O ATOM 718 OE2 GLU A 42 8.206 9.620 12.588 1.00 1.50 O ATOM 0 H GLU A 42 7.113 8.825 8.448 1.00 0.49 H new ATOM 0 HA GLU A 42 7.273 11.474 7.294 1.00 0.56 H new ATOM 0 HB2 GLU A 42 8.237 12.037 9.506 1.00 0.67 H new ATOM 0 HB3 GLU A 42 6.714 11.183 9.653 1.00 0.67 H new ATOM 0 HG2 GLU A 42 7.890 9.093 10.170 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.441 9.869 9.914 1.00 0.72 H new ATOM 725 N GLU A 43 9.678 9.599 6.799 1.00 0.48 N ATOM 726 CA GLU A 43 11.040 9.468 6.298 1.00 0.50 C ATOM 727 C GLU A 43 11.048 9.487 4.775 1.00 0.43 C ATOM 728 O GLU A 43 12.086 9.293 4.139 1.00 0.54 O ATOM 729 CB GLU A 43 11.673 8.177 6.818 1.00 0.58 C ATOM 730 CG GLU A 43 11.733 8.096 8.336 1.00 0.76 C ATOM 731 CD GLU A 43 13.081 7.626 8.839 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.108 8.203 8.423 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.124 6.680 9.651 1.00 1.56 O ATOM 0 H GLU A 43 9.093 8.776 6.653 1.00 0.48 H new ATOM 0 HA GLU A 43 11.627 10.313 6.658 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.106 7.326 6.439 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.683 8.091 6.418 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.513 9.077 8.758 1.00 0.76 H new ATOM 0 HG3 GLU A 43 10.959 7.416 8.691 1.00 0.76 H new ATOM 740 N HIS A 44 9.882 9.730 4.204 1.00 0.43 N ATOM 741 CA HIS A 44 9.727 9.774 2.761 1.00 0.39 C ATOM 742 C HIS A 44 9.943 11.199 2.250 1.00 0.43 C ATOM 743 O HIS A 44 9.363 12.148 2.784 1.00 0.51 O ATOM 744 CB HIS A 44 8.331 9.268 2.381 1.00 0.41 C ATOM 745 CG HIS A 44 8.064 9.261 0.906 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.344 10.238 0.255 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.445 8.375 -0.049 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.309 9.924 -1.045 1.00 0.40 C ATOM 749 NE2 HIS A 44 7.963 8.804 -1.282 1.00 0.41 N ATOM 0 H HIS A 44 9.021 9.901 4.723 1.00 0.43 H new ATOM 0 HA HIS A 44 10.474 9.130 2.297 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.205 8.256 2.767 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.584 9.892 2.872 1.00 0.41 H new ATOM 0 HD1 HIS A 44 6.914 11.056 0.687 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.028 7.482 0.121 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.810 10.511 -1.802 1.00 0.40 H new ATOM 757 N PRO A 45 10.778 11.361 1.209 1.00 0.44 N ATOM 758 CA PRO A 45 11.073 12.674 0.623 1.00 0.53 C ATOM 759 C PRO A 45 9.824 13.341 0.052 1.00 0.62 C ATOM 760 O PRO A 45 9.271 12.897 -0.956 1.00 1.11 O ATOM 761 CB PRO A 45 12.075 12.359 -0.497 1.00 0.58 C ATOM 762 CG PRO A 45 11.889 10.913 -0.789 1.00 0.56 C ATOM 763 CD PRO A 45 11.491 10.278 0.512 1.00 0.44 C ATOM 0 HA PRO A 45 11.459 13.373 1.365 1.00 0.53 H new ATOM 0 HB2 PRO A 45 11.882 12.967 -1.381 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.097 12.569 -0.182 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.121 10.763 -1.548 1.00 0.56 H new ATOM 0 HG3 PRO A 45 12.808 10.471 -1.174 1.00 0.56 H new ATOM 0 HD2 PRO A 45 10.852 9.409 0.357 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.359 9.938 1.077 1.00 0.44 H new ATOM 771 N GLY A 46 9.387 14.402 0.704 1.00 0.75 N ATOM 772 CA GLY A 46 8.207 15.113 0.265 1.00 0.82 C ATOM 773 C GLY A 46 7.160 15.181 1.356 1.00 0.83 C ATOM 774 O GLY A 46 6.240 15.995 1.300 1.00 1.38 O ATOM 0 H GLY A 46 9.832 14.788 1.537 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.482 16.123 -0.040 1.00 0.82 H new ATOM 0 HA3 GLY A 46 7.788 14.618 -0.612 1.00 0.82 H new ATOM 778 N GLY A 47 7.297 14.319 2.353 1.00 0.66 N ATOM 779 CA GLY A 47 6.350 14.306 3.446 1.00 0.67 C ATOM 780 C GLY A 47 5.450 13.088 3.428 1.00 0.60 C ATOM 781 O GLY A 47 5.494 12.287 2.492 1.00 0.64 O ATOM 0 H GLY A 47 8.046 13.630 2.424 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.892 14.337 4.391 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.737 15.206 3.400 1.00 0.67 H new ATOM 785 N GLU A 48 4.621 12.953 4.456 1.00 0.61 N ATOM 786 CA GLU A 48 3.712 11.820 4.549 1.00 0.63 C ATOM 787 C GLU A 48 2.320 12.192 4.041 1.00 0.63 C ATOM 788 O GLU A 48 1.439 11.336 3.957 1.00 0.65 O ATOM 789 CB GLU A 48 3.631 11.301 5.993 1.00 0.76 C ATOM 790 CG GLU A 48 2.652 12.058 6.877 1.00 0.95 C ATOM 791 CD GLU A 48 3.333 13.038 7.807 1.00 1.21 C ATOM 792 OE1 GLU A 48 3.688 14.146 7.350 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.510 12.713 9.000 1.00 1.86 O ATOM 0 H GLU A 48 4.560 13.611 5.233 1.00 0.61 H new ATOM 0 HA GLU A 48 4.107 11.024 3.917 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.346 10.249 5.973 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.623 11.354 6.442 1.00 0.76 H new ATOM 0 HG2 GLU A 48 1.943 12.595 6.247 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.077 11.344 7.467 1.00 0.95 H new ATOM 800 N GLU A 49 2.136 13.459 3.679 1.00 0.66 N ATOM 801 CA GLU A 49 0.847 13.947 3.191 1.00 0.74 C ATOM 802 C GLU A 49 0.367 13.130 1.992 1.00 0.68 C ATOM 803 O GLU A 49 -0.756 12.622 1.984 1.00 0.72 O ATOM 804 CB GLU A 49 0.949 15.426 2.810 1.00 0.86 C ATOM 805 CG GLU A 49 -0.384 16.049 2.431 1.00 1.10 C ATOM 806 CD GLU A 49 -1.322 16.184 3.611 1.00 1.32 C ATOM 807 OE1 GLU A 49 -2.008 15.197 3.952 1.00 1.81 O ATOM 808 OE2 GLU A 49 -1.388 17.283 4.197 1.00 1.69 O ATOM 0 H GLU A 49 2.866 14.170 3.714 1.00 0.66 H new ATOM 0 HA GLU A 49 0.119 13.835 3.994 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.375 15.980 3.647 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.640 15.531 1.974 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.210 17.033 1.996 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.859 15.440 1.662 1.00 1.10 H new ATOM 815 N VAL A 50 1.232 12.974 1.000 1.00 0.63 N ATOM 816 CA VAL A 50 0.888 12.220 -0.201 1.00 0.60 C ATOM 817 C VAL A 50 0.759 10.723 0.089 1.00 0.54 C ATOM 818 O VAL A 50 0.218 9.972 -0.719 1.00 0.54 O ATOM 819 CB VAL A 50 1.930 12.427 -1.320 1.00 0.64 C ATOM 820 CG1 VAL A 50 1.915 13.867 -1.807 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.322 12.032 -0.850 1.00 0.62 C ATOM 0 H VAL A 50 2.177 13.358 1.001 1.00 0.63 H new ATOM 0 HA VAL A 50 -0.076 12.602 -0.536 1.00 0.60 H new ATOM 0 HB VAL A 50 1.661 11.780 -2.155 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.657 13.992 -2.596 1.00 0.75 H new ATOM 0 HG12 VAL A 50 0.926 14.109 -2.197 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.151 14.534 -0.978 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.037 12.188 -1.658 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.604 12.644 0.007 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.324 10.981 -0.562 1.00 0.62 H new ATOM 831 N LEU A 51 1.240 10.294 1.248 1.00 0.52 N ATOM 832 CA LEU A 51 1.187 8.887 1.615 1.00 0.50 C ATOM 833 C LEU A 51 -0.076 8.554 2.403 1.00 0.53 C ATOM 834 O LEU A 51 -0.757 7.578 2.099 1.00 0.55 O ATOM 835 CB LEU A 51 2.419 8.502 2.435 1.00 0.48 C ATOM 836 CG LEU A 51 3.766 8.726 1.748 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.898 8.291 2.664 1.00 0.49 C ATOM 838 CD2 LEU A 51 3.833 7.974 0.428 1.00 0.47 C ATOM 0 H LEU A 51 1.670 10.899 1.948 1.00 0.52 H new ATOM 0 HA LEU A 51 1.171 8.312 0.689 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.407 9.071 3.365 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.339 7.449 2.704 1.00 0.48 H new ATOM 0 HG LEU A 51 3.872 9.790 1.537 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.853 8.455 2.165 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.865 8.873 3.585 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.789 7.232 2.900 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.801 8.149 -0.042 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.706 6.907 0.610 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.040 8.326 -0.232 1.00 0.47 H new ATOM 850 N ARG A 52 -0.400 9.370 3.402 1.00 0.59 N ATOM 851 CA ARG A 52 -1.579 9.118 4.235 1.00 0.66 C ATOM 852 C ARG A 52 -2.880 9.204 3.441 1.00 0.65 C ATOM 853 O ARG A 52 -3.882 8.604 3.822 1.00 0.69 O ATOM 854 CB ARG A 