USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 91 MET CE :methyl 175:sc= 0 (180deg=-0.0462) USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.199 K(o=0.72,f=-4.2!) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.517 K(o=0.72,f=-4.2) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -0.676 K(o=-1.4,f=-2.1) USER MOD Set 3.2: A 55 THR OG1 : rot -37:sc= -0.707 USER MOD Single : A 1 ASP N :NH3+ -168:sc= 0.012 (180deg=-0.088) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 8 THR OG1 : rot -119:sc= 0.823 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3 K(o=-3,f=-2.4) USER MOD Single : A 16 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.42) USER MOD Single : A 17 HIS : no HD1:sc= -0.755 K(o=-0.75,f=-0.13) USER MOD Single : A 18 SER OG : rot 42:sc= 0.0554 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 45:sc= 0.837 USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.855 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 33 THR OG1 : rot 92:sc= 0.448 USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 0.565 (180deg=0.319) USER MOD Single : A 64 SER OG : rot 180:sc= -0.22 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 96:sc= 0.464 USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 1.04 (180deg=0.0682) USER MOD Single : A 73 THR OG1 : rot -46:sc= 0.154 USER MOD Single : A 80 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-2.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.781) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.42 (180deg=-0.42) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -1.52 (180deg=-1.52) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -5.08! (180deg=-9.01!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -0.0516 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.794 3.126 8.068 1.00 10.49 N ATOM 2 CA ASP A 1 -13.975 2.261 8.945 1.00 10.08 C ATOM 3 C ASP A 1 -14.266 1.054 8.055 1.00 8.98 C ATOM 4 O ASP A 1 -15.439 0.723 7.893 1.00 8.73 O ATOM 5 CB ASP A 1 -14.697 2.666 10.249 1.00 10.91 C ATOM 6 CG ASP A 1 -13.768 2.517 11.438 1.00 11.87 C ATOM 7 OD1 ASP A 1 -12.680 3.120 11.342 1.00 12.78 O ATOM 8 OD2 ASP A 1 -14.152 1.798 12.381 1.00 11.98 O ATOM 0 H1 ASP A 1 -14.633 4.123 8.315 1.00 10.49 H new ATOM 0 H2 ASP A 1 -14.526 2.968 7.076 1.00 10.49 H new ATOM 0 H3 ASP A 1 -15.800 2.896 8.196 1.00 10.49 H new ATOM 0 HA ASP A 1 -12.925 2.212 9.232 1.00 10.08 H new ATOM 0 HB2 ASP A 1 -15.041 3.698 10.176 1.00 10.91 H new ATOM 0 HB3 ASP A 1 -15.581 2.044 10.390 1.00 10.91 H new ATOM 15 N LYS A 2 -13.280 0.458 7.375 1.00 8.76 N ATOM 16 CA LYS A 2 -13.601 -0.560 6.374 1.00 7.95 C ATOM 17 C LYS A 2 -12.511 -1.615 6.316 1.00 7.45 C ATOM 18 O LYS A 2 -11.347 -1.301 6.537 1.00 8.59 O ATOM 19 CB LYS A 2 -13.781 0.109 4.999 1.00 9.02 C ATOM 20 CG LYS A 2 -15.257 0.171 4.577 1.00 9.09 C ATOM 21 CD LYS A 2 -15.585 1.523 3.941 1.00 10.58 C ATOM 22 CE LYS A 2 -16.934 1.446 3.225 1.00 10.88 C ATOM 23 NZ LYS A 2 -17.267 2.723 2.557 1.00 12.21 N ATOM 0 H LYS A 2 -12.286 0.655 7.494 1.00 8.76 H new ATOM 0 HA LYS A 2 -14.532 -1.054 6.654 1.00 7.95 H new ATOM 0 HB2 LYS A 2 -13.370 1.118 5.031 1.00 9.02 H new ATOM 0 HB3 LYS A 2 -13.213 -0.443 4.250 1.00 9.02 H new ATOM 0 HG2 LYS A 2 -15.471 -0.630 3.870 1.00 9.09 H new ATOM 0 HG3 LYS A 2 -15.895 0.008 5.446 1.00 9.09 H new ATOM 0 HD2 LYS A 2 -15.613 2.298 4.707 1.00 10.58 H new ATOM 0 HD3 LYS A 2 -14.803 1.802 3.234 1.00 10.58 H new ATOM 0 HE2 LYS A 2 -16.910 0.644 2.487 1.00 10.88 H new ATOM 0 HE3 LYS A 2 -17.715 1.196 3.943 1.00 10.88 H new ATOM 0 HZ1 LYS A 2 -18.188 2.636 2.081 1.00 12.21 H new ATOM 0 HZ2 LYS A 2 -17.313 3.483 3.265 1.00 12.21 H new ATOM 0 HZ3 LYS A 2 -16.534 2.949 1.854 1.00 12.21 H new ATOM 37 N ASP A 3 -12.911 -2.844 5.988 1.00 6.38 N ATOM 38 CA ASP A 3 -12.004 -3.980 5.886 1.00 6.59 C ATOM 39 C ASP A 3 -11.654 -4.259 4.431 1.00 5.38 C ATOM 40 O ASP A 3 -10.501 -4.447 4.055 1.00 6.00 O ATOM 41 CB ASP A 3 -12.663 -5.196 6.550 1.00 7.44 C ATOM 42 CG ASP A 3 -11.652 -6.312 6.797 1.00 9.22 C ATOM 43 OD1 ASP A 3 -10.585 -5.994 7.366 1.00 10.51 O ATOM 44 OD2 ASP A 3 -11.974 -7.465 6.441 1.00 9.62 O ATOM 0 H ASP A 3 -13.883 -3.078 5.785 1.00 6.38 H new ATOM 0 HA ASP A 3 -11.070 -3.757 6.401 1.00 6.59 H new ATOM 0 HB2 ASP A 3 -13.114 -4.896 7.496 1.00 7.44 H new ATOM 0 HB3 ASP A 3 -13.468 -5.567 5.916 1.00 7.44 H new ATOM 49 N VAL A 4 -12.684 -4.220 3.593 1.00 3.93 N ATOM 50 CA VAL A 4 -12.623 -4.509 2.177 1.00 2.91 C ATOM 51 C VAL A 4 -13.575 -3.552 1.460 1.00 2.14 C ATOM 52 O VAL A 4 -14.776 -3.789 1.386 1.00 2.61 O ATOM 53 CB VAL A 4 -12.991 -5.976 1.892 1.00 2.28 C ATOM 54 CG1 VAL A 4 -12.373 -6.382 0.560 1.00 2.96 C ATOM 55 CG2 VAL A 4 -12.479 -6.952 2.958 1.00 2.93 C ATOM 0 H VAL A 4 -13.624 -3.974 3.903 1.00 3.93 H new ATOM 0 HA VAL A 4 -11.606 -4.366 1.812 1.00 2.91 H new ATOM 0 HB VAL A 4 -14.080 -6.032 1.885 1.00 2.28 H new ATOM 0 HG11 VAL A 4 -12.625 -7.420 0.343 1.00 2.96 H new ATOM 0 HG12 VAL A 4 -12.762 -5.742 -0.232 1.00 2.96 H new ATOM 0 HG13 VAL A 4 -11.290 -6.275 0.614 1.00 2.96 H new ATOM 0 HG21 VAL A 4 -12.774 -7.967 2.694 1.00 2.93 H new ATOM 0 HG22 VAL A 4 -11.392 -6.893 3.013 1.00 2.93 H new ATOM 0 HG23 VAL A 4 -12.906 -6.690 3.926 1.00 2.93 H new ATOM 65 N LYS A 5 -13.064 -2.436 0.939 1.00 1.39 N ATOM 66 CA LYS A 5 -13.896 -1.490 0.202 1.00 0.88 C ATOM 67 C LYS A 5 -13.984 -1.841 -1.283 1.00 0.86 C ATOM 68 O LYS A 5 -14.729 -1.175 -1.992 1.00 1.86 O ATOM 69 CB LYS A 5 -13.355 -0.073 0.414 1.00 0.88 C ATOM 70 CG LYS A 5 -14.445 1.008 0.439 1.00 1.35 C ATOM 71 CD LYS A 5 -14.804 1.649 -0.909 1.00 2.32 C ATOM 72 CE LYS A 5 -16.231 1.336 -1.373 1.00 3.71 C ATOM 73 NZ LYS A 5 -16.817 2.470 -2.125 1.00 4.67 N ATOM 0 H LYS A 5 -12.083 -2.168 1.014 1.00 1.39 H new ATOM 0 HA LYS A 5 -14.914 -1.546 0.588 1.00 0.88 H new ATOM 0 HB2 LYS A 5 -12.803 -0.041 1.353 1.00 0.88 H new ATOM 0 HB3 LYS A 5 -12.645 0.158 -0.380 1.00 0.88 H new ATOM 0 HG2 LYS A 5 -15.350 0.571 0.861 1.00 1.35 H new ATOM 0 HG3 LYS A 5 -14.126 1.798 1.119 1.00 1.35 H new ATOM 0 HD2 LYS A 5 -14.684 2.730 -0.832 1.00 2.32 H new ATOM 0 HD3 LYS A 5 -14.100 1.303 -1.666 1.00 2.32 H new ATOM 0 HE2 LYS A 5 -16.223 0.446 -2.002 1.00 3.71 H new ATOM 0 HE3 LYS A 5 -16.855 1.110 -0.508 1.00 3.71 H new ATOM 0 HZ1 LYS A 5 -17.783 2.226 -2.425 1.00 4.67 H new ATOM 0 HZ2 LYS A 5 -16.846 3.312 -1.516 1.00 4.67 H new ATOM 0 HZ3 LYS A 5 -16.234 2.669 -2.963 1.00 4.67 H new ATOM 87 N TYR A 6 -13.266 -2.889 -1.716 1.00 0.78 N ATOM 88 CA TYR A 6 -13.246 -3.453 -3.058 1.00 0.60 C ATOM 89 C TYR A 6 -13.068 -2.371 -4.130 1.00 0.56 C ATOM 90 O TYR A 6 -14.040 -1.817 -4.637 1.00 0.71 O ATOM 91 CB TYR A 6 -14.495 -4.337 -3.250 1.00 0.73 C ATOM 92 CG TYR A 6 -14.251 -5.783 -3.647 1.00 1.26 C ATOM 93 CD1 TYR A 6 -13.216 -6.536 -3.055 1.00 2.22 C ATOM 94 CD2 TYR A 6 -15.136 -6.412 -4.545 1.00 2.81 C ATOM 95 CE1 TYR A 6 -13.067 -7.901 -3.353 1.00 2.99 C ATOM 96 CE2 TYR A 6 -15.012 -7.783 -4.826 1.00 3.72 C ATOM 97 CZ TYR A 6 -13.975 -8.535 -4.226 1.00 3.39 C ATOM 98 OH TYR A 6 -13.865 -9.874 -4.455 1.00 4.41 O ATOM 0 H TYR A 6 -12.643 -3.394 -1.086 1.00 0.78 H new ATOM 0 HA TYR A 6 -12.373 -4.094 -3.179 1.00 0.60 H new ATOM 0 HB2 TYR A 6 -15.063 -4.330 -2.320 1.00 0.73 H new ATOM 0 HB3 TYR A 6 -15.125 -3.876 -4.011 1.00 0.73 H new ATOM 0 HD1 TYR A 6 -12.533 -6.060 -2.367 1.00 2.22 H new ATOM 0 HD2 TYR A 6 -15.916 -5.836 -5.021 1.00 2.81 H new ATOM 0 HE1 TYR A 6 -12.257 -8.465 -2.914 1.00 2.99 H new ATOM 0 HE2 TYR A 6 -15.707 -8.262 -5.499 1.00 3.72 H new ATOM 0 HH TYR A 6 -14.566 -10.158 -5.079 1.00 4.41 H new ATOM 108 N TYR A 7 -11.823 -2.047 -4.488 1.00 0.43 N ATOM 109 CA TYR A 7 -11.540 -0.968 -5.400 1.00 0.46 C ATOM 110 C TYR A 7 -11.020 -1.537 -6.715 1.00 0.52 C ATOM 111 O TYR A 7 -10.393 -2.595 -6.743 1.00 0.51 O ATOM 112 CB TYR A 7 -10.509 -0.069 -4.727 1.00 0.46 C ATOM 113 CG TYR A 7 -11.087 1.006 -3.841 1.00 0.50 C ATOM 114 CD1 TYR A 7 -11.826 2.050 -4.426 1.00 1.65 C ATOM 115 CD2 TYR A 7 -10.857 0.997 -2.455 1.00 1.81 C ATOM 116 CE1 TYR A 7 -12.348 3.083 -3.632 1.00 1.66 C ATOM 117 CE2 TYR A 7 -11.374 2.028 -1.652 1.00 1.89 C ATOM 118 CZ TYR A 7 -12.124 3.074 -2.237 1.00 0.71 C ATOM 119 OH TYR A 7 -12.634 4.063 -1.452 1.00 0.88 O ATOM 0 H TYR A 7 -10.993 -2.532 -4.147 1.00 0.43 H new ATOM 0 HA TYR A 7 -12.434 -0.388 -5.630 1.00 0.46 H new ATOM 0 HB2 TYR A 7 -9.840 -0.690 -4.131 1.00 0.46 H new ATOM 0 HB3 TYR A 7 -9.902 0.404 -5.499 1.00 0.46 H new ATOM 0 HD1 TYR A 7 -11.993 2.057 -5.493 1.00 1.65 H new ATOM 0 HD2 TYR A 7 -10.284 0.199 -2.007 1.00 1.81 H new ATOM 0 HE1 TYR A 7 -12.918 3.881 -4.085 1.00 1.66 H new ATOM 0 HE2 TYR A 7 -11.198 2.021 -0.586 1.00 1.89 H new ATOM 0 HH TYR A 7 -12.385 3.900 -0.518 1.00 0.88 H new ATOM 129 N THR A 8 -11.278 -0.834 -7.814 1.00 0.68 N ATOM 130 CA THR A 8 -10.912 -1.316 -9.138 1.00 0.81 C ATOM 131 C THR A 8 -9.443 -0.993 -9.341 1.00 0.75 C ATOM 132 O THR A 8 -9.028 0.082 -8.920 1.00 0.73 O ATOM 133 CB THR A 8 -11.791 -0.686 -10.240 1.00 0.91 C ATOM 134 OG1 THR A 8 -11.189 0.472 -10.785 1.00 0.93 O ATOM 135 CG2 THR A 8 -13.203 -0.367 -9.741 1.00 1.68 C ATOM 0 H THR A 8 -11.741 0.075 -7.811 1.00 0.68 H new ATOM 0 HA THR A 8 -11.078 -2.391 -9.208 1.00 0.81 H new ATOM 0 HB THR A 8 -11.879 -1.433 -11.029 1.00 0.91 H new ATOM 0 HG1 THR A 8 -11.773 1.245 -10.637 1.00 0.93 H new ATOM 0 HG21 THR A 8 -13.784 0.074 -10.551 1.00 1.68 H new ATOM 0 HG22 THR A 8 -13.686 -1.285 -9.406 1.00 1.68 H new ATOM 0 HG23 THR A 8 -13.145 0.337 -8.911 1.00 1.68 H new ATOM 143 N LEU A 9 -8.653 -1.847 -10.010 1.00 0.75 N ATOM 144 CA LEU A 9 -7.249 -1.522 -10.254 1.00 0.75 C ATOM 145 C LEU A 9 -7.085 -0.111 -10.811 1.00 0.71 C ATOM 146 O LEU A 9 -6.074 0.523 -10.533 1.00 0.60 O ATOM 147 CB LEU A 9 -6.560 -2.499 -11.211 1.00 0.81 C ATOM 148 CG LEU A 9 -6.669 -3.941 -10.714 1.00 0.92 C ATOM 149 CD1 LEU A 9 -7.917 -4.621 -11.272 1.00 2.86 C ATOM 150 CD2 LEU A 9 -5.378 -4.712 -10.970 1.00 2.12 C ATOM 0 H LEU A 9 -8.958 -2.746 -10.382 1.00 0.75 H new ATOM 0 HA LEU A 9 -6.771 -1.598 -9.278 1.00 0.75 H new ATOM 0 HB2 LEU A 9 -7.010 -2.419 -12.201 1.00 0.81 H new ATOM 0 HB3 LEU A 9 -5.510 -2.228 -11.316 1.00 0.81 H new ATOM 0 HG LEU A 9 -6.795 -3.931 -9.631 1.00 0.92 H new ATOM 0 HD11 LEU A 9 -7.969 -5.645 -10.902 1.00 2.86 H new ATOM 0 HD12 LEU A 9 -8.804 -4.074 -10.952 1.00 2.86 H new ATOM 0 HD13 LEU A 9 -7.870 -4.630 -12.361 1.00 2.86 H new ATOM 0 HD21 LEU A 9 -5.486 -5.734 -10.606 1.00 2.12 H new ATOM 0 HD22 LEU A 9 -5.170 -4.728 -12.040 1.00 2.12 H new ATOM 0 HD23 LEU A 9 -4.554 -4.226 -10.447 1.00 2.12 H new ATOM 162 N GLU A 10 -8.071 0.380 -11.567 1.00 0.87 N ATOM 163 CA GLU A 10 -8.080 1.740 -12.069 1.00 0.90 C ATOM 164 C GLU A 10 -7.910 2.714 -10.908 1.00 0.71 C ATOM 165 O GLU A 10 -6.956 3.487 -10.901 1.00 0.68 O ATOM 166 CB GLU A 10 -9.377 2.004 -12.856 1.00 1.18 C ATOM 167 CG GLU A 10 -9.059 2.772 -14.140 1.00 1.79 C ATOM 168 CD GLU A 10 -10.330 3.243 -14.849 1.00 2.67 C ATOM 169 OE1 GLU A 10 -11.036 2.366 -15.396 1.00 3.11 O ATOM 170 OE2 GLU A 10 -10.554 4.473 -14.869 1.00 3.67 O ATOM 0 H GLU A 10 -8.887 -0.166 -11.845 1.00 0.87 H new ATOM 0 HA GLU A 10 -7.246 1.887 -12.755 1.00 0.90 H new ATOM 0 HB2 GLU A 10 -9.865 1.060 -13.098 1.00 1.18 H new ATOM 0 HB3 GLU A 10 -10.075 2.575 -12.243 1.00 1.18 H new ATOM 0 HG2 GLU A 10 -8.434 3.633 -13.903 1.00 1.79 H new ATOM 0 HG3 GLU A 10 -8.483 2.135 -14.811 1.00 1.79 H new ATOM 177 N GLU A 11 -8.776 2.644 -9.892 1.00 0.76 N ATOM 178 CA GLU A 11 -8.746 3.572 -8.783 1.00 0.68 C ATOM 179 C GLU A 11 -7.411 3.476 -8.055 1.00 0.52 C ATOM 180 O GLU A 11 -6.795 4.489 -7.746 1.00 0.51 O ATOM 181 CB GLU A 11 -9.892 3.315 -7.799 1.00 0.87 C ATOM 182 CG GLU A 11 -11.244 2.946 -8.412 1.00 1.59 C ATOM 183 CD GLU A 11 -11.597 3.743 -9.665 1.00 2.37 C ATOM 184 OE1 GLU A 11 -11.289 4.957 -9.690 1.00 2.01 O ATOM 185 OE2 GLU A 11 -12.177 3.098 -10.567 1.00 3.97 O ATOM 0 H GLU A 11 -9.511 1.940 -9.825 1.00 0.76 H new ATOM 0 HA GLU A 11 -8.870 4.576 -9.189 1.00 0.68 H new ATOM 0 HB2 GLU A 11 -9.591 2.512 -7.126 1.00 0.87 H new ATOM 0 HB3 GLU A 11 -10.026 4.208 -7.189 1.00 0.87 H new ATOM 0 HG2 GLU A 11 -11.242 1.884 -8.658 1.00 1.59 H new ATOM 0 HG3 GLU A 11 -12.023 3.099 -7.665 1.00 1.59 H new ATOM 192 N ILE A 12 -6.903 2.266 -7.819 1.00 0.47 N ATOM 193 CA ILE A 12 -5.631 2.105 -7.130 1.00 0.41 C ATOM 194 C ILE A 12 -4.522 2.805 -7.921 1.00 0.42 C ATOM 195 O ILE A 12 -3.678 3.516 -7.368 1.00 0.43 O ATOM 196 CB ILE A 12 -5.367 0.604 -6.916 1.00 0.54 C ATOM 197 CG1 ILE A 12 -6.430 0.079 -5.947 1.00 0.51 C ATOM 198 CG2 ILE A 12 -3.988 0.310 -6.299 1.00 0.72 C ATOM 199 CD1 ILE A 12 -7.703 -0.459 -6.551 1.00 1.32 C ATOM 0 H ILE A 12 -7.352 1.392 -8.094 1.00 0.47 H new ATOM 0 HA ILE A 12 -5.656 2.576 -6.147 1.00 0.41 H new ATOM 0 HB ILE A 12 -5.400 0.122 -7.893 1.00 0.54 H new ATOM 0 HG12 ILE A 12 -5.980 -0.711 -5.347 1.00 0.51 H new ATOM 0 HG13 ILE A 12 -6.694 0.887 -5.264 1.00 0.51 H new ATOM 0 HG21 ILE A 12 -3.867 -0.766 -6.175 1.00 0.72 H new ATOM 0 HG22 ILE A 12 -3.206 0.690 -6.957 1.00 0.72 H new ATOM 0 HG23 ILE A 12 -3.913 0.798 -5.327 1.00 0.72 H new ATOM 0 HD11 ILE A 12 -8.368 -0.797 -5.756 1.00 1.32 H new ATOM 0 HD12 ILE A 12 -8.194 0.327 -7.125 1.00 1.32 H new ATOM 0 HD13 ILE A 12 -7.468 -1.296 -7.209 1.00 1.32 H new ATOM 211 N LYS A 13 -4.554 2.652 -9.241 1.00 0.46 N ATOM 212 CA LYS A 13 -3.566 3.223 -10.139 1.00 0.53 C ATOM 213 C LYS A 13 -3.921 4.679 -10.473 1.00 0.55 C ATOM 214 O LYS A 13 -3.166 5.333 -11.187 1.00 0.82 O ATOM 215 CB LYS A 13 -3.438 2.290 -11.356 1.00 0.72 C ATOM 216 CG LYS A 13 -2.821 0.946 -10.902 1.00 1.19 C ATOM 217 CD LYS A 13 -3.295 -0.281 -11.692 1.00 1.19 C ATOM 218 CE LYS A 13 -2.483 -0.467 -12.971 1.00 1.42 C ATOM 219 NZ LYS A 13 -3.303 -1.070 -14.044 1.00 2.06 N ATOM 0 H LYS A 13 -5.280 2.119 -9.720 1.00 0.46 H new ATOM 0 HA LYS A 13 -2.581 3.284 -9.675 1.00 0.53 H new ATOM 0 HB2 LYS A 13 -4.417 2.122 -11.805 1.00 0.72 H new ATOM 0 HB3 LYS A 13 -2.812 2.752 -12.120 1.00 0.72 H new ATOM 0 HG2 