52 -1.632 10.062 5.453 1.00 0.79 C ATOM 855 CG ARG A 52 -1.351 11.529 5.150 1.00 0.97 C ATOM 856 CD ARG A 52 -2.557 12.241 4.557 1.00 1.22 C ATOM 857 NE ARG A 52 -3.742 12.148 5.409 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.534 13.181 5.701 1.00 1.90 C ATOM 859 NH1 ARG A 52 -4.237 14.403 5.276 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.624 12.990 6.428 1.00 2.61 N ATOM 0 H ARG A 52 0.129 10.204 3.655 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.479 8.095 4.598 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.619 9.984 5.910 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.910 9.716 6.193 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.049 12.035 6.067 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.513 11.600 4.456 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.311 13.291 4.396 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.782 11.813 3.580 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.977 11.238 5.804 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -3.396 14.559 4.720 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -4.850 15.186 5.505 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -5.856 12.055 6.763 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -6.232 13.778 6.653 1.00 2.61 H new ATOM 874 N GLU A 53 -2.866 9.938 2.336 1.00 0.64 N ATOM 875 CA GLU A 53 -4.063 10.078 1.517 1.00 0.68 C ATOM 876 C GLU A 53 -4.142 8.976 0.471 1.00 0.65 C ATOM 877 O GLU A 53 -5.126 8.873 -0.263 1.00 0.78 O ATOM 878 CB GLU A 53 -4.105 11.452 0.849 1.00 0.72 C ATOM 879 CG GLU A 53 -2.980 11.698 -0.141 1.00 0.67 C ATOM 880 CD GLU A 53 -3.145 13.008 -0.879 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.955 13.848 -0.429 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.472 13.206 -1.913 1.00 1.26 O ATOM 0 H GLU A 53 -2.049 10.440 1.989 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.929 9.986 2.173 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -5.059 11.564 0.333 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.069 12.220 1.621 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -2.027 11.698 0.388 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.946 10.880 -0.860 1.00 0.67 H new ATOM 889 N GLN A 54 -3.100 8.158 0.402 1.00 0.57 N ATOM 890 CA GLN A 54 -3.054 7.054 -0.546 1.00 0.58 C ATOM 891 C GLN A 54 -2.943 5.725 0.193 1.00 0.57 C ATOM 892 O GLN A 54 -2.844 4.662 -0.420 1.00 0.60 O ATOM 893 CB GLN A 54 -1.874 7.220 -1.509 1.00 0.57 C ATOM 894 CG GLN A 54 -2.067 8.320 -2.539 1.00 0.64 C ATOM 895 CD GLN A 54 -3.283 8.100 -3.420 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.206 7.450 -4.463 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.417 8.640 -3.005 1.00 0.96 N ATOM 0 H GLN A 54 -2.273 8.239 0.994 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.978 7.060 -1.124 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.974 7.431 -0.932 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.706 6.276 -2.028 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.165 9.277 -2.027 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.178 8.383 -3.166 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.440 9.172 -2.135 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.268 8.525 -3.555 1.00 0.96 H new ATOM 906 N ALA A 55 -2.966 5.801 1.518 1.00 0.58 N ATOM 907 CA ALA A 55 -2.874 4.619 2.357 1.00 0.60 C ATOM 908 C ALA A 55 -4.150 3.804 2.247 1.00 0.61 C ATOM 909 O ALA A 55 -5.245 4.322 2.462 1.00 0.68 O ATOM 910 CB ALA A 55 -2.620 5.015 3.802 1.00 0.65 C ATOM 0 H ALA A 55 -3.048 6.677 2.035 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.038 4.009 2.016 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.554 4.119 4.419 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.685 5.571 3.868 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.439 5.640 4.157 1.00 0.65 H new ATOM 916 N GLY A 56 -4.001 2.532 1.910 1.00 0.59 N ATOM 917 CA GLY A 56 -5.152 1.666 1.756 1.00 0.64 C ATOM 918 C GLY A 56 -5.686 1.688 0.339 1.00 0.62 C ATOM 919 O GLY A 56 -6.826 1.297 0.090 1.00 0.66 O ATOM 0 H GLY A 56 -3.101 2.083 1.740 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.878 0.646 2.026 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.937 1.978 2.445 1.00 0.64 H new ATOM 923 N GLY A 57 -4.866 2.160 -0.588 1.00 0.63 N ATOM 924 CA GLY A 57 -5.270 2.222 -1.975 1.00 0.65 C ATOM 925 C GLY A 57 -4.095 2.045 -2.910 1.00 0.59 C ATOM 926 O GLY A 57 -2.939 2.097 -2.480 1.00 0.55 O ATOM 0 H GLY A 57 -3.923 2.503 -0.402 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.012 1.448 -2.173 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.750 3.181 -2.171 1.00 0.65 H new ATOM 930 N ASP A 58 -4.386 1.837 -4.186 1.00 0.65 N ATOM 931 CA ASP A 58 -3.354 1.654 -5.195 1.00 0.62 C ATOM 932 C ASP A 58 -2.884 3.019 -5.691 1.00 0.61 C ATOM 933 O ASP A 58 -3.597 3.703 -6.429 1.00 0.71 O ATOM 934 CB ASP A 58 -3.901 0.813 -6.354 1.00 0.69 C ATOM 935 CG ASP A 58 -2.824 0.337 -7.312 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.083 -0.610 -6.974 1.00 1.32 O ATOM 937 OD2 ASP A 58 -2.726 0.895 -8.429 1.00 1.51 O ATOM 0 H ASP A 58 -5.338 1.791 -4.549 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.505 1.126 -4.761 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.426 -0.052 -5.949 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.634 1.401 -6.906 1.00 0.69 H new ATOM 942 N ALA A 59 -1.688 3.411 -5.272 1.00 0.55 N ATOM 943 CA ALA A 59 -1.122 4.706 -5.636 1.00 0.57 C ATOM 944 C ALA A 59 -0.148 4.591 -6.803 1.00 0.54 C ATOM 945 O ALA A 59 0.702 5.461 -7.006 1.00 0.54 O ATOM 946 CB ALA A 59 -0.433 5.329 -4.429 1.00 0.60 C ATOM 0 H ALA A 59 -1.085 2.846 -4.674 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.940 5.350 -5.957 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.013 6.295 -4.708 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.158 5.467 -3.627 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.366 4.671 -4.087 1.00 0.60 H new ATOM 952 N THR A 60 -0.280 3.521 -7.575 1.00 0.56 N ATOM 953 CA THR A 60 0.581 3.300 -8.727 1.00 0.57 C ATOM 954 C THR A 60 0.537 4.482 -9.688 1.00 0.57 C ATOM 955 O THR A 60 1.552 4.845 -10.278 1.00 0.58 O ATOM 956 CB THR A 60 0.177 2.020 -9.470 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.082 0.987 -8.516 1.00 0.67 O ATOM 958 CG2 THR A 60 1.275 1.569 -10.420 1.00 0.71 C ATOM 0 H THR A 60 -0.977 2.792 -7.423 1.00 0.56 H new ATOM 0 HA THR A 60 1.600 3.193 -8.355 1.00 0.57 H new ATOM 0 HB THR A 60 -0.719 2.226 -10.056 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.966 0.599 -8.686 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.961 0.660 -10.933 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.466 2.352 -11.154 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.186 1.371 -9.855 1.00 0.71 H new ATOM 966 N GLU A 61 -0.643 5.087 -9.811 1.00 0.62 N ATOM 967 CA GLU A 61 -0.852 6.239 -10.682 1.00 0.67 C ATOM 968 C GLU A 61 0.195 7.324 -10.432 1.00 0.63 C ATOM 969 O GLU A 61 0.808 7.828 -11.367 1.00 0.74 O ATOM 970 CB GLU A 61 -2.260 6.803 -10.459 1.00 0.78 C ATOM 971 CG GLU A 61 -2.626 6.961 -8.988 1.00 0.83 C ATOM 972 CD GLU A 61 -4.012 7.529 -8.784 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.155 8.771 -8.794 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.965 6.735 -8.609 1.00 1.48 O ATOM 0 H GLU A 61 -1.480 4.791 -9.309 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.749 5.910 -11.716 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.336 7.773 -10.950 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.986 6.146 -10.937 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.561 5.990 -8.496 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.897 7.612 -8.505 1.00 0.83 H new ATOM 981 N ASN A 62 0.419 7.652 -9.164 1.00 0.56 N ATOM 982 CA ASN A 62 1.385 8.684 -8.799 1.00 0.55 C ATOM 983 C ASN A 62 2.807 8.145 -8.898 1.00 0.50 C ATOM 984 O ASN A 62 3.737 8.856 -9.284 