LYS A 13 -1.736 1.015 -10.982 1.00 1.19 H new ATOM 0 HG3 LYS A 13 -3.053 0.794 -9.848 1.00 1.19 H new ATOM 0 HD2 LYS A 13 -3.207 -1.172 -11.070 1.00 1.19 H new ATOM 0 HD3 LYS A 13 -4.350 -0.170 -11.942 1.00 1.19 H new ATOM 0 HE2 LYS A 13 -2.097 0.497 -13.303 1.00 1.42 H new ATOM 0 HE3 LYS A 13 -1.621 -1.103 -12.768 1.00 1.42 H new ATOM 0 HZ1 LYS A 13 -2.724 -1.184 -14.901 1.00 2.06 H new ATOM 0 HZ2 LYS A 13 -3.650 -2.000 -13.734 1.00 2.06 H new ATOM 0 HZ3 LYS A 13 -4.112 -0.450 -14.253 1.00 2.06 H new ATOM 233 N LYS A 14 -4.997 5.224 -9.892 1.00 0.50 N ATOM 234 CA LYS A 14 -5.441 6.612 -10.045 1.00 0.59 C ATOM 235 C LYS A 14 -5.038 7.466 -8.843 1.00 0.60 C ATOM 236 O LYS A 14 -5.210 8.681 -8.878 1.00 0.89 O ATOM 237 CB LYS A 14 -6.967 6.596 -10.216 1.00 0.69 C ATOM 238 CG LYS A 14 -7.693 7.942 -10.385 1.00 1.33 C ATOM 239 CD LYS A 14 -8.536 8.301 -9.146 1.00 2.79 C ATOM 240 CE LYS A 14 -9.808 9.054 -9.548 1.00 3.77 C ATOM 241 NZ LYS A 14 -9.573 10.499 -9.742 1.00 4.59 N ATOM 0 H LYS A 14 -5.607 4.686 -9.277 1.00 0.50 H new ATOM 0 HA LYS A 14 -4.963 7.058 -10.917 1.00 0.59 H new ATOM 0 HB2 LYS A 14 -7.198 5.981 -11.086 1.00 0.69 H new ATOM 0 HB3 LYS A 14 -7.394 6.094 -9.348 1.00 0.69 H new ATOM 0 HG2 LYS A 14 -6.961 8.729 -10.566 1.00 1.33 H new ATOM 0 HG3 LYS A 14 -8.338 7.899 -11.263 1.00 1.33 H new ATOM 0 HD2 LYS A 14 -8.802 7.392 -8.607 1.00 2.79 H new ATOM 0 HD3 LYS A 14 -7.946 8.914 -8.465 1.00 2.79 H new ATOM 0 HE2 LYS A 14 -10.203 8.627 -10.470 1.00 3.77 H new ATOM 0 HE3 LYS A 14 -10.568 8.913 -8.780 1.00 3.77 H new ATOM 0 HZ1 LYS A 14 -10.464 10.962 -10.013 1.00 4.59 H new ATOM 0 HZ2 LYS A 14 -9.221 10.916 -8.856 1.00 4.59 H new ATOM 0 HZ3 LYS A 14 -8.868 10.638 -10.494 1.00 4.59 H new ATOM 255 N HIS A 15 -4.530 6.866 -7.762 1.00 0.53 N ATOM 256 CA HIS A 15 -3.983 7.634 -6.661 1.00 0.65 C ATOM 257 C HIS A 15 -2.504 7.870 -6.967 1.00 1.06 C ATOM 258 O HIS A 15 -2.191 8.436 -8.003 1.00 2.70 O ATOM 259 CB HIS A 15 -4.276 6.886 -5.360 1.00 0.78 C ATOM 260 CG HIS A 15 -5.750 6.856 -5.051 1.00 0.76 C ATOM 261 ND1 HIS A 15 -6.522 7.898 -4.581 1.00 1.08 N ATOM 262 CD2 HIS A 15 -6.572 5.781 -5.225 1.00 0.76 C ATOM 263 CE1 HIS A 15 -7.787 7.450 -4.496 1.00 1.14 C ATOM 264 NE2 HIS A 15 -7.870 6.176 -4.896 1.00 0.94 N ATOM 0 H HIS A 15 -4.490 5.855 -7.635 1.00 0.53 H new ATOM 0 HA HIS A 15 -4.436 8.617 -6.537 1.00 0.65 H new ATOM 0 HB2 HIS A 15 -3.900 5.866 -5.435 1.00 0.78 H new ATOM 0 HB3 HIS A 15 -3.742 7.363 -4.538 1.00 0.78 H new ATOM 0 HD2 HIS A 15 -6.272 4.799 -5.558 1.00 0.76 H new ATOM 0 HE1 HIS A 15 -8.624 8.039 -4.151 1.00 1.14 H new ATOM 0 HE2 HIS A 15 -8.714 5.606 -4.950 1.00 0.94 H new ATOM 272 N ASN A 16 -1.583 7.414 -6.118 1.00 0.79 N ATOM 273 CA ASN A 16 -0.142 7.522 -6.333 1.00 0.74 C ATOM 274 C ASN A 16 0.317 8.923 -6.755 1.00 0.85 C ATOM 275 O ASN A 16 1.202 9.062 -7.592 1.00 1.36 O ATOM 276 CB ASN A 16 0.372 6.390 -7.248 1.00 0.95 C ATOM 277 CG ASN A 16 -0.163 6.396 -8.678 1.00 1.23 C ATOM 278 OD1 ASN A 16 0.463 6.910 -9.594 1.00 2.06 O ATOM 279 ND2 ASN A 16 -1.306 5.758 -8.910 1.00 2.02 N ATOM 0 H ASN A 16 -1.824 6.949 -5.243 1.00 0.79 H new ATOM 0 HA ASN A 16 0.334 7.379 -5.363 1.00 0.74 H new ATOM 0 HB2 ASN A 16 1.460 6.446 -7.287 1.00 0.95 H new ATOM 0 HB3 ASN A 16 0.118 5.434 -6.789 1.00 0.95 H new ATOM 0 HD21 ASN A 16 -1.670 5.693 -9.861 1.00 2.02 H new ATOM 0 HD22 ASN A 16 -1.819 5.333 -8.137 1.00 2.02 H new ATOM 286 N HIS A 17 -0.244 9.973 -6.140 1.00 0.65 N ATOM 287 CA HIS A 17 0.070 11.342 -6.530 1.00 1.00 C ATOM 288 C HIS A 17 0.939 12.006 -5.460 1.00 1.27 C ATOM 289 O HIS A 17 2.154 12.089 -5.604 1.00 2.74 O ATOM 290 CB HIS A 17 -1.227 12.118 -6.809 1.00 1.05 C ATOM 291 CG HIS A 17 -1.788 11.873 -8.188 1.00 1.52 C ATOM 292 ND1 HIS A 17 -1.278 12.378 -9.364 1.00 2.76 N ATOM 293 CD2 HIS A 17 -2.900 11.137 -8.502 1.00 1.52 C ATOM 294 CE1 HIS A 17 -2.070 11.950 -10.363 1.00 3.49 C ATOM 295 NE2 HIS A 17 -3.081 11.211 -9.886 1.00 2.70 N ATOM 0 H HIS A 17 -0.914 9.895 -5.375 1.00 0.65 H new ATOM 0 HA HIS A 17 0.648 11.342 -7.454 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.975 11.840 -6.066 1.00 1.05 H new ATOM 0 HB3 HIS A 17 -1.037 13.184 -6.686 1.00 1.05 H new ATOM 0 HD2 HIS A 17 -3.524 10.597 -7.806 1.00 1.52 H new ATOM 0 HE1 HIS A 17 -1.913 12.172 -11.408 1.00 3.49 H new ATOM 0 HE2 HIS A 17 -3.834 10.786 -10.427 1.00 2.70 H new ATOM 303 N SER A 18 0.308 12.485 -4.387 1.00 1.12 N ATOM 304 CA SER A 18 0.987 13.164 -3.286 1.00 1.11 C ATOM 305 C SER A 18 0.141 13.087 -2.018 1.00 0.96 C ATOM 306 O SER A 18 0.653 12.812 -0.939 1.00 1.94 O ATOM 307 CB SER A 18 1.232 14.636 -3.652 1.00 1.57 C ATOM 308 OG SER A 18 2.553 14.815 -4.114 1.00 2.30 O ATOM 0 H SER A 18 -0.701 12.411 -4.258 1.00 1.12 H new ATOM 0 HA SER A 18 1.943 12.672 -3.107 1.00 1.11 H new ATOM 0 HB2 SER A 18 0.526 14.948 -4.421 1.00 1.57 H new ATOM 0 HB3 SER A 18 1.056 15.268 -2.782 1.00 1.57 H new ATOM 0 HG SER A 18 2.795 14.074 -4.708 1.00 2.30 H new ATOM 314 N LYS A 19 -1.173 13.293 -2.143 1.00 0.87 N ATOM 315 CA LYS A 19 -2.105 13.247 -1.020 1.00 0.87 C ATOM 316 C LYS A 19 -2.937 11.963 -1.086 1.00 0.88 C ATOM 317 O LYS A 19 -4.058 11.918 -0.592 1.00 1.46 O ATOM 318 CB LYS A 19 -2.953 14.534 -0.985 1.00 1.40 C ATOM 319 CG LYS A 19 -2.505 15.508 0.114 1.00 2.54 C ATOM 320 CD LYS A 19 -1.149 16.165 -0.174 1.00 3.55 C ATOM 321 CE LYS A 19 -0.960 17.382 0.743 1.00 4.85 C ATOM 322 NZ LYS A 19 -1.675 18.579 0.243 1.00 5.19 N ATOM 0 H LYS A 19 -1.621 13.498 -3.036 1.00 0.87 H new ATOM 0 HA LYS A 19 -1.561 13.214 -0.076 1.00 0.87 H new ATOM 0 HB2 LYS A 19 -2.891 15.031 -1.953 1.00 1.40 H new ATOM 0 HB3 LYS A 19 -3.999 14.271 -0.828 1.00 1.40 H new ATOM 0 HG2 LYS A 19 -3.260 16.285 0.231 1.00 2.54 H new ATOM 0 HG3 LYS A 19 -2.448 14.974 1.062 1.00 2.54 H new ATOM 0 HD2 LYS A 19 -0.345 15.447 -0.013 1.00 3.55 H new ATOM 0 HD3 LYS A 19 -1.097 16.473 -1.218 1.00 3.55 H new ATOM 0 HE2 LYS A 19 -1.318 17.139 1.744 1.00 4.85 H new ATOM 0 HE3 LYS A 19 0.103 17.607 0.830 1.00 4.85 H new ATOM 0 HZ1 LYS A 19 -1.518 19.374 0.894 1.00 5.19 H new ATOM 0 HZ2 LYS A 19 -1.317 18.828 -0.701 1.00 5.19 H new ATOM 0 HZ3 LYS A 19 -2.693 18.376 0.184 1.00 5.19 H new ATOM 336 N SER A 20 -2.392 10.915 -1.702 1.00 0.60 N ATOM 337 CA SER A 20 -2.979 9.585 -1.784 1.00 0.62 C ATOM 338 C SER A 20 -1.902 8.658 -2.362 1.00 0.72 C ATOM 339 O SER A 20 -1.908 8.338 -3.545 1.00 1.34 O ATOM 340 CB SER A 20 -4.244 9.605 -2.646 1.00 0.78 C ATOM 341 OG SER A 20 -5.414 9.869 -1.900 1.00 1.41 O ATOM 0 H SER A 20 -1.491 10.976 -2.177 1.00 0.60 H new ATOM 0 HA SER A 20 -3.289 9.227 -0.802 1.00 0.62 H new ATOM 0 HB2 SER A 20 -4.136 10.362 -3.423 1.00 0.78 H new ATOM 0 HB3 SER A 20 -4.349 8.644 -3.150 1.00 0.78 H new ATOM 0 HG SER A 20 -5.248 10.612 -1.283 1.00 1.41 H new ATOM 347 N THR A 21 -0.923 8.271 -1.553 1.00 0.50 N ATOM 348 CA THR A 21 -0.010 7.182 -1.841 1.00 0.39 C ATOM 349 C THR A 21 -0.680 5.876 -1.419 1.00 0.32 C ATOM 350 O THR A 21 -0.507 5.398 -0.297 1.00 0.39 O ATOM 351 CB THR A 