1.00 0.50 O ATOM 985 CB ASN A 62 1.118 9.186 -7.378 1.00 0.58 C ATOM 986 CG ASN A 62 1.504 10.640 -7.190 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.660 10.962 -6.919 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.534 11.527 -7.318 1.00 1.32 N ATOM 0 H ASN A 62 -0.055 7.219 -8.371 1.00 0.56 H new ATOM 0 HA ASN A 62 1.275 9.515 -9.495 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.060 9.062 -7.146 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.674 8.572 -6.669 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.731 12.520 -7.191 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.412 11.219 -7.544 1.00 1.32 H new ATOM 995 N PHE A 63 2.952 6.869 -8.570 1.00 0.48 N ATOM 996 CA PHE A 63 4.243 6.196 -8.603 1.00 0.46 C ATOM 997 C PHE A 63 4.839 6.231 -10.011 1.00 0.49 C ATOM 998 O PHE A 63 6.033 6.485 -10.186 1.00 0.50 O ATOM 999 CB PHE A 63 4.075 4.746 -8.136 1.00 0.48 C ATOM 1000 CG PHE A 63 5.343 4.101 -7.646 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.732 4.232 -6.320 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.140 3.356 -8.502 1.00 0.70 C ATOM 1003 CE1 PHE A 63 6.890 3.634 -5.862 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.299 2.755 -8.047 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.674 2.893 -6.726 1.00 0.73 C ATOM 0 H PHE A 63 2.180 6.272 -8.274 1.00 0.48 H new ATOM 0 HA PHE A 63 4.928 6.717 -7.933 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.335 4.718 -7.336 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.676 4.155 -8.961 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.123 4.808 -5.639 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.852 3.244 -9.537 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.183 3.746 -4.828 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.910 2.178 -8.725 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.578 2.423 -6.368 1.00 0.73 H new ATOM 1015 N GLU A 64 3.996 5.987 -11.010 1.00 0.53 N ATOM 1016 CA GLU A 64 4.435 5.986 -12.401 1.00 0.58 C ATOM 1017 C GLU A 64 4.385 7.392 -12.999 1.00 0.57 C ATOM 1018 O GLU A 64 5.067 7.676 -13.982 1.00 0.65 O ATOM 1019 CB GLU A 64 3.578 5.032 -13.239 1.00 0.69 C ATOM 1020 CG GLU A 64 2.097 5.363 -13.208 1.00 1.08 C ATOM 1021 CD GLU A 64 1.327 4.696 -14.320 1.00 1.47 C ATOM 1022 OE1 GLU A 64 1.437 5.153 -15.476 1.00 1.89 O ATOM 1023 OE2 GLU A 64 0.602 3.717 -14.048 1.00 1.88 O ATOM 0 H GLU A 64 3.004 5.787 -10.882 1.00 0.53 H new ATOM 0 HA GLU A 64 5.469 5.641 -12.419 1.00 0.58 H new ATOM 0 HB2 GLU A 64 3.926 5.056 -14.272 1.00 0.69 H new ATOM 0 HB3 GLU A 64 3.722 4.014 -12.877 1.00 0.69 H new ATOM 0 HG2 GLU A 64 1.681 5.056 -12.249 1.00 1.08 H new ATOM 0 HG3 GLU A 64 1.969 6.443 -13.280 1.00 1.08 H new ATOM 1030 N ASP A 65 3.569 8.265 -12.414 1.00 0.54 N ATOM 1031 CA ASP A 65 3.449 9.643 -12.894 1.00 0.55 C ATOM 1032 C ASP A 65 4.746 10.397 -12.644 1.00 0.53 C ATOM 1033 O ASP A 65 5.310 11.014 -13.550 1.00 0.58 O ATOM 1034 CB ASP A 65 2.291 10.361 -12.195 1.00 0.57 C ATOM 1035 CG ASP A 65 2.130 11.800 -12.647 1.00 0.69 C ATOM 1036 OD1 ASP A 65 1.527 12.033 -13.717 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.596 12.709 -11.929 1.00 0.79 O ATOM 0 H ASP A 65 2.982 8.046 -11.609 1.00 0.54 H new ATOM 0 HA ASP A 65 3.247 9.617 -13.965 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.365 9.819 -12.388 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.454 10.340 -11.118 1.00 0.57 H new ATOM 1042 N VAL A 66 5.213 10.341 -11.404 1.00 0.50 N ATOM 1043 CA VAL A 66 6.449 11.007 -11.024 1.00 0.52 C ATOM 1044 C VAL A 66 7.644 10.198 -11.500 1.00 0.50 C ATOM 1045 O VAL A 66 8.630 10.750 -11.996 1.00 0.55 O ATOM 1046 CB VAL A 66 6.544 11.207 -9.494 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.789 12.000 -9.124 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.299 11.898 -8.967 1.00 0.60 C ATOM 0 H VAL A 66 4.753 9.840 -10.644 1.00 0.50 H new ATOM 0 HA VAL A 66 6.451 11.989 -11.497 1.00 0.52 H new ATOM 0 HB VAL A 66 6.618 10.223 -9.030 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.832 12.127 -8.042 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.676 11.464 -9.462 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.753 12.979 -9.603 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.385 12.030 -7.888 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.194 12.872 -9.444 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.423 11.289 -9.189 1.00 0.60 H new ATOM 1058 N GLY A 67 7.544 8.884 -11.356 1.00 0.50 N ATOM 1059 CA GLY A 67 8.620 8.009 -11.763 1.00 0.54 C ATOM 1060 C GLY A 67 9.621 7.793 -10.648 1.00 0.54 C ATOM 1061 O GLY A 67 10.147 8.753 -10.083 1.00 0.82 O ATOM 0 H GLY A 67 6.732 8.408 -10.962 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.209 7.048 -12.074 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.127 8.435 -12.629 1.00 0.54 H new ATOM 1065 N HIS A 68 9.881 6.542 -10.312 1.00 0.45 N ATOM 1066 CA HIS A 68 10.823 6.232 -9.250 1.00 0.42 C ATOM 1067 C HIS A 68 12.079 5.600 -9.824 1.00 0.47 C ATOM 1068 O HIS A 68 12.021 4.863 -10.807 1.00 0.58 O ATOM 1069 CB HIS A 68 10.180 5.306 -8.215 1.00 0.39 C ATOM 1070 CG HIS A 68 9.319 6.024 -7.221 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.112 6.609 -7.536 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.509 6.248 -5.895 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.618 7.160 -6.420 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.426 6.969 -5.396 1.00 0.40 N ATOM 0 H HIS A 68 9.456 5.728 -10.756 1.00 0.45 H new ATOM 0 HA HIS A 68 11.101 7.161 -8.752 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.578 4.559 -8.732 1.00 0.39 H new ATOM 0 HB3 HIS A 68 10.965 4.769 -7.682 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.673 6.620 -8.456 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.362 5.920 -5.320 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.680 7.692 -6.366 1.00 0.35 H new ATOM 1082 N SER A 69 13.212 5.918 -9.222 1.00 0.45 N ATOM 1083 CA SER A 69 14.491 5.393 -9.662 1.00 0.50 C ATOM 1084 C SER A 69 14.596 3.891 -9.399 1.00 0.50 C ATOM 1085 O SER A 69 13.861 3.340 -8.571 1.00 0.46 O ATOM 1086 CB SER A 69 15.612 6.151 -8.956 1.00 0.55 C ATOM 1087 OG SER A 69 15.363 7.548 -9.003 1.00 1.01 O ATOM 0 H SER A 69 13.271 6.544 -8.419 1.00 0.45 H new ATOM 0 HA SER A 69 14.581 5.536 -10.739 1.00 0.50 H new ATOM 0 HB2 SER A 69 15.687 5.822 -7.920 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.567 5.928 -9.431 1.00 0.55 H new ATOM 0 HG SER A 69 15.441 7.925 -8.102 1.00 1.01 H new ATOM 1093 N THR A 70 15.508 3.243 -10.109 1.00 0.59 N ATOM 1094 CA THR A 70 15.728 1.810 -9.979 1.00 0.64 C ATOM 1095 C THR A 70 16.031 1.419 -8.532 1.00 0.61 C ATOM 1096 O THR A 70 15.443 0.486 -7.994 1.00 0.66 O ATOM 1097 CB THR A 70 16.886 1.363 -10.887 1.00 0.78 C ATOM 1098 OG1 THR A 70 16.796 2.049 -12.145 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.855 -0.142 -11.117 1.00 1.08 C ATOM 0 H THR A 70 16.116 3.696 -10.791 1.00 0.59 H new ATOM 0 HA THR A 70 14.810 1.307 -10.285 1.00 0.64 H new ATOM 0 HB THR A 70 17.827 1.610 -10.395 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.534 1.767 -12.725 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.685 -0.429 -11.762 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.944 -0.658 -10.161 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.914 -0.418 -11.592 1.00 1.08 H new ATOM 1107 N ASP A 71 16.931 2.158 -7.904 1.00 0.60 N ATOM 1108 CA ASP A 71 17.311 1.895 -6.519 1.00 0.61 C ATOM 1109 C ASP A 71 16.109 2.030 -5.585 1.00 0.54 C ATOM 1110 O ASP A 71 15.978 1.290 -4.609 1.00 0.56 O ATOM 1111 CB ASP A 71 18.420 2.857 -6.099 1.00 0.70 C ATOM 1112 CG ASP A 71 19.126 2.415 -4.836 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.325 1.194 -4.656 1.00 1.38 O ATOM 1114 OD2 ASP A 71 19.513 3.289 -4.028 1.00 1.29 O ATOM 0 H ASP A 71 17.415 2.948 -8.330 1.00 0.60 H new ATOM 0 HA ASP A 71 17.676 0.871 -6.448 