21 1.310 7.459 -1.121 1.00 0.44 C ATOM 352 OG1 THR A 21 1.887 8.581 -1.752 1.00 0.67 O ATOM 353 CG2 THR A 21 2.284 6.289 -1.182 1.00 0.38 C ATOM 0 H THR A 21 -0.741 8.721 -0.656 1.00 0.50 H new ATOM 0 HA THR A 21 0.220 7.095 -2.903 1.00 0.39 H new ATOM 0 HB THR A 21 1.106 7.629 -0.064 1.00 0.44 H new ATOM 0 HG1 THR A 21 2.820 8.385 -1.978 1.00 0.67 H new ATOM 0 HG21 THR A 21 3.200 6.550 -0.653 1.00 0.38 H new ATOM 0 HG22 THR A 21 1.832 5.414 -0.715 1.00 0.38 H new ATOM 0 HG23 THR A 21 2.518 6.064 -2.223 1.00 0.38 H new ATOM 361 N TRP A 22 -1.491 5.314 -2.319 1.00 0.34 N ATOM 362 CA TRP A 22 -1.944 3.942 -2.168 1.00 0.33 C ATOM 363 C TRP A 22 -0.893 3.008 -2.729 1.00 0.33 C ATOM 364 O TRP A 22 0.069 3.469 -3.336 1.00 0.36 O ATOM 365 CB TRP A 22 -3.262 3.751 -2.913 1.00 0.36 C ATOM 366 CG TRP A 22 -4.442 4.360 -2.240 1.00 0.32 C ATOM 367 CD1 TRP A 22 -4.420 5.231 -1.208 1.00 0.35 C ATOM 368 CD2 TRP A 22 -5.845 4.104 -2.513 1.00 0.32 C ATOM 369 NE1 TRP A 22 -5.709 5.560 -0.854 1.00 0.35 N ATOM 370 CE2 TRP A 22 -6.631 4.906 -1.640 1.00 0.36 C ATOM 371 CE3 TRP A 22 -6.521 3.263 -3.415 1.00 0.38 C ATOM 372 CZ2 TRP A 22 -8.031 4.901 -1.686 1.00 0.47 C ATOM 373 CZ3 TRP A 22 -7.923 3.277 -3.506 1.00 0.47 C ATOM 374 CH2 TRP A 22 -8.674 4.102 -2.647 1.00 0.53 C ATOM 0 H TRP A 22 -1.841 5.789 -3.151 1.00 0.34 H new ATOM 0 HA TRP A 22 -2.100 3.720 -1.112 1.00 0.33 H new ATOM 0 HB2 TRP A 22 -3.167 4.179 -3.911 1.00 0.36 H new ATOM 0 HB3 TRP A 22 -3.442 2.684 -3.040 1.00 0.36 H new ATOM 0 HD1 TRP A 22 -3.528 5.611 -0.733 1.00 0.35 H new ATOM 0 HE1 TRP A 22 -5.951 6.207 -0.104 1.00 0.35 H new ATOM 0 HE3 TRP A 22 -5.954 2.596 -4.047 1.00 0.38 H new ATOM 0 HZ2 TRP A 22 -8.606 5.500 -0.996 1.00 0.47 H new ATOM 0 HZ3 TRP A 22 -8.424 2.656 -4.234 1.00 0.47 H new ATOM 0 HH2 TRP A 22 -9.751 4.121 -2.727 1.00 0.53 H new ATOM 385 N LEU A 23 -1.097 1.702 -2.568 1.00 0.33 N ATOM 386 CA LEU A 23 -0.244 0.655 -3.109 1.00 0.36 C ATOM 387 C LEU A 23 -0.955 -0.685 -2.929 1.00 0.42 C ATOM 388 O LEU A 23 -2.081 -0.722 -2.426 1.00 0.60 O ATOM 389 CB LEU A 23 1.131 0.703 -2.425 1.00 0.32 C ATOM 390 CG LEU A 23 1.077 0.693 -0.890 1.00 0.35 C ATOM 391 CD1 LEU A 23 0.798 -0.713 -0.387 1.00 0.52 C ATOM 392 CD2 LEU A 23 2.422 1.161 -0.323 1.00 0.47 C ATOM 0 H LEU A 23 -1.888 1.335 -2.039 1.00 0.33 H new ATOM 0 HA LEU A 23 -0.065 0.799 -4.175 1.00 0.36 H new ATOM 0 HB2 LEU A 23 1.720 -0.150 -2.761 1.00 0.32 H new ATOM 0 HB3 LEU A 23 1.655 1.601 -2.752 1.00 0.32 H new ATOM 0 HG LEU A 23 0.281 1.363 -0.564 1.00 0.35 H new ATOM 0 HD11 LEU A 23 0.762 -0.709 0.702 1.00 0.52 H new ATOM 0 HD12 LEU A 23 -0.158 -1.057 -0.781 1.00 0.52 H new ATOM 0 HD13 LEU A 23 1.590 -1.383 -0.721 1.00 0.52 H new ATOM 0 HD21 LEU A 23 2.380 1.153 0.766 1.00 0.47 H new ATOM 0 HD22 LEU A 23 3.212 0.491 -0.661 1.00 0.47 H new ATOM 0 HD23 LEU A 23 2.631 2.173 -0.670 1.00 0.47 H new ATOM 404 N ILE A 24 -0.292 -1.781 -3.297 1.00 0.42 N ATOM 405 CA ILE A 24 -0.839 -3.121 -3.245 1.00 0.45 C ATOM 406 C ILE A 24 0.141 -3.926 -2.401 1.00 0.45 C ATOM 407 O ILE A 24 1.222 -4.289 -2.868 1.00 0.48 O ATOM 408 CB ILE A 24 -0.951 -3.731 -4.659 1.00 0.53 C ATOM 409 CG1 ILE A 24 -1.745 -2.790 -5.569 1.00 0.66 C ATOM 410 CG2 ILE A 24 -1.554 -5.142 -4.573 1.00 0.60 C ATOM 411 CD1 ILE A 24 -1.799 -3.231 -7.036 1.00 1.93 C ATOM 0 H ILE A 24 0.665 -1.752 -3.648 1.00 0.42 H new ATOM 0 HA ILE A 24 -1.844 -3.123 -2.824 1.00 0.45 H new ATOM 0 HB ILE A 24 0.038 -3.839 -5.104 1.00 0.53 H new ATOM 0 HG12 ILE A 24 -2.763 -2.708 -5.188 1.00 0.66 H new ATOM 0 HG13 ILE A 24 -1.304 -1.795 -5.517 1.00 0.66 H new ATOM 0 HG21 ILE A 24 -1.630 -5.567 -5.574 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -0.914 -5.775 -3.958 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -2.546 -5.087 -4.126 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -2.380 -2.510 -7.611 1.00 1.93 H new ATOM 0 HD12 ILE A 24 -0.787 -3.285 -7.437 1.00 1.93 H new ATOM 0 HD13 ILE A 24 -2.269 -4.212 -7.104 1.00 1.93 H new ATOM 423 N LEU A 25 -0.192 -4.168 -1.139 1.00 0.52 N ATOM 424 CA LEU A 25 0.573 -5.045 -0.281 1.00 0.56 C ATOM 425 C LEU A 25 -0.251 -6.310 -0.118 1.00 0.67 C ATOM 426 O LEU A 25 -1.280 -6.278 0.530 1.00 1.22 O ATOM 427 CB LEU A 25 0.850 -4.329 1.054 1.00 0.63 C ATOM 428 CG LEU A 25 2.155 -3.543 0.953 1.00 0.57 C ATOM 429 CD1 LEU A 25 2.285 -2.483 2.040 1.00 0.66 C ATOM 430 CD2 LEU A 25 3.326 -4.492 1.043 1.00 0.87 C ATOM 0 H LEU A 25 -1.007 -3.755 -0.685 1.00 0.52 H new ATOM 0 HA LEU A 25 1.546 -5.305 -0.697 1.00 0.56 H new ATOM 0 HB2 LEU A 25 0.027 -3.657 1.295 1.00 0.63 H new ATOM 0 HB3 LEU A 25 0.914 -5.057 1.862 1.00 0.63 H new ATOM 0 HG LEU A 25 2.148 -3.030 -0.009 1.00 0.57 H new ATOM 0 HD11 LEU A 25 3.231 -1.954 1.921 1.00 0.66 H new ATOM 0 HD12 LEU A 25 1.460 -1.775 1.958 1.00 0.66 H new ATOM 0 HD13 LEU A 25 2.257 -2.961 3.019 1.00 0.66 H new ATOM 0 HD21 LEU A 25 4.257 -3.929 0.971 1.00 0.87 H new ATOM 0 HD22 LEU A 25 3.294 -5.020 1.996 1.00 0.87 H new ATOM 0 HD23 LEU A 25 3.274 -5.213 0.227 1.00 0.87 H new ATOM 442 N HIS A 26 0.170 -7.422 -0.716 1.00 0.56 N ATOM 443 CA HIS A 26 -0.448 -8.728 -0.549 1.00 0.64 C ATOM 444 C HIS A 26 -1.896 -8.713 -1.017 1.00 0.68 C ATOM 445 O HIS A 26 -2.786 -8.935 -0.204 1.00 1.24 O ATOM 446 CB HIS A 26 -0.355 -9.228 0.908 1.00 0.70 C ATOM 447 CG HIS A 26 0.990 -9.742 1.331 1.00 1.24 C ATOM 448 ND1 HIS A 26 1.486 -11.000 1.069 1.00 1.93 N ATOM 449 CD2 HIS A 26 1.883 -9.096 2.141 1.00 1.76 C ATOM 450 CE1 HIS A 26 2.668 -11.101 1.701 1.00 2.67 C ATOM 451 NE2 HIS A 26 2.936 -9.975 2.385 1.00 2.57 N ATOM 0 H HIS A 26 0.972 -7.436 -1.346 1.00 0.56 H new ATOM 0 HA HIS A 26 0.110 -9.426 -1.173 1.00 0.64 H new ATOM 0 HB2 HIS A 26 -0.638 -8.412 1.572 1.00 0.70 H new ATOM 0 HB3 HIS A 26 -1.088 -10.022 1.049 1.00 0.70 H new ATOM 0 HD1 HIS A 26 1.040 -11.720 0.501 1.00 1.93 H new ATOM 0 HD2 HIS A 26 1.789 -8.090 2.521 1.00 1.76 H new ATOM 0 HE1 HIS A 26 3.313 -11.967 1.664 1.00 2.67 H new ATOM 459 N HIS A 27 -2.129 -8.582 -2.331 1.00 0.69 N ATOM 460 CA HIS A 27 -3.466 -8.496 -2.919 1.00 0.75 C ATOM 461 C HIS A 27 -4.439 -7.767 -1.991 1.00 0.66 C ATOM 462 O HIS A 27 -5.510 -8.261 -1.668 1.00 0.76 O ATOM 463 CB HIS A 27 -3.991 -9.921 -3.180 1.00 0.86 C ATOM 464 CG HIS A 27 -2.967 -10.886 -3.715 1.00 2.10 C ATOM 465 ND1 HIS A 27 -2.281 -11.811 -2.962 1.00 2.65 N ATOM 466 CD2 HIS A 27 -2.563 -11.014 -5.016 1.00 3.79 C ATOM 467 CE1 HIS A 27 -1.471 -12.484 -3.796 1.00 3.83 C ATOM 468 NE2 HIS A 27 -1.608 -12.037 -5.055 1.00 4.63 N ATOM 0 H HIS A 27 -1.380 -8.532 -3.022 1.00 0.69 H new ATOM 0 HA HIS A 27 -3.396 -7.934 -3.850 1.00 0.75 H new ATOM 0 HB2 HIS A 27 -4.394 -10.320 -2.249 1.00 0.86 H new ATOM 0 HB3 HIS A 27 -4.819 -9.864 -3.887 1.00 0.86 H new ATOM 0 HD2 HIS A 27 -2.915 -10.434 -5.856 1.00 3.79 H new ATOM 0 HE1 HIS A 27 -0.801 -13.276 -3.495 1.00 3.83 H new ATOM 0 HE2 HIS A 27 -1.113 -12.377 -5.879 1.00 4.63 H new ATOM 476 N LYS A 28 -4.043 -6.580 -1.542 1.00 0.60 N ATOM 477 CA LYS A 28 -4.867 -5.703 -0.731 1.00 0.51 C ATOM 478 C LYS A 28 -4.444 -4.288 -1.051 1.00 0.44 C ATOM 479 O LYS A 28 -3.345 -4.089 -1.557 1.00 0.52 O ATOM 480 CB LYS A 28 -4.658 -5.999 0.755 1.00 0.55 C ATOM 481 CG LYS A 28 -5.751 -6.904 1.328 1.00 0.78 C ATOM 482 CD LYS A 28 -5.156 -8.201 1.872 1.00 1.12 C ATOM 483 CE LYS A 28 -6.219 -8.986 2.637 1.00 1.43 C ATOM 484 NZ LYS A 28 -6.338 -8.525 4.037 1.00 2.06 N ATOM 0 H LYS A 28 -3.119 -6.196 -1.739 1.00 0.60 H new ATOM 0 HA LYS A 28 -5.925 -5.852 -0.947 1.00 0.51 H new ATOM 0 HB2 LYS A 28 -3.687 -6.473 0.895 1.00 0.55 H new ATOM 0 HB3 LYS A 28 -4.638 -5.061 1.310 1.00 0.55 H new ATOM 0 HG2 LYS A 28 -6.282 -6.381 2.124 1.00 0.78 H new ATOM 0 HG3 LYS A 28 -6.483 -7.132 0.553 1.00 0.78 H new ATOM 0 HD2 LYS A 28 -4.768 -8.804 1.051 1.00 1.12 H new ATOM 0 HD3 LYS A 28 -4.315 -7.977 2.529 1.00 1.12 H new ATOM 0 HE2 LYS A 28 -7.181 -8.879 2.136 1.00 1.43 H new ATOM 0 HE3 LYS A 28 -5.968 -10.047 2.623 1.00 1.43 H new ATOM 0 HZ1 LYS A 28 -7.069 -9.081 4.525 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -5.427 -8.650 4.522 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -6.602 -7.519 4.050 1.00 2.06 H new ATOM 498 N VAL A 29 -5.279 -3.303 -0.746 1.00 0.38 N ATOM 499 CA VAL A 29 -5.060 -1.941 -1.121 1.00 0.35 C ATOM 500 C VAL A 29 -4.852 -1.227 0.191 1.00 0.31 C ATOM 501 O VAL A 29 -5.722 -1.248 1.063 1.00 0.34 O ATOM 502 CB VAL A 29 -6.315 -1.460 -1.829 1.00 0.33 C ATOM 503 CG1 VAL A 29 -6.217 0.001 -2.188 1.00 0.75 C ATOM 504 CG2 VAL A 29 -6.610 -2.226 -3.098 1.00 0.55 C ATOM 0 H VAL A 29 -6.141 -3.448 -0.220 1.00 0.38 H new ATOM 0 HA VAL A 29 -4.215 -1.778 -1.790 1.00 0.35 H new ATOM 0 HB VAL A 29 -7.124 -1.629 -1.118 1.00 0.33 H new ATOM 0 HG11 VAL A 29 -7.131 0.314 -2.693 1.00 0.75 H new ATOM 0 HG12 VAL A 29 -6.084 0.590 -1.281 1.00 0.75 H new ATOM 0 HG13 VAL A 29 -5.365 0.157 -2.850 1.00 0.75 H new ATOM 0 HG21 VAL A 29 -7.518 -1.835 -3.556 1.00 0.55 H new ATOM 0 HG22 VAL A 29 -5.777 -2.115 -3.792 1.00 0.55 H new ATOM 0 HG23 VAL A 29 -6.748 -3.281 -2.862 1.00 0.55 H new ATOM 514 N TYR A 30 -3.688 -0.621 0.345 1.00 0.34 N ATOM 515 CA TYR A 30 -3.340 0.075 1.545 1.00 0.34 C ATOM 516 C TYR A 30 -3.150 1.543 1.194 1.00 0.33 C ATOM 517 O TYR A 30 -2.824 1.868 0.052 1.00 0.43 O ATOM 518 CB TYR A 30 -2.062 -0.569 2.045 1.00 0.42 C ATOM 519 CG TYR A 30 -2.233 -1.903 2.739 1.00 0.45 C ATOM 520 CD1 TYR A 30 -2.296 -3.101 2.005 1.00 1.81 C ATOM 521 CD2 TYR A 30 -2.311 -1.951 4.138 1.00 1.90 C ATOM 522 CE1 TYR A 30 -2.323 -4.335 2.680 1.00 1.84 C ATOM 523 CE2 TYR A 30 -2.392 -3.186 4.796 1.00 1.90 C ATOM 524 CZ TYR A 30 -2.326 -4.391 4.080 1.00 0.59 C ATOM 525 OH TYR A 30 -2.323 -5.596 4.722 1.00 0.70 O ATOM 0 H TYR A 30 -2.961 -0.605 -0.371 1.00 0.34 H new ATOM 0 HA TYR A 30 -4.102 0.019 2.323 1.00 0.34 H new ATOM 0 HB2 TYR A 30 -1.388 -0.703 1.199 1.00 0.42 H new ATOM 0 HB3 TYR A 30 -1.574 0.120 2.735 1.00 0.42 H new ATOM 0 HD1 TYR A 30 -2.324 -3.074 0.926 1.00 1.81 H new ATOM 0 HD2 TYR A 30 -2.309 -1.035 4.710 1.00 1.90 H new ATOM 0 HE1 TYR A 30 -2.342 -5.253 2.111 1.00 1.84 H new ATOM 0 HE2 TYR A 30 -2.507 -3.210 5.870 1.00 1.90 H new ATOM 0 HH TYR A 30 -2.325 -5.450 5.691 1.00 0.70 H new ATOM 535 N ASP A 31 -3.314 2.411 2.187 1.00 0.35 N ATOM 536 CA ASP A 31 -3.141 3.845 2.089 1.00 0.33 C ATOM 537 C ASP A 31 -2.162 4.204 3.178 1.00 0.37 C ATOM 538 O ASP A 31 -2.456 4.033 4.361 1.00 0.54 O ATOM 539 CB ASP A 31 -4.469 4.569 2.308 1.00 0.39 C ATOM 540 CG ASP A 31 -4.354 6.087 2.211 1.00 0.49 C ATOM 541 OD1 ASP A 31 -3.312 6.638 2.627 1.00 1.74 O ATOM 542 OD2 ASP A 31 -5.288 6.709 1.664 1.00 1.75 O ATOM 0 H ASP A 31 -3.584 2.113 3.124 1.00 0.35 H new ATOM 0 HA ASP A 31 -2.783 4.140 1.103 1.00 0.33 H new ATOM 0 HB2 ASP A 31 -5.191 4.219 1.571 1.00 0.39 H new ATOM 0 HB3 ASP A 31 -4.862 4.304 3.290 1.00 0.39 H new ATOM 547 N LEU A 32 -0.972 4.634 2.773 1.00 0.37 N ATOM 548 CA LEU A 32 0.037 5.053 3.719 1.00 0.47 C ATOM 549 C LEU A 32 0.421 6.504 3.424 1.00 0.34 C ATOM 550 O LEU A 32 1.530 6.937 3.700 1.00 0.40 O ATOM 551 CB LEU A 32 1.222 4.076 3.771 1.00 0.76 C ATOM 552 CG LEU A 32 1.127 2.728 3.044 1.00 0.53 C ATOM 553 CD1 LEU A 32 2.531 2.131 2.968 1.00 0.48 C ATOM 554 CD2 LEU A 32 0.247 1.743 3.809 1.00 0.61 C ATOM 0 H LEU A 32 -0.690 4.699 1.795 1.00 0.37 H new ATOM 0 HA LEU A 32 -0.366 5.025 4.731 1.00 0.47 H new ATOM 0 HB2 LEU A 32 2.093 4.599 3.376 1.00 0.76 H new ATOM 0 HB3 LEU A 32 1.426 3.866 4.821 1.00 0.76 H new ATOM 0 HG LEU A 32 0.696 2.896 2.057 1.00 0.53 H new ATOM 0 HD11 LEU A 32 2.491 1.170 2.455 1.00 0.48 H new ATOM 0 HD12 LEU A 32 3.185 2.808 2.419 1.00 0.48 H new ATOM 0 HD13 LEU A 32 2.920 1.988 3.976 1.00 0.48 H new ATOM 0 HD21 LEU A 32 0.201 0.799 3.266 1.00 0.61 H new ATOM 0 HD22 LEU A 32 0.668 1.572 4.800 1.00 0.61 H new ATOM 0 HD23 LEU A 32 -0.758 2.154 3.908 1.00 0.61 H new ATOM 566 N THR A 33 -0.495 7.292 2.872 1.00 0.29 N ATOM 567 CA THR A 33 -0.291 8.686 2.550 1.00 0.26 C ATOM 568 C THR A 33 0.047 9.515 3.781 1.00 0.31 C ATOM 569 O THR A 33 1.115 10.107 3.854 1.00 0.45 O ATOM 570 CB THR A 33 -1.594 9.211 1.963 1.00 0.35 C ATOM 571 OG1 THR A 33 -2.058 8.363 0.948 1.00 1.50 O ATOM 572 CG2 THR A 33 -1.366 10.586 1.377 1.00 1.48 C ATOM 0 H THR A 33 -1.429 6.960 2.631 1.00 0.29 H new ATOM 0 HA THR A 33 0.544 8.767 1.854 1.00 0.26 H new ATOM 0 HB THR A 33 -2.336 9.255 2.760 1.00 0.35 H new ATOM 0 HG1 THR A 33 -2.670 7.700 1.330 1.00 1.50 H new ATOM 0 HG21 THR A 33 -2.299 10.962 0.957 1.00 1.48 H new ATOM 0 HG22 THR A 33 -1.022 11.262 2.159 1.00 1.48 H new ATOM 0 HG23 THR A 33 -0.612 10.526 0.592 1.00 1.48 H new ATOM 580 N LYS A 34 -0.842 9.564 4.779 1.00 0.55 N ATOM 581 CA LYS A 34 -0.541 10.276 6.020 1.00 0.63 C ATOM 582 C LYS A 34 0.524 9.524 6.818 1.00 0.51 C ATOM 583 O LYS A 34 0.980 10.009 7.845 1.00 0.58 O ATOM 584 CB LYS A 34 -1.833 10.464 6.830 1.00 0.85 C ATOM 585 CG LYS A 34 -1.667 11.364 8.075 1.00 1.35 C ATOM 586 CD LYS A 34 -1.909 10.634 9.412 1.00 1.05 C ATOM 587 CE LYS A 34 -0.651 10.603 10.292 1.00 2.33 C ATOM 588 NZ LYS A 34 -0.724 11.470 11.483 1.00 2.51 N ATOM 0 H LYS A 34 -1.762 9.125 4.751 1.00 0.55 H new ATOM 0 HA LYS A 34 -0.138 11.262 5.789 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -2.597 10.894 6.182 1.00 0.85 H new ATOM 0 HB3 LYS A 34 -2.197 9.487 7.146 1.00 0.85 H new ATOM 0 HG2 LYS A 34 -0.660 11.781 8.078 1.00 1.35 H new ATOM 0 HG3 LYS A 34 -2.359 12.202 8.000 1.00 1.35 H new ATOM 0 HD2 LYS A 34 -2.716 11.128 9.953 1.00 1.05 H new ATOM 0 HD3 LYS A 34 -2.236 9.614 9.213 1.00 1.05 H new ATOM 0 HE2 LYS A 34 -0.472 9.577 10.614 1.00 2.33 H new ATOM 0 HE3 LYS A 34 0.207 10.903 9.690 1.00 2.33 H new ATOM 0 HZ1 LYS A 34 0.237 11.678 11.821 1.00 2.51 H new ATOM 0 HZ2 LYS A 34 -1.204 12.359 11.236 1.00 2.51 H new ATOM 0 HZ3 LYS A 34 -1.257 10.985 12.233 1.00 2.51 H new ATOM 602 N PHE A 35 0.922 8.338 6.361 1.00 0.42 N ATOM 603 CA PHE A 35 1.987 7.582 6.968 1.00 0.44 C ATOM 604 C PHE A 35 3.291 7.841 6.254 1.00 0.42 C ATOM 605 O PHE A 35 4.308 7.448 6.790 1.00 0.50 O ATOM 606 