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.147 2.942 -6.907 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.996 3.849 -5.946 1.00 0.70 H new ATOM 1119 N ALA A 72 15.216 2.956 -5.912 1.00 0.48 N ATOM 1120 CA ALA A 72 14.026 3.194 -5.107 1.00 0.44 C ATOM 1121 C ALA A 72 13.083 1.994 -5.141 1.00 0.42 C ATOM 1122 O ALA A 72 12.625 1.526 -4.096 1.00 0.43 O ATOM 1123 CB ALA A 72 13.312 4.452 -5.580 1.00 0.47 C ATOM 0 H ALA A 72 15.295 3.556 -6.733 1.00 0.48 H new ATOM 0 HA ALA A 72 14.341 3.337 -4.073 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.424 4.618 -4.970 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.981 5.307 -5.487 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.018 4.333 -6.623 1.00 0.47 H new ATOM 1129 N ARG A 73 12.804 1.482 -6.335 1.00 0.44 N ATOM 1130 CA ARG A 73 11.914 0.334 -6.467 1.00 0.48 C ATOM 1131 C ARG A 73 12.553 -0.918 -5.864 1.00 0.49 C ATOM 1132 O ARG A 73 11.856 -1.796 -5.360 1.00 0.56 O ATOM 1133 CB ARG A 73 11.508 0.096 -7.928 1.00 0.54 C ATOM 1134 CG ARG A 73 12.664 0.049 -8.914 1.00 0.68 C ATOM 1135 CD ARG A 73 12.966 -1.376 -9.355 1.00 0.74 C ATOM 1136 NE ARG A 73 11.850 -1.978 -10.087 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.750 -3.281 -10.348 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.705 -4.120 -9.953 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.695 -3.748 -11.008 1.00 1.36 N ATOM 0 H ARG A 73 13.176 1.838 -7.215 1.00 0.44 H new ATOM 0 HA ARG A 73 11.004 0.556 -5.910 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.959 -0.844 -7.989 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.822 0.886 -8.232 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.424 0.657 -9.786 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.552 0.485 -8.456 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.855 -1.378 -9.986 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.194 -1.984 -8.480 1.00 0.74 H new ATOM 0 HE ARG A 73 11.105 -1.364 -10.417 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.518 -3.766 -9.448 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.624 -5.116 -10.155 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.962 -3.109 -11.315 1.00 1.36 H new ATOM 0 HH22 ARG A 73 10.619 -4.745 -11.208 1.00 1.36 H new ATOM 1153 N GLU A 74 13.882 -0.981 -5.897 1.00 0.47 N ATOM 1154 CA GLU A 74 14.604 -2.110 -5.322 1.00 0.51 C ATOM 1155 C GLU A 74 14.456 -2.098 -3.805 1.00 0.49 C ATOM 1156 O GLU A 74 14.201 -3.130 -3.184 1.00 0.55 O ATOM 1157 CB GLU A 74 16.087 -2.056 -5.697 1.00 0.57 C ATOM 1158 CG GLU A 74 16.358 -2.331 -7.167 1.00 0.65 C ATOM 1159 CD GLU A 74 15.851 -3.688 -7.609 1.00 0.75 C ATOM 1160 OE1 GLU A 74 16.442 -4.713 -7.200 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.860 -3.743 -8.370 1.00 0.84 O ATOM 0 H GLU A 74 14.478 -0.266 -6.314 1.00 0.47 H new ATOM 0 HA GLU A 74 14.180 -3.031 -5.723 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.481 -1.072 -5.442 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.631 -2.783 -5.094 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.885 -1.556 -7.771 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.430 -2.270 -7.353 1.00 0.65 H new ATOM 1168 N LEU A 75 14.596 -0.911 -3.220 1.00 0.47 N ATOM 1169 CA LEU A 75 14.469 -0.739 -1.776 1.00 0.48 C ATOM 1170 C LEU A 75 13.049 -1.061 -1.319 1.00 0.43 C ATOM 1171 O LEU A 75 12.829 -1.479 -0.185 1.00 0.44 O ATOM 1172 CB LEU A 75 14.825 0.698 -1.375 1.00 0.53 C ATOM 1173 CG LEU A 75 14.806 0.984 0.129 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.036 0.390 0.797 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.723 2.484 0.382 1.00 0.61 C ATOM 0 H LEU A 75 14.799 -0.050 -3.728 1.00 0.47 H new ATOM 0 HA LEU A 75 15.161 -1.427 -1.291 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.819 0.929 -1.759 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.128 1.377 -1.866 1.00 0.53 H new ATOM 0 HG LEU A 75 13.923 0.515 0.563 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.008 0.602 1.866 1.00 0.65 H new ATOM 0 HD12 LEU A 75 16.049 -0.689 0.641 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.934 0.830 0.364 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.710 2.672 1.456 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.588 2.976 -0.062 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.811 2.879 -0.066 1.00 0.61 H new ATOM 1187 N SER A 76 12.090 -0.883 -2.221 1.00 0.45 N ATOM 1188 CA SER A 76 10.687 -1.138 -1.918 1.00 0.46 C ATOM 1189 C SER A 76 10.412 -2.632 -1.707 1.00 0.43 C ATOM 1190 O SER A 76 9.381 -3.010 -1.150 1.00 0.45 O ATOM 1191 CB SER A 76 9.804 -0.601 -3.045 1.00 0.55 C ATOM 1192 OG SER A 76 10.057 0.775 -3.278 1.00 0.82 O ATOM 0 H SER A 76 12.261 -0.561 -3.174 1.00 0.45 H new ATOM 0 HA SER A 76 10.450 -0.622 -0.988 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.988 -1.168 -3.958 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.754 -0.743 -2.788 1.00 0.55 H new ATOM 0 HG SER A 76 10.975 0.889 -3.601 1.00 0.82 H new ATOM 1198 N LYS A 77 11.351 -3.477 -2.121 1.00 0.45 N ATOM 1199 CA LYS A 77 11.193 -4.921 -1.987 1.00 0.51 C ATOM 1200 C LYS A 77 11.374 -5.378 -0.538 1.00 0.47 C ATOM 1201 O LYS A 77 11.232 -6.561 -0.229 1.00 0.56 O ATOM 1202 CB LYS A 77 12.171 -5.661 -2.904 1.00 0.63 C ATOM 1203 CG LYS A 77 11.633 -6.990 -3.410 1.00 0.94 C ATOM 1204 CD LYS A 77 12.486 -7.538 -4.538 1.00 1.20 C ATOM 1205 CE LYS A 77 11.807 -8.701 -5.242 1.00 1.60 C ATOM 1206 NZ LYS A 77 12.536 -9.102 -6.473 1.00 1.89 N ATOM 0 H LYS A 77 12.229 -3.187 -2.552 1.00 0.45 H new ATOM 0 HA LYS A 77 10.175 -5.166 -2.289 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.410 -5.026 -3.757 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.102 -5.835 -2.365 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.605 -7.709 -2.591 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.608 -6.861 -3.757 1.00 0.94 H new ATOM 0 HD2 LYS A 77 12.690 -6.746 -5.258 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.448 -7.864 -4.142 1.00 1.20 H new ATOM 0 HE2 LYS A 77 11.745 -9.551 -4.563 1.00 1.60 H new ATOM 0 HE3 LYS A 77 10.785 -8.424 -5.499 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 12.042 -9.898 -6.925 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 12.573 -8.298 -7.132 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 13.504 -9.391 -6.225 1.00 1.89 H new ATOM 1220 N THR A 78 11.697 -4.450 0.349 1.00 0.42 N ATOM 1221 CA THR A 78 11.857 -4.786 1.752 1.00 0.48 C ATOM 1222 C THR A 78 10.603 -4.387 2.529 1.00 0.43 C ATOM 1223 O THR A 78 10.518 -4.572 3.745 1.00 0.53 O ATOM 1224 CB THR A 78 13.117 -4.119 2.366 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.549 -4.848 3.524 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.858 -2.667 2.747 1.00 0.63 C ATOM 0 H THR A 78 11.852 -3.467 0.124 1.00 0.42 H new ATOM 0 HA THR A 78 11.996 -5.865 1.825 1.00 0.48 H new ATOM 0 HB THR A 78 13.899 -4.137 1.606 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.773 -5.066 4.082 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.764 -2.236 3.173 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.571 -2.104 1.859 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.054 -2.621 3.482 1.00 0.63 H new ATOM 1234 N PHE A 79 9.617 -3.857 1.809 1.00 0.36 N ATOM 1235 CA PHE A 79 8.366 -3.437 2.425 1.00 0.38 C ATOM 1236 C PHE A 79 7.212 -4.330 1.973 1.00 0.32 C ATOM 1237 O PHE A 79 6.102 -4.232 2.490 1.00 0.33 O ATOM 1238 CB PHE A 79 8.051 -1.981 2.069 1.00 0.46 C ATOM 1239 CG PHE A 79 9.142 -1.011 2.408 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.677 -0.958 3.683 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.628 -0.145 1.445 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.678 -0.059 3.991 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.627 0.758 1.744 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.155 0.802 3.020 1.00 0.70 C ATOM 0 H PHE A 79 9.662 -3.709 0.801 1.00 0.36 H new ATOM 0 HA PHE