CB PHE A 35 1.663 6.103 6.870 1.00 0.45 C ATOM 607 CG PHE A 35 2.698 5.174 7.470 1.00 0.41 C ATOM 608 CD1 PHE A 35 3.006 5.237 8.840 1.00 1.49 C ATOM 609 CD2 PHE A 35 3.401 4.278 6.643 1.00 1.33 C ATOM 610 CE1 PHE A 35 3.988 4.393 9.380 1.00 1.45 C ATOM 611 CE2 PHE A 35 4.344 3.399 7.186 1.00 1.38 C ATOM 612 CZ PHE A 35 4.657 3.477 8.553 1.00 0.43 C ATOM 0 H PHE A 35 0.503 7.881 5.551 1.00 0.42 H new ATOM 0 HA PHE A 35 2.084 7.884 8.011 1.00 0.44 H new ATOM 0 HB2 PHE A 35 0.708 5.923 7.363 1.00 0.45 H new ATOM 0 HB3 PHE A 35 1.533 5.845 5.819 1.00 0.45 H new ATOM 0 HD1 PHE A 35 2.486 5.936 9.478 1.00 1.49 H new ATOM 0 HD2 PHE A 35 3.211 4.269 5.580 1.00 1.33 H new ATOM 0 HE1 PHE A 35 4.229 4.448 10.431 1.00 1.45 H new ATOM 0 HE2 PHE A 35 4.828 2.665 6.558 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.415 2.830 8.969 1.00 0.43 H new ATOM 622 N LEU A 36 3.278 8.486 5.084 1.00 0.35 N ATOM 623 CA LEU A 36 4.463 8.721 4.281 1.00 0.33 C ATOM 624 C LEU A 36 5.564 9.282 5.168 1.00 0.36 C ATOM 625 O LEU A 36 6.433 8.535 5.577 1.00 0.58 O ATOM 626 CB LEU A 36 4.167 9.653 3.097 1.00 0.32 C ATOM 627 CG LEU A 36 3.685 8.973 1.811 1.00 0.41 C ATOM 628 CD1 LEU A 36 3.564 10.030 0.706 1.00 0.99 C ATOM 629 CD2 LEU A 36 4.626 7.849 1.394 1.00 0.60 C ATOM 0 H LEU A 36 2.426 8.862 4.669 1.00 0.35 H new ATOM 0 HA LEU A 36 4.796 7.774 3.856 1.00 0.33 H new ATOM 0 HB2 LEU A 36 3.411 10.374 3.408 1.00 0.32 H new ATOM 0 HB3 LEU A 36 5.072 10.217 2.869 1.00 0.32 H new ATOM 0 HG LEU A 36 2.709 8.521 1.988 1.00 0.41 H new ATOM 0 HD11 LEU A 36 3.222 9.557 -0.214 1.00 0.99 H new ATOM 0 HD12 LEU A 36 2.848 10.794 1.010 1.00 0.99 H new ATOM 0 HD13 LEU A 36 4.537 10.492 0.536 1.00 0.99 H new ATOM 0 HD21 LEU A 36 4.257 7.386 0.479 1.00 0.60 H new ATOM 0 HD22 LEU A 36 5.622 8.255 1.219 1.00 0.60 H new ATOM 0 HD23 LEU A 36 4.672 7.101 2.185 1.00 0.60 H new ATOM 641 N GLU A 37 5.502 10.559 5.540 1.00 0.61 N ATOM 642 CA GLU A 37 6.507 11.158 6.426 1.00 0.74 C ATOM 643 C GLU A 37 6.518 10.525 7.829 1.00 0.75 C ATOM 644 O GLU A 37 7.380 10.828 8.649 1.00 1.22 O ATOM 645 CB GLU A 37 6.228 12.665 6.526 1.00 0.87 C ATOM 646 CG GLU A 37 6.627 13.422 5.247 1.00 1.42 C ATOM 647 CD GLU A 37 7.783 14.407 5.461 1.00 2.37 C ATOM 648 OE1 GLU A 37 7.705 15.188 6.436 1.00 2.96 O ATOM 649 OE2 GLU A 37 8.695 14.418 4.606 1.00 3.48 O ATOM 0 H GLU A 37 4.768 11.202 5.243 1.00 0.61 H new ATOM 0 HA GLU A 37 7.492 10.972 5.998 1.00 0.74 H new ATOM 0 HB2 GLU A 37 5.168 12.823 6.723 1.00 0.87 H new ATOM 0 HB3 GLU A 37 6.774 13.077 7.374 1.00 0.87 H new ATOM 0 HG2 GLU A 37 6.910 12.701 4.480 1.00 1.42 H new ATOM 0 HG3 GLU A 37 5.761 13.965 4.870 1.00 1.42 H new ATOM 656 N GLU A 38 5.554 9.655 8.132 1.00 0.61 N ATOM 657 CA GLU A 38 5.435 8.934 9.387 1.00 0.65 C ATOM 658 C GLU A 38 6.004 7.502 9.267 1.00 0.62 C ATOM 659 O GLU A 38 5.850 6.721 10.206 1.00 0.81 O ATOM 660 CB GLU A 38 3.947 8.974 9.812 1.00 0.89 C ATOM 661 CG GLU A 38 3.736 9.381 11.280 1.00 1.05 C ATOM 662 CD GLU A 38 2.314 9.907 11.568 1.00 1.75 C ATOM 663 OE1 GLU A 38 1.998 11.058 11.183 1.00 3.15 O ATOM 664 OE2 GLU A 38 1.510 9.194 12.209 1.00 2.19 O ATOM 0 H GLU A 38 4.806 9.428 7.477 1.00 0.61 H new ATOM 0 HA GLU A 38 6.032 9.406 10.167 1.00 0.65 H new ATOM 0 HB2 GLU A 38 3.413 9.674 9.169 1.00 0.89 H new ATOM 0 HB3 GLU A 38 3.505 7.991 9.649 1.00 0.89 H new ATOM 0 HG2 GLU A 38 3.935 8.522 11.920 1.00 1.05 H new ATOM 0 HG3 GLU A 38 4.461 10.150 11.545 1.00 1.05 H new ATOM 671 N HIS A 39 6.652 7.148 8.141 1.00 0.58 N ATOM 672 CA HIS A 39 7.199 5.826 7.834 1.00 0.62 C ATOM 673 C HIS A 39 8.656 5.819 8.275 1.00 0.63 C ATOM 674 O HIS A 39 9.472 6.512 7.671 1.00 0.95 O ATOM 675 CB HIS A 39 7.066 5.480 6.341 1.00 0.74 C ATOM 676 CG HIS A 39 7.643 4.146 5.875 1.00 0.66 C ATOM 677 ND1 HIS A 39 8.364 3.989 4.721 1.00 0.82 N ATOM 678 CD2 HIS A 39 7.483 2.890 6.412 1.00 0.62 C ATOM 679 CE1 HIS A 39 8.632 2.689 4.549 1.00 0.82 C ATOM 680 NE2 HIS A 39 8.084 1.968 5.533 1.00 0.63 N ATOM 0 H HIS A 39 6.813 7.815 7.387 1.00 0.58 H new ATOM 0 HA HIS A 39 6.635 5.061 8.368 1.00 0.62 H new ATOM 0 HB2 HIS A 39 6.007 5.497 6.084 1.00 0.74 H new ATOM 0 HB3 HIS A 39 7.546 6.273 5.767 1.00 0.74 H new ATOM 0 HD1 HIS A 39 8.650 4.741 4.094 1.00 0.82 H new ATOM 0 HD2 HIS A 39 6.986 2.653 7.341 1.00 0.62 H new ATOM 0 HE1 HIS A 39 9.209 2.281 3.732 1.00 0.82 H new ATOM 688 N PRO A 40 8.993 5.085 9.344 1.00 0.71 N ATOM 689 CA PRO A 40 10.330 5.060 9.898 1.00 0.71 C ATOM 690 C PRO A 40 11.263 4.272 8.976 1.00 0.95 C ATOM 691 O PRO A 40 11.512 3.090 9.194 1.00 1.84 O ATOM 692 CB PRO A 40 10.177 4.453 11.298 1.00 1.15 C ATOM 693 CG PRO A 40 8.862 3.675 11.268 1.00 1.59 C ATOM 694 CD PRO A 40 8.085 4.226 10.080 1.00 1.24 C ATOM 0 HA PRO A 40 10.787 6.046 9.978 1.00 0.71 H new ATOM 0 HB2 PRO A 40 11.015 3.797 11.534 1.00 1.15 H new ATOM 0 HB3 PRO A 40 10.155 5.230 12.062 1.00 1.15 H new ATOM 0 HG2 PRO A 40 9.042 2.606 11.156 1.00 1.59 H new ATOM 0 HG3 PRO A 40 8.306 3.809 12.196 1.00 1.59 H new ATOM 0 HD2 PRO A 40 7.721 3.416 9.447 1.00 1.24 H new ATOM 0 HD3 PRO A 40 7.212 4.785 10.416 1.00 1.24 H new ATOM 702 N GLY A 41 11.785 4.911 7.927 1.00 0.61 N ATOM 703 CA GLY A 41 12.665 4.240 6.990 1.00 1.10 C ATOM 704 C GLY A 41 12.843 5.039 5.709 1.00 0.70 C ATOM 705 O GLY A 41 13.950 5.453 5.381 1.00 0.97 O ATOM 0 H GLY A 41 11.609 5.892 7.712 1.00 0.61 H new ATOM 0 HA2 GLY A 41 13.637 4.079 7.456 1.00 1.10 H new ATOM 0 HA3 GLY A 41 12.260 3.257 6.751 1.00 1.10 H new ATOM 709 N GLY A 42 11.752 5.225 4.968 1.00 0.52 N ATOM 710 CA GLY A 42 11.732 5.985 3.729 1.00 0.70 C ATOM 711 C GLY A 42 10.326 6.531 3.511 1.00 0.52 C ATOM 712 O GLY A 42 9.513 6.483 4.417 1.00 1.17 O ATOM 0 H GLY A 42 10.841 4.842 5.221 1.00 0.52 H new ATOM 0 HA2 GLY A 42 12.451 6.803 3.776 1.00 0.70 H new ATOM 0 HA3 GLY A 42 12.025 5.351 2.892 1.00 0.70 H new ATOM 716 N GLU A 43 10.018 7.001 2.304 1.00 0.84 N ATOM 717 CA GLU A 43 8.745 7.607 1.914 1.00 0.61 C ATOM 718 C GLU A 43 8.585 7.524 0.415 1.00 0.55 C ATOM 719 O GLU A 43 7.557 7.122 -0.123 1.00 0.52 O ATOM 720 CB GLU A 43 8.790 9.107 2.201 1.00 0.79 C ATOM 721 CG GLU A 43 8.403 9.382 3.639 1.00 2.08 C ATOM 722 CD GLU A 43 9.555 9.866 4.521 1.00 3.18 C ATOM 723 OE1 GLU A 43 10.463 10.528 3.971 1.00 3.40 O ATOM 724 OE2 GLU A 43 9.514 9.581 5.736 1.00 4.73 O ATOM 0 H GLU A 43 10.683 6.968 1.531 1.00 0.84 H new ATOM 0 HA GLU A 43 7.949 7.093 2.454 1.00 0.61 H new ATOM 0 HB2 GLU A 43 9.792 9.491 2.008 1.00 0.79 H new ATOM 0 HB3 GLU A 43 8.112 9.633 1.529 1.00 0.79 H new ATOM 0 HG2 GLU A 43 7.611 10.131 3.653 1.00 2.08 H new ATOM 0 HG3 GLU A 43 7.988 8.472 4.071 1.00 2.08 H new ATOM 731 N GLU A 44 9.663 7.925 -0.241 1.00 0.58 N ATOM 732 CA GLU A 44 9.820 7.771 -1.687 1.00 0.59 C ATOM 733 C GLU A 44 9.539 6.344 -2.071 1.00 0.52 C ATOM 734 O GLU A 44 8.944 6.075 -3.106 1.00 0.53 O ATOM 735 CB GLU A 44 11.212 8.167 -2.195 1.00 0.70 C ATOM 736 CG GLU A 44 12.280 7.054 -2.333 1.00 1.95 C ATOM 737 CD GLU A 44 12.087 6.127 -3.544 1.00 3.07 C ATOM 