A 79 8.482 -3.525 3.505 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.844 -1.918 1.001 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.141 -1.681 2.588 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.307 -1.627 4.446 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.220 -0.176 0.446 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.088 -0.028 4.990 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.996 1.429 0.982 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.938 1.507 3.258 1.00 0.70 H new ATOM 1254 N ILE A 80 7.480 -5.199 1.007 1.00 0.38 N ATOM 1255 CA ILE A 80 6.456 -6.094 0.478 1.00 0.36 C ATOM 1256 C ILE A 80 6.102 -7.190 1.487 1.00 0.33 C ATOM 1257 O ILE A 80 6.954 -7.982 1.889 1.00 0.42 O ATOM 1258 CB ILE A 80 6.896 -6.731 -0.865 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.826 -7.696 -1.386 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.236 -7.441 -0.729 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.700 -7.007 -2.124 1.00 0.72 C ATOM 0 H ILE A 80 8.397 -5.304 0.573 1.00 0.38 H new ATOM 0 HA ILE A 80 5.568 -5.489 0.295 1.00 0.36 H new ATOM 0 HB ILE A 80 7.016 -5.925 -1.589 1.00 0.46 H new ATOM 0 HG12 ILE A 80 6.295 -8.422 -2.051 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.412 -8.254 -0.546 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.516 -7.877 -1.688 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.997 -6.725 -0.420 1.00 0.58 H new ATOM 0 HG23 ILE A 80 8.155 -8.230 0.018 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.979 -7.751 -2.464 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.205 -6.302 -1.456 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.103 -6.472 -2.984 1.00 0.72 H new ATOM 1273 N ILE A 81 4.846 -7.204 1.921 1.00 0.28 N ATOM 1274 CA ILE A 81 4.381 -8.211 2.872 1.00 0.32 C ATOM 1275 C ILE A 81 3.265 -9.060 2.270 1.00 0.29 C ATOM 1276 O ILE A 81 2.823 -10.044 2.868 1.00 0.31 O ATOM 1277 CB ILE A 81 3.890 -7.592 4.208 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.618 -6.747 4.001 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.995 -6.769 4.859 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.874 -5.319 3.570 1.00 0.77 C ATOM 0 H ILE A 81 4.134 -6.534 1.632 1.00 0.28 H new ATOM 0 HA ILE A 81 5.244 -8.840 3.090 1.00 0.32 H new ATOM 0 HB ILE A 81 3.634 -8.410 4.881 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.993 -7.232 3.251 1.00 0.50 H new ATOM 0 HG13 ILE A 81 2.050 -6.736 4.931 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.630 -6.344 5.794 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.854 -7.409 5.062 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.293 -5.964 4.187 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.923 -4.800 3.448 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.470 -4.811 4.328 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.413 -5.316 2.622 1.00 0.77 H new ATOM 1292 N GLY A 82 2.809 -8.682 1.082 1.00 0.32 N ATOM 1293 CA GLY A 82 1.754 -9.428 0.440 1.00 0.35 C ATOM 1294 C GLY A 82 1.198 -8.737 -0.786 1.00 0.31 C ATOM 1295 O GLY A 82 1.712 -7.707 -1.216 1.00 0.34 O ATOM 0 H GLY A 82 3.151 -7.877 0.558 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.133 -10.410 0.156 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.947 -9.592 1.154 1.00 0.35 H new ATOM 1299 N GLU A 83 0.135 -9.301 -1.338 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.503 -8.757 -2.528 1.00 0.31 C ATOM 1301 C GLU A 83 -2.015 -8.747 -2.359 1.00 0.32 C ATOM 1302 O GLU A 83 -2.537 -9.244 -1.357 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.129 -9.584 -3.758 1.00 0.37 C ATOM 1304 CG GLU A 83 1.328 -9.459 -4.163 1.00 0.61 C ATOM 1305 CD GLU A 83 1.619 -10.129 -5.491 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.659 -10.555 -6.172 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.809 -10.233 -5.862 1.00 0.86 O ATOM 0 H GLU A 83 -0.309 -10.145 -0.976 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.153 -7.734 -2.668 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.352 -10.632 -3.560 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.756 -9.277 -4.595 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.596 -8.404 -4.225 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.956 -9.902 -3.390 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.713 -8.182 -3.332 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.167 -8.119 -3.295 1.00 0.44 C ATOM 1316 C LEU A 84 -4.766 -9.380 -3.897 1.00 0.40 C ATOM 1317 O LEU A 84 -4.115 -10.074 -4.689 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.676 -6.890 -4.057 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.150 -5.723 -3.186 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.290 -6.155 -2.277 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.998 -5.167 -2.366 1.00 0.87 C ATOM 0 H LEU A 84 -2.295 -7.759 -4.160 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.476 -8.038 -2.253 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.879 -6.533 -4.709 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.500 -7.199 -4.700 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.518 -4.936 -3.844 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.610 -5.310 -1.668 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.127 -6.503 -2.883 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.952 -6.963 -1.628 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.354 -4.339 -1.753 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.599 -5.950 -1.721 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.213 -4.813 -3.034 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.004 -9.672 -3.517 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.712 -10.844 -4.019 1.00 0.48 C ATOM 1335 C HIS A 85 -6.871 -10.757 -5.533 1.00 0.42 C ATOM 1336 O HIS A 85 -7.072 -9.672 -6.070 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.092 -10.964 -3.356 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.105 -11.840 -2.145 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.148 -12.689 -1.839 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.196 -11.995 -1.157 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.877 -13.325 -0.717 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.696 -12.925 -0.284 1.00 1.10 N ATOM 0 H HIS A 85 -6.542 -9.109 -2.858 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.126 -11.730 -3.773 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.438 -9.969 -3.077 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.802 -11.356 -4.084 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.250 -11.481 -1.071 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.514 -14.051 -0.233 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -7.232 -13.254 0.562 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.783 -11.896 -6.242 1.00 0.45 N ATOM 1352 CA PRO A 86 -6.920 -11.932 -7.705 1.00 0.44 C ATOM 1353 C PRO A 86 -8.287 -11.435 -8.173 1.00 0.40 C ATOM 1354 O PRO A 86 -8.416 -10.857 -9.256 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.732 -13.414 -8.057 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.959 -14.157 -6.787 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.532 -13.235 -5.681 1.00 0.53 C ATOM 0 HA PRO A 86 -6.198 -11.277 -8.194 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.438 -13.727 -8.826 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.732 -13.601 -8.447 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.008 -14.434 -6.680 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.382 -15.081 -6.768 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.108 -13.404 -4.771 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.482 -13.374 -5.424 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.297 -11.642 -7.341 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.655 -11.213 -7.657 1.00 0.43 C ATOM 1367 C ASP A 87 -10.748 -9.693 -7.614 1.00 0.41 C