738 OE1 GLU A 44 11.855 6.671 -4.645 1.00 3.33 O ATOM 739 OE2 GLU A 44 12.185 4.897 -3.336 1.00 4.66 O ATOM 0 H GLU A 44 10.461 8.370 0.214 1.00 0.58 H new ATOM 0 HA GLU A 44 9.107 8.451 -2.154 1.00 0.59 H new ATOM 0 HB2 GLU A 44 11.090 8.636 -3.172 1.00 0.70 H new ATOM 0 HB3 GLU A 44 11.608 8.928 -1.523 1.00 0.70 H new ATOM 0 HG2 GLU A 44 13.263 7.519 -2.401 1.00 1.95 H new ATOM 0 HG3 GLU A 44 12.275 6.450 -1.426 1.00 1.95 H new ATOM 746 N VAL A 45 9.935 5.433 -1.194 1.00 0.53 N ATOM 747 CA VAL A 45 9.702 4.058 -1.502 1.00 0.53 C ATOM 748 C VAL A 45 8.210 3.821 -1.498 1.00 0.49 C ATOM 749 O VAL A 45 7.767 3.065 -2.368 1.00 0.54 O ATOM 750 CB VAL A 45 10.350 3.096 -0.530 1.00 0.63 C ATOM 751 CG1 VAL A 45 11.785 2.708 -0.891 1.00 1.10 C ATOM 752 CG2 VAL A 45 10.263 3.537 0.930 1.00 0.93 C ATOM 0 H VAL A 45 10.398 5.622 -0.305 1.00 0.53 H new ATOM 0 HA VAL A 45 10.151 3.865 -2.476 1.00 0.53 H new ATOM 0 HB VAL A 45 9.743 2.197 -0.634 1.00 0.63 H new ATOM 0 HG11 VAL A 45 12.174 2.017 -0.143 1.00 1.10 H new ATOM 0 HG12 VAL A 45 11.797 2.228 -1.870 1.00 1.10 H new ATOM 0 HG13 VAL A 45 12.408 3.602 -0.917 1.00 1.10 H new ATOM 0 HG21 VAL A 45 10.750 2.796 1.564 1.00 0.93 H new ATOM 0 HG22 VAL A 45 10.761 4.499 1.050 1.00 0.93 H new ATOM 0 HG23 VAL A 45 9.216 3.631 1.220 1.00 0.93 H new ATOM 762 N LEU A 46 7.404 4.450 -0.601 1.00 0.46 N ATOM 763 CA LEU A 46 6.009 4.097 -0.828 1.00 0.46 C ATOM 764 C LEU A 46 5.508 4.632 -2.192 1.00 0.43 C ATOM 765 O LEU A 46 4.533 4.104 -2.716 1.00 0.47 O ATOM 766 CB LEU A 46 5.170 4.548 0.357 1.00 0.58 C ATOM 767 CG LEU A 46 5.896 4.483 1.721 1.00 0.55 C ATOM 768 CD1 LEU A 46 4.927 4.738 2.873 1.00 0.69 C ATOM 769 CD2 LEU A 46 6.742 3.230 1.992 1.00 0.48 C ATOM 0 H LEU A 46 7.646 5.091 0.154 1.00 0.46 H new ATOM 0 HA LEU A 46 5.908 3.014 -0.895 1.00 0.46 H new ATOM 0 HB2 LEU A 46 4.841 5.573 0.184 1.00 0.58 H new ATOM 0 HB3 LEU A 46 4.274 3.930 0.407 1.00 0.58 H new ATOM 0 HG LEU A 46 6.629 5.287 1.656 1.00 0.55 H new ATOM 0 HD11 LEU A 46 5.465 4.686 3.819 1.00 0.69 H new ATOM 0 HD12 LEU A 46 4.482 5.727 2.762 1.00 0.69 H new ATOM 0 HD13 LEU A 46 4.141 3.983 2.861 1.00 0.69 H new ATOM 0 HD21 LEU A 46 7.198 3.305 2.979 1.00 0.48 H new ATOM 0 HD22 LEU A 46 6.106 2.346 1.953 1.00 0.48 H new ATOM 0 HD23 LEU A 46 7.523 3.148 1.237 1.00 0.48 H new ATOM 781 N ARG A 47 6.192 5.617 -2.804 1.00 0.43 N ATOM 782 CA ARG A 47 5.894 6.143 -4.140 1.00 0.50 C ATOM 783 C ARG A 47 6.414 5.270 -5.278 1.00 0.51 C ATOM 784 O ARG A 47 5.771 5.231 -6.322 1.00 0.54 O ATOM 785 CB ARG A 47 6.432 7.571 -4.325 1.00 0.64 C ATOM 786 CG ARG A 47 5.876 8.483 -3.230 1.00 1.59 C ATOM 787 CD ARG A 47 6.027 9.967 -3.579 1.00 1.66 C ATOM 788 NE ARG A 47 7.227 10.570 -2.978 1.00 3.40 N ATOM 789 CZ ARG A 47 7.402 11.885 -2.790 1.00 4.37 C ATOM 790 NH1 ARG A 47 6.487 12.747 -3.236 1.00 4.40 N ATOM 791 NH2 ARG A 47 8.485 12.335 -2.154 1.00 6.12 N ATOM 0 H ARG A 47 6.989 6.079 -2.366 1.00 0.43 H new ATOM 0 HA ARG A 47 4.805 6.145 -4.195 1.00 0.50 H new ATOM 0 HB2 ARG A 47 7.521 7.566 -4.288 1.00 0.64 H new ATOM 0 HB3 ARG A 47 6.148 7.952 -5.306 1.00 0.64 H new ATOM 0 HG2 ARG A 47 4.822 8.255 -3.070 1.00 1.59 H new ATOM 0 HG3 ARG A 47 6.392 8.278 -2.292 1.00 1.59 H new ATOM 0 HD2 ARG A 47 6.072 10.079 -4.662 1.00 1.66 H new ATOM 0 HD3 ARG A 47 5.144 10.508 -3.239 1.00 1.66 H new ATOM 0 HE ARG A 47 7.977 9.944 -2.684 1.00 3.40 H new ATOM 0 HH11 ARG A 47 5.656 12.405 -3.719 1.00 4.40 H new ATOM 0 HH12 ARG A 47 6.618 13.749 -3.094 1.00 4.40 H new ATOM 0 HH21 ARG A 47 9.184 11.677 -1.809 1.00 6.12 H new ATOM 0 HH22 ARG A 47 8.614 13.337 -2.013 1.00 6.12 H new ATOM 805 N GLU A 48 7.529 4.558 -5.113 1.00 0.52 N ATOM 806 CA GLU A 48 8.082 3.782 -6.238 1.00 0.58 C ATOM 807 C GLU A 48 7.177 2.597 -6.560 1.00 0.54 C ATOM 808 O GLU A 48 7.116 2.135 -7.694 1.00 0.64 O ATOM 809 CB GLU A 48 9.510 3.303 -5.916 1.00 0.68 C ATOM 810 CG GLU A 48 10.587 4.052 -6.721 1.00 0.87 C ATOM 811 CD GLU A 48 11.107 3.242 -7.913 1.00 1.45 C ATOM 812 OE1 GLU A 48 10.434 3.273 -8.968 1.00 2.82 O ATOM 813 OE2 GLU A 48 12.179 2.612 -7.768 1.00 1.75 O ATOM 0 H GLU A 48 8.058 4.498 -4.243 1.00 0.52 H new ATOM 0 HA GLU A 48 8.129 4.429 -7.114 1.00 0.58 H new ATOM 0 HB2 GLU A 48 9.701 3.436 -4.851 1.00 0.68 H new ATOM 0 HB3 GLU A 48 9.585 2.235 -6.123 1.00 0.68 H new ATOM 0 HG2 GLU A 48 10.175 4.995 -7.080 1.00 0.87 H new ATOM 0 HG3 GLU A 48 11.421 4.298 -6.063 1.00 0.87 H new ATOM 820 N GLN A 49 6.422 2.139 -5.562 1.00 0.47 N ATOM 821 CA GLN A 49 5.506 1.021 -5.701 1.00 0.45 C ATOM 822 C GLN A 49 4.063 1.490 -5.513 1.00 0.40 C ATOM 823 O GLN A 49 3.142 0.682 -5.405 1.00 0.40 O ATOM 824 CB GLN A 49 5.875 -0.031 -4.660 1.00 0.47 C ATOM 825 CG GLN A 49 7.349 -0.461 -4.681 1.00 0.45 C ATOM 826 CD GLN A 49 7.745 -1.256 -5.925 1.00 0.90 C ATOM 827 OE1 GLN A 49 7.075 -1.230 -6.950 1.00 1.64 O ATOM 828 NE2 GLN A 49 8.852 -1.984 -5.868 1.00 1.09 N ATOM 0 H GLN A 49 6.434 2.543 -4.625 1.00 0.47 H new ATOM 0 HA GLN A 49 5.585 0.592 -6.700 1.00 0.45 H new ATOM 0 HB2 GLN A 49 5.638 0.358 -3.670 1.00 0.47 H new ATOM 0 HB3 GLN A 49 5.251 -0.911 -4.815 1.00 0.47 H new ATOM 0 HG2 GLN A 49 7.977 0.427 -4.614 1.00 0.45 H new ATOM 0 HG3 GLN A 49 7.554 -1.064 -3.796 1.00 0.45 H new ATOM 0 HE21 GLN A 49 9.407 -2.003 -5.012 1.00 1.09 H new ATOM 0 HE22 GLN A 49 9.149 -2.525 -6.680 1.00 1.09 H new ATOM 837 N ALA A 50 3.859 2.803 -5.427 1.00 0.41 N ATOM 838 CA ALA A 50 2.534 3.368 -5.269 1.00 0.40 C ATOM 839 C ALA A 50 1.638 2.953 -6.427 1.00 0.36 C ATOM 840 O ALA A 50 2.074 2.849 -7.571 1.00 0.43 O ATOM 841 CB ALA A 50 2.599 4.888 -5.170 1.00 0.49 C ATOM 0 H ALA A 50 4.607 3.496 -5.465 1.00 0.41 H new ATOM 0 HA ALA A 50 2.110 2.983 -4.342 1.00 0.40 H new ATOM 0 HB1 ALA A 50 1.592 5.288 -5.052 1.00 0.49 H new ATOM 0 HB2 ALA A 50 3.205 5.171 -4.309 1.00 0.49 H new ATOM 0 HB3 ALA A 50 3.046 5.293 -6.078 1.00 0.49 H new ATOM 847 N GLY A 51 0.362 2.724 -6.126 1.00 0.33 N ATOM 848 CA GLY A 51 -0.608 2.192 -7.063 1.00 0.36 C ATOM 849 C GLY A 51 -0.157 0.872 -7.694 1.00 0.41 C ATOM 850 O GLY A 51 -0.672 0.498 -8.744 1.00 0.53 O ATOM 0 H GLY A 51 -0.029 2.909 -5.202 1.00 0.33 H new ATOM 0 HA2 GLY A 51 -1.557 2.039 -6.549 1.00 0.36 H new ATOM 0 HA3 GLY A 51 -0.786 2.924 -7.850 1.00 0.36 H new ATOM 854 N GLY A 52 0.809 0.175 -7.092 1.00 0.39 N ATOM 855 CA GLY A 52 1.511 -0.936 -7.700 1.00 0.42 C ATOM 856 C GLY A 52 1.874 -1.951 -6.629 1.00 0.39 C ATOM 857 O GLY A 52 1.507 -1.789 -5.466 1.00 0.41 O ATOM 0 H GLY A 52 1.126 0.380 -6.144 1.00 0.39 H new ATOM 0 HA2 GLY A 52 0.886 -1.402 -8.462 1.00 0.42 H new ATOM 0 HA3 GLY A 52 2.412 -0.581 -8.200 1.00 0.42 H new ATOM 861 N ASP A 53 2.550 -3.032 -7.017 1.00 0.43 N ATOM 862 CA ASP A 53 2.865 -4.085 -6.066 1.00 0.42 C ATOM 863 C ASP A 53 4.103 -3.713 -5.277 1.00 0.41 C ATOM 864 O ASP A 53 5.201 -3.656 -5.821 1.00 0.65 O ATOM 865 CB ASP A 53 3.044 -5.448 -6.721 1.00 0.54 C ATOM 866 CG ASP A 53 2.972 -6.492 -5.603 1.00 2.26 C ATOM 867 OD1 ASP A 53 3.929 -6.562 -4.794 1.00 3.76 O ATOM 