ATOM 1368 O ASP A 87 -11.422 -9.078 -8.437 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.650 -11.835 -6.678 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.683 -13.348 -6.764 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -11.760 -13.884 -7.889 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -11.618 -14.009 -5.703 1.00 1.28 O ATOM 0 H ASP A 87 -9.203 -12.106 -6.438 1.00 0.41 H new ATOM 0 HA ASP A 87 -10.904 -11.550 -8.663 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.389 -11.538 -5.662 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.646 -11.441 -6.879 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.044 -9.095 -6.661 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.017 -7.641 -6.506 1.00 0.50 C ATOM 1379 C ASP A 88 -8.900 -7.067 -7.366 1.00 0.49 C ATOM 1380 O ASP A 88 -8.518 -5.906 -7.233 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.769 -7.259 -5.042 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.847 -7.758 -4.104 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -10.738 -8.910 -3.624 1.00 1.20 O ATOM 1384 OD2 ASP A 88 -11.799 -6.999 -3.829 1.00 1.22 O ATOM 0 H ASP A 88 -9.479 -9.598 -5.977 1.00 0.42 H new ATOM 0 HA ASP A 88 -10.980 -7.237 -6.818 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.807 -7.662 -4.726 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.702 -6.174 -4.963 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.385 -7.901 -8.256 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.290 -7.518 -9.127 1.00 0.51 C ATOM 1391 C ARG A 89 -7.724 -7.451 -10.590 1.00 0.57 C ATOM 1392 O ARG A 89 -7.492 -6.448 -11.263 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.145 -8.520 -8.964 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.847 -8.104 -9.631 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.807 -9.212 -9.547 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.451 -9.541 -8.163 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.230 -9.923 -7.778 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.252 -10.041 -8.667 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -1.988 -10.198 -6.504 1.00 0.81 N ATOM 0 H ARG A 89 -8.714 -8.857 -8.393 1.00 0.44 H new ATOM 0 HA ARG A 89 -6.958 -6.520 -8.841 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -5.960 -8.672 -7.901 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.458 -9.480 -9.374 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.035 -7.856 -10.676 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.462 -7.203 -9.154 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.190 -10.104 -10.043 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.911 -8.907 -10.087 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.179 -9.474 -7.452 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.430 -9.840 -9.651 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.322 -10.333 -8.366 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.735 -10.118 -5.814 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.055 -10.489 -6.214 1.00 0.81 H new ATOM 1413 N SER A 90 -8.362 -8.509 -11.082 1.00 0.50 N ATOM 1414 CA SER A 90 -8.777 -8.549 -12.478 1.00 0.59 C ATOM 1415 C SER A 90 -10.285 -8.762 -12.645 1.00 0.57 C ATOM 1416 O SER A 90 -10.750 -9.098 -13.739 1.00 0.88 O ATOM 1417 CB SER A 90 -8.009 -9.661 -13.195 1.00 0.71 C ATOM 1418 OG SER A 90 -6.730 -9.849 -12.604 1.00 1.16 O ATOM 0 H SER A 90 -8.600 -9.340 -10.541 1.00 0.50 H new ATOM 0 HA SER A 90 -8.548 -7.578 -12.918 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.577 -10.590 -13.149 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.895 -9.409 -14.249 1.00 0.71 H new ATOM 0 HG SER A 90 -6.254 -10.565 -13.075 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.059 -8.563 -11.583 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.506 -8.744 -11.677 1.00 0.49 C ATOM 1426 C LYS A 91 -13.256 -7.577 -11.043 1.00 0.51 C ATOM 1427 O LYS A 91 -14.026 -6.891 -11.717 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.939 -10.061 -11.026 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.175 -11.190 -12.021 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.213 -12.181 -11.513 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.779 -12.838 -10.213 1.00 1.24 C ATOM 1432 NZ LYS A 91 -12.639 -13.772 -10.410 1.00 1.76 N ATOM 0 H LYS A 91 -10.719 -8.282 -10.663 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.759 -8.778 -12.737 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.175 -10.371 -10.313 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.854 -9.892 -10.459 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -13.505 -10.773 -12.973 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -12.236 -11.711 -12.210 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -15.162 -11.667 -11.361 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.383 -12.948 -12.269 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -13.496 -12.068 -9.495 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -14.621 -13.380 -9.783 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -12.377 -14.197 -9.498 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -12.916 -14.522 -11.075 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -11.826 -13.251 -10.796 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.028 -7.372 -9.744 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.674 -6.295 -8.987 1.00 0.55 C ATOM 1448 C LEU A 92 -15.181 -6.528 -8.894 1.00 0.58 C ATOM 1449 O LEU A 92 -15.967 -5.588 -8.795 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.384 -4.922 -9.615 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.053 -4.266 -9.211 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -11.949 -4.140 -7.697 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -10.866 -5.045 -9.765 1.00 0.90 C ATOM 0 H LEU A 92 -12.393 -7.945 -9.188 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.257 -6.302 -7.980 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.399 -5.030 -10.700 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.196 -4.244 -9.351 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.032 -3.265 -9.642 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -10.999 -3.673 -7.435 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -12.770 -3.526 -7.326 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.003 -5.130 -7.245 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -9.939 -4.558 -9.464 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -10.885 -6.063 -9.375 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -10.924 -5.072 -10.853 1.00 0.90 H new ATOM 1465 N SER A 93 -15.571 -7.793 -8.919 1.00 0.52 N ATOM 1466 CA SER A 93 -16.974 -8.166 -8.846 1.00 0.57 C ATOM 1467 C SER A 93 -17.438 -8.261 -7.393 1.00 0.58 C ATOM 1468 O SER A 93 -17.677 -9.355 -6.881 1.00 0.70 O ATOM 1469 CB SER A 93 -17.178 -9.508 -9.547 1.00 0.62 C ATOM 1470 OG SER A 93 -16.266 -9.657 -10.623 1.00 0.70 O ATOM 0 H SER A 93 -14.930 -8.583 -8.990 1.00 0.52 H new ATOM 0 HA SER A 93 -17.567 -7.398 -9.342 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.042 -10.321 -8.834 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.200 -9.578 -9.918 1.00 0.62 H new ATOM 0 HG SER A 93 -16.721 -10.078 -11.382 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.550 -7.117 -6.732 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.982 -7.076 -5.338 1.00 0.60 C ATOM 1478 C LYS A 94 -18.830 -5.836 -5.079 1.00 0.71 C ATOM 1479 O LYS A 94 -18.610 -4.794 -5.691 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.765 -7.098 -4.407 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.163 -8.486 -4.242 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.716 -8.432 -3.782 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.600 -7.958 -2.343 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.196 -8.004 -1.860 1.00 0.93 N ATOM 0 H LYS A 94 -17.348 -6.203 -7.137 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.592 -7.957 -5.135 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.004 -6.423 -4.798 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.057 -6.717 -3.428 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.751 -9.052 -3.520 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.222 -9.021 -5.190 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.267 -9.421 -3.877 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.152 -7.763 -4.432 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.979 -6.939 -2.264 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.225 -8.581 -1.703 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.166 -7.738 -0.855 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.821 -8.967 -1.975 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.617 -7.339 -2.411 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.813 -5.932 -4.167 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.699 -4.813 -3.842 1.00 0.92 C ATOM 1500 C PRO A 95 -20.004 -3.734 -3.009 1.00 0.95 C ATOM 1501 O PRO A 95 -19.386 -4.028 -1.983 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.820 -5.477 -3.038 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.197 -6.680 -2.420 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.133 -7.143 -3.377 1.00 0.84 C ATOM 0 HA PRO A 95 -21.044 -4.293 -4.736 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.212 -4.802 -2.277 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.656 -5.753 -3.681 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.767 -6.439 -1.448 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.939 -7.461 -2.256 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.257 -7.519 -2.849 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.492 -7.952 -4.013 1.00 0.84 H new ATOM 1512 N MET A 96 -20.110 -2.488 -3.454 1.00 1.06 N ATOM 1513 CA MET A 96 -19.497 -1.371 -2.745 1.00 1.14 C ATOM 1514 C MET A 96 -20.380 -0.929 -1.580 1.00 1.16 C ATOM 1515 O MET A 96 -20.044 -1.176 -0.423 1.00 1.25 O ATOM 1516 CB MET A 96 -19.248 -0.203 -3.701 1.00 1.31 C ATOM 1517 CG MET A 96 -18.400 0.907 -3.100 1.00 1.38 C ATOM 1518 SD MET A 96 -17.847 2.104 -4.330 1.00 1.63 S ATOM 1519 CE MET A 96 -19.417 2.746 -4.917 1.00 1.94 C ATOM 0 H MET A 96 -20.614 -2.225 -4.301 1.00 1.06 H new ATOM 0 HA MET A 96 -18.538 -1.700 -2.345 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.757 -0.578 -4.599 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.207 0.212 -4.012 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.975 1.422 -2.331 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.531 0.469 -2.609 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.242 3.627 -5.535 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.924 1.983 -5.508 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.040 3.018 -4.065 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.510 -0.288 -1.905 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.475 0.186 -0.906 1.00 1.22 C ATOM 1531 C GLU A 97 -21.881 1.261 0.007 1.00 1.29 C ATOM 1532 O GLU A 97 -21.091 0.970 0.903 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.003 -0.983 -0.066 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.156 -0.609 0.851 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.611 -1.774 1.703 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.142 -2.754 1.139 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -24.434 -1.720 2.942 1.00 2.38 O ATOM 0 H GLU A 97 -21.780 -0.084 -2.867 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.302 0.638 -1.453 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.327 -1.781 -0.734 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.187 -1.383 0.536 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.851 0.214 1.497 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -24.993 -0.251 0.252 1.00 1.50 H new ATOM 1544 N THR A 98 -22.275 2.506 -0.223 1.00 1.31 N ATOM 1545 CA THR A 98 -21.795 3.615 0.583 1.00 1.40 C ATOM 1546 C THR A 98 -22.622 4.873 0.308 1.00 1.39 C ATOM 1547 O THR A 98 -23.605 4.820 -0.436 1.00 1.35 O ATOM 1548 CB THR A 98 -20.294 3.890 0.321 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.773 4.788 1.308 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.072 4.470 -1.070 1.00 1.37 C ATOM 0 H THR A 98 -22.926 2.771 -0.962 1.00 1.31 H new ATOM 0 HA THR A 98 -21.909 3.341 1.632 1.00 1.40 H new ATOM 0 HB THR A 98 -19.767 2.938 0.384 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.823 4.952 1.132 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.008 4.652 -1.223 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.431 3.765 -1.820 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.618 5.409 -1.164 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.228 5.988 0.929 1.00 1.46 N ATOM 1559 CA LEU A 99 -22.907 7.276 0.761 1.00 1.48 C ATOM 1560 C LEU A 99 -24.366 7.219 1.220 1.00 1.52 C ATOM 1561 O LEU A 99 -25.242 7.863 0.635 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.825 7.743 -0.699 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.434 8.174 -1.169 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.416 8.348 -2.677 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.016 9.462 -0.477 1.00 1.61 C ATOM 0 H LEU A 99 -21.429 6.023 1.562 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.392 7.998 1.394 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.174 6.935 -1.342 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.512 8.578 -0.835 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.720 7.394 -0.904 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.420 8.655 -2.996 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.675 7.404 -3.155 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.140 9.111 -2.964 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.025 9.755 -0.822 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.730 10.251 -0.714 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -20.993 9.305 0.601 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.624 6.465 2.278 1.00 1.60 N ATOM 1578 CA ILE A 100 -25.973 6.335 2.807 1.00 1.68 C ATOM 1579 C ILE A 100 -26.162 7.224 4.034 1.00 1.72 C ATOM 1580 O ILE A 100 -27.174 7.909 4.171 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.287 4.869 3.175 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.183 3.982 1.932 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.671 4.758 3.800 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.194 2.500 2.238 1.00 1.79 C ATOM 0 H ILE A 100 -23.917 5.934 2.787 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.663 6.655 2.027 1.00 1.68 H new ATOM 0 HB ILE A 100 -25.556 4.528 3.909 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -27.012 4.212 1.263 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.265 4.227 1.398 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.874 3.717 4.052 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.712 5.365 4.704 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -28.420 5.112 3.091 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -26.117 1.936 1.308 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -25.349 2.255 2.882 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -27.124 2.240 2.744 1.00 1.79 H new ATOM 1596 N THR A 101 -25.176 7.218 4.916 1.00 1.73 N ATOM 1597 CA THR A 101 -25.231 8.015 6.131 1.00 1.77 C ATOM 1598 C THR A 101 -24.989 9.494 5.837 1.00 1.85 C ATOM 1599 O THR A 101 -24.036 9.853 5.142 1.00 1.80 O ATOM 1600 CB THR A 101 -24.189 7.522 7.150 1.00 1.70 C ATOM 1601 OG1 THR A 101 -23.730 6.211 6.781 1.00 1.85 O ATOM 1602 CG2 THR A 101 -24.773 7.481 8.553 1.00 1.98 C ATOM 0 H THR A 101 -24.324 6.667 4.813 1.00 1.73 H new ATOM 0 HA THR A 101 -26.231 7.901 6.550 1.00 1.77 H new ATOM 0 HB THR A 101 -23.352 8.220 7.146 1.00 1.70 H new ATOM 0 HG1 THR A 101 -23.065 5.902 7.432 1.00 1.85 H new ATOM 0 HG21 THR A 101 -24.015 7.129 9.253 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.097 8.481 8.842 1.00 1.98 H new ATOM 0 HG23 THR A 101 -25.627 6.804 8.572 1.00 1.98 H new ATOM 1610 N THR A 102 -25.860 10.345 6.359 1.00 2.05 N ATOM 1611 CA THR A 102 -25.737 11.779 6.167 1.00 2.18 C ATOM 1612 C THR A 102 -24.660 12.347 7.087 1.00 2.11 C ATOM 1613 O THR A 102 -24.841 12.419 8.304 1.00 2.23 O ATOM 1614 CB THR A 102 -27.076 12.483 6.447 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.154 11.689 5.927 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.113 13.869 5.818 1.00 2.72 C ATOM 0 H THR A 102 -26.663 10.063 6.921 1.00 2.05 H new ATOM 0 HA THR A 102 -25.455 11.958 5.129 1.00 2.18 H new ATOM 0 HB THR A 102 -27.184 12.596 7.526 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.007 12.137 6.107 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.072 14.341 6.033 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.308 14.477 6.231 1.00 2.72 H new ATOM 0 HG23 THR A 102 -26.986 13.782 4.739 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.536 12.732 6.502 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.423 13.280 7.269 1.00 2.08 C ATOM 1626 C VAL A 103 -22.290 14.781 7.055 1.00 2.14 C ATOM 1627 O VAL A 103 -21.268 15.381 7.391 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.090 12.598 6.894 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.119 11.122 7.260 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -20.791 12.780 5.410 1.00 1.94 C ATOM 0 H VAL A 103 -23.368 12.676 5.497 1.00 2.05 H new ATOM 0 HA VAL A 103 -22.640 13.085 8.319 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.292 13.074 7.463 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.170 10.661 6.987 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.279 11.016 8.333 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -21.929 10.630 6.722 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -19.847 12.292 5.166 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -21.592 12.335 4.820 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -20.719 13.843 5.181 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.326 15.386 6.502 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.319 16.816 6.233 1.00 2.30 C ATOM 1642 C ASP A 104 -24.623 17.432 6.703 1.00 2.65 C ATOM 1643 O ASP A 104 -24.705 18.673 6.783 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.115 17.096 4.739 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.306 16.690 3.892 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.216 17.525 3.690 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -24.333 15.538 3.414 1.00 2.54 O ATOM 0 H ASP A 104 -24.186 14.909 6.229 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.488 17.264 6.778 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -22.921 18.159 4.597 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.230 16.562 4.392 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 10.813 10.007 -4.285 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.547 5.675 -2.261 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.777 5.803 -2.614 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.026 10.199 -4.473 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.161 8.800 -3.726 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.523 8.361 -3.511 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.440 7.148 -2.914 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.036 6.845 -2.786 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.577 6.296 -2.463 1.00 0.63 C HETATM 1662 CAA HEM A 400 13.778 9.063 -3.937 1.00 0.61 C HETATM 1663 CBA HEM A 400 14.514 8.307 -5.054 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.616 9.185 -5.652 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.125 10.077 -4.940 1.00 1.48 O HETATM 1666 O2A HEM A 400 15.977 8.959 -6.825 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.220 5.342 -2.167 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.736 4.091 -1.641 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.389 4.122 -1.753 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.057 5.391 -2.344 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.558 2.984 -1.077 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.508 3.124 -1.383 1.00 0.55 C HETATM 1673 CBB HEM A 400 5.143 3.358 -0.728 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.434 7.006 -3.163 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.077 7.420 -3.411 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.144 8.670 -3.916 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.543 9.011 -3.983 1.00 0.36 C HETATM 1678 CMC HEM A 400 2.843 6.613 -3.186 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.080 9.468 -4.284 1.00 0.45 C HETATM 1680 CBC HEM A 400 1.759 9.572 -3.518 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.354 10.536 -4.570 1.00 0.39 C HETATM 1682 C2D HEM A 400 7.835 11.782 -5.114 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.185 11.724 -5.068 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.525 10.441 -4.499 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.004 12.920 -5.614 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.136 12.788 -5.495 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.632 12.600 -6.930 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.850 13.487 -7.160 1.00 1.09 C HETATM 1689 O1D HEM A 400 12.235 14.220 -6.225 1.00 1.52 O HETATM 1690 O2D HEM A 400 12.409 13.451 -8.274 1.00 1.79 O HETATM 1691 NA HEM A 400 10.250 7.861 -3.284 1.00 0.42 N HETATM 1692 NB HEM A 400 8.184 6.144 -2.591 1.00 0.40 N HETATM 1693 NC HEM A 400 6.334 7.986 -3.516 1.00 0.35 N HETATM 1694 ND HEM A 400 8.395 9.716 -4.188 1.00 0.37 N HETATM 1695 FE HEM A 400 8.289 7.939 -3.370 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.271 5.710 -1.597 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.422 6.930 -2.192 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.871 5.625 -3.270 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.535 2.974 -1.560 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 9.056 2.032 -1.253 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.685 3.135 -0.005 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.071 5.555 -3.319 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.077 6.912 -3.902 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.478 6.781 -2.173 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.063 12.537 -6.010 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 7.543 13.445 -6.403 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 6.800 13.609 -4.794 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.510 2.509 -0.468 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.804 4.373 -0.522 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 0.969 10.229 -3.881 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.608 8.989 -2.610 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 13.808 8.017 -5.832 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 14.946 7.389 -4.657 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.440 9.174 -3.078 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.532 10.067 -4.281 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 9.842 12.856 -7.637 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 10.890 11.555 -7.104 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 10.991 12.798 -4.819 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 9.650 13.760 -5.408 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.615 10.667 -4.580 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.266 4.958 -1.892 1.00 0.49 H new HETATM 0 HHC HEM A 400 4.975 5.121 -2.373 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.303 10.928 -4.809 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.807 2.093 -1.571 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.188 10.069 -5.187 1.00 0.45 H new