868 OD2 ASP A 53 1.899 -7.123 -5.491 1.00 3.14 O ATOM 0 H ASP A 53 2.883 -3.196 -7.967 1.00 0.43 H new ATOM 0 HA ASP A 53 2.010 -4.174 -5.395 1.00 0.42 H new ATOM 0 HB2 ASP A 53 2.267 -5.624 -7.464 1.00 0.54 H new ATOM 0 HB3 ASP A 53 4.001 -5.504 -7.241 1.00 0.54 H new ATOM 873 N ALA A 54 3.919 -3.445 -3.987 1.00 0.40 N ATOM 874 CA ALA A 54 5.032 -3.185 -3.104 1.00 0.39 C ATOM 875 C ALA A 54 5.260 -4.361 -2.169 1.00 0.48 C ATOM 876 O ALA A 54 6.191 -4.323 -1.368 1.00 0.53 O ATOM 877 CB ALA A 54 4.733 -1.924 -2.302 1.00 0.38 C ATOM 0 H ALA A 54 3.004 -3.404 -3.537 1.00 0.40 H new ATOM 0 HA ALA A 54 5.939 -3.045 -3.693 1.00 0.39 H new ATOM 0 HB1 ALA A 54 5.565 -1.714 -1.630 1.00 0.38 H new ATOM 0 HB2 ALA A 54 4.596 -1.084 -2.983 1.00 0.38 H new ATOM 0 HB3 ALA A 54 3.824 -2.071 -1.719 1.00 0.38 H new ATOM 883 N THR A 55 4.406 -5.386 -2.235 1.00 0.57 N ATOM 884 CA THR A 55 4.528 -6.540 -1.373 1.00 0.69 C ATOM 885 C THR A 55 5.876 -7.181 -1.578 1.00 0.66 C ATOM 886 O THR A 55 6.485 -7.583 -0.598 1.00 0.67 O ATOM 887 CB THR A 55 3.367 -7.511 -1.616 1.00 0.92 C ATOM 888 OG1 THR A 55 2.801 -7.910 -0.394 1.00 2.02 O ATOM 889 CG2 THR A 55 3.789 -8.811 -2.277 1.00 1.01 C ATOM 0 H THR A 55 3.621 -5.429 -2.885 1.00 0.57 H new ATOM 0 HA THR A 55 4.466 -6.235 -0.329 1.00 0.69 H new ATOM 0 HB THR A 55 2.681 -6.961 -2.260 1.00 0.92 H new ATOM 0 HG1 THR A 55 3.509 -8.012 0.276 1.00 2.02 H new ATOM 0 HG21 THR A 55 2.916 -9.448 -2.417 1.00 1.01 H new ATOM 0 HG22 THR A 55 4.241 -8.597 -3.245 1.00 1.01 H new ATOM 0 HG23 THR A 55 4.513 -9.323 -1.643 1.00 1.01 H new ATOM 897 N GLU A 56 6.362 -7.251 -2.817 1.00 0.69 N ATOM 898 CA GLU A 56 7.651 -7.875 -3.060 1.00 0.77 C ATOM 899 C GLU A 56 8.722 -7.190 -2.211 1.00 0.67 C ATOM 900 O GLU A 56 9.531 -7.874 -1.605 1.00 0.83 O ATOM 901 CB GLU A 56 7.983 -7.806 -4.553 1.00 0.89 C ATOM 902 CG GLU A 56 7.143 -8.808 -5.363 1.00 1.89 C ATOM 903 CD GLU A 56 7.992 -9.922 -5.982 1.00 2.81 C ATOM 904 OE1 GLU A 56 8.815 -9.592 -6.866 1.00 2.97 O ATOM 905 OE2 GLU A 56 7.778 -11.094 -5.597 1.00 4.11 O ATOM 0 H GLU A 56 5.891 -6.891 -3.647 1.00 0.69 H new ATOM 0 HA GLU A 56 7.617 -8.926 -2.772 1.00 0.77 H new ATOM 0 HB2 GLU A 56 7.802 -6.796 -4.921 1.00 0.89 H new ATOM 0 HB3 GLU A 56 9.043 -8.014 -4.701 1.00 0.89 H new ATOM 0 HG2 GLU A 56 6.387 -9.250 -4.715 1.00 1.89 H new ATOM 0 HG3 GLU A 56 6.614 -8.277 -6.154 1.00 1.89 H new ATOM 912 N ASN A 57 8.686 -5.859 -2.080 1.00 0.57 N ATOM 913 CA ASN A 57 9.640 -5.125 -1.252 1.00 0.53 C ATOM 914 C ASN A 57 9.338 -5.349 0.212 1.00 0.47 C ATOM 915 O ASN A 57 10.154 -5.925 0.931 1.00 0.58 O ATOM 916 CB ASN A 57 9.559 -3.615 -1.507 1.00 0.55 C ATOM 917 CG ASN A 57 10.631 -3.140 -2.461 1.00 0.88 C ATOM 918 OD1 ASN A 57 10.413 -3.052 -3.661 1.00 1.96 O ATOM 919 ND2 ASN A 57 11.796 -2.791 -1.933 1.00 1.81 N ATOM 0 H ASN A 57 7.997 -5.266 -2.544 1.00 0.57 H new ATOM 0 HA ASN A 57 10.633 -5.491 -1.510 1.00 0.53 H new ATOM 0 HB2 ASN A 57 8.578 -3.369 -1.913 1.00 0.55 H new ATOM 0 HB3 ASN A 57 9.655 -3.083 -0.561 1.00 0.55 H new ATOM 0 HD21 ASN A 57 12.542 -2.437 -2.532 1.00 1.81 H new ATOM 0 HD22 ASN A 57 11.946 -2.876 -0.928 1.00 1.81 H new ATOM 926 N PHE A 58 8.191 -4.816 0.652 1.00 0.58 N ATOM 927 CA PHE A 58 7.758 -5.137 2.070 1.00 0.61 C ATOM 928 C PHE A 58 8.137 -6.550 2.616 1.00 0.67 C ATOM 929 O PHE A 58 8.595 -6.648 3.759 1.00 0.70 O ATOM 930 CB PHE A 58 6.247 -4.955 2.260 1.00 0.79 C ATOM 931 CG PHE A 58 5.715 -5.082 3.692 1.00 0.89 C ATOM 932 CD1 PHE A 58 5.920 -4.044 4.619 1.00 2.00 C ATOM 933 CD2 PHE A 58 4.931 -6.190 4.082 1.00 1.63 C ATOM 934 CE1 PHE A 58 5.366 -4.103 5.911 1.00 2.13 C ATOM 935 CE2 PHE A 58 4.366 -6.247 5.372 1.00 1.81 C ATOM 936 CZ PHE A 58 4.585 -5.205 6.289 1.00 1.39 C ATOM 0 H PHE A 58 7.571 -4.206 0.119 1.00 0.58 H new ATOM 0 HA PHE A 58 8.333 -4.415 2.650 1.00 0.61 H new ATOM 0 HB2 PHE A 58 5.972 -3.971 1.880 1.00 0.79 H new ATOM 0 HB3 PHE A 58 5.735 -5.690 1.640 1.00 0.79 H new ATOM 0 HD1 PHE A 58 6.513 -3.187 4.334 1.00 2.00 H new ATOM 0 HD2 PHE A 58 4.763 -6.999 3.387 1.00 1.63 H new ATOM 0 HE1 PHE A 58 5.542 -3.300 6.611 1.00 2.13 H new ATOM 0 HE2 PHE A 58 3.762 -7.096 5.657 1.00 1.81 H new ATOM 0 HZ PHE A 58 4.155 -5.252 7.278 1.00 1.39 H new ATOM 946 N GLU A 59 7.949 -7.635 1.851 1.00 0.81 N ATOM 947 CA GLU A 59 8.207 -9.024 2.263 1.00 1.05 C ATOM 948 C GLU A 59 9.672 -9.408 2.079 1.00 1.02 C ATOM 949 O GLU A 59 10.237 -10.027 2.975 1.00 1.12 O ATOM 950 CB GLU A 59 7.380 -10.012 1.425 1.00 1.35 C ATOM 951 CG GLU A 59 6.003 -10.330 2.017 1.00 1.73 C ATOM 952 CD GLU A 59 6.011 -11.515 2.995 1.00 2.14 C ATOM 953 OE1 GLU A 59 6.637 -11.383 4.071 1.00 3.00 O ATOM 954 OE2 GLU A 59 5.357 -12.539 2.679 1.00 2.68 O ATOM 0 H GLU A 59 7.601 -7.568 0.895 1.00 0.81 H new ATOM 0 HA GLU A 59 7.932 -9.079 3.316 1.00 1.05 H new ATOM 0 HB2 GLU A 59 7.248 -9.602 0.424 1.00 1.35 H new ATOM 0 HB3 GLU A 59 7.941 -10.940 1.318 1.00 1.35 H new ATOM 0 HG2 GLU A 59 5.626 -9.447 2.533 1.00 1.73 H new ATOM 0 HG3 GLU A 59 5.309 -10.545 1.205 1.00 1.73 H new ATOM 961 N ASP A 60 10.283 -9.066 0.937 1.00 1.04 N ATOM 962 CA ASP A 60 11.672 -9.412 0.627 1.00 1.27 C ATOM 963 C ASP A 60 12.540 -8.960 1.780 1.00 1.16 C ATOM 964 O ASP A 60 13.428 -9.677 2.239 1.00 1.37 O ATOM 965 CB ASP A 60 12.189 -8.667 -0.620 1.00 1.34 C ATOM 966 CG ASP A 60 12.067 -9.426 -1.940 1.00 2.27 C ATOM 967 OD1 ASP A 60 11.855 -10.658 -1.886 1.00 3.72 O ATOM 968 OD2 ASP A 60 12.297 -8.774 -2.984 1.00 2.49 O ATOM 0 H ASP A 60 9.821 -8.537 0.197 1.00 1.04 H new ATOM 0 HA ASP A 60 11.713 -10.487 0.452 1.00 1.27 H new ATOM 0 HB2 ASP A 60 11.645 -7.727 -0.711 1.00 1.34 H new ATOM 0 HB3 ASP A 60 13.238 -8.415 -0.462 1.00 1.34 H new ATOM 973 N VAL A 61 12.291 -7.728 2.222 1.00 0.86 N ATOM 974 CA VAL A 61 13.070 -7.164 3.296 1.00 0.86 C ATOM 975 C VAL A 61 12.692 -7.796 4.621 1.00 0.62 C ATOM 976 O VAL A 61 13.571 -8.001 5.455 1.00 0.78 O ATOM 977 CB VAL A 61 12.996 -5.630 3.241 1.00 1.03 C ATOM 978 CG1 VAL A 61 11.788 -5.091 4.006 1.00 1.62 C ATOM 979 CG2 VAL A 61 14.280 -4.977 3.750 1.00 2.34 C ATOM 0 H VAL A 61 11.563 -7.117 1.851 1.00 0.86 H new ATOM 0 HA VAL A 61 14.127 -7.404 3.178 1.00 0.86 H new ATOM 0 HB VAL A 61 12.878 -5.366 2.190 1.00 1.03 H new ATOM 0 HG11 VAL A 61 11.773 -4.003 3.942 1.00 1.62 H new ATOM 0 HG12 VAL A 61 10.873 -5.493 3.571 1.00 1.62 H new ATOM 0 HG13 VAL A 61 11.855 -5.392 5.051 1.00 1.62 H new ATOM 0 HG21 VAL A 61 14.184 -3.893 3.693 1.00 2.34 H new ATOM 0 HG22 VAL A 61 14.453 -5.272 4.785 1.00 2.34 H new ATOM 0 HG23 VAL A 61 15.121 -5.299 3.135 1.00 2.34 H new ATOM 989 N GLY A 62 11.425 -8.177 4.807 1.00 0.53 N ATOM 990 CA GLY A 62 11.095 -9.004 5.945 1.00 0.71 C ATOM 991 C GLY A 62 11.011 -8.070 7.130 1.00 0.91 C ATOM 992 O GLY A 62 11.761 -8.207 8.093 1.00 1.98 O ATOM 0 H GLY A 62 10.642 -7.931 4.201 1.00 0.53 H new ATOM 0 HA2 GLY A 62 10.149 -9.522 5.789 1.00 0.71 H new ATOM 0 HA3 GLY A 62 11.855 -9.769 6.105 1.00 0.71 H new ATOM 996 N HIS A 63 10.118 -7.083 6.992 1.00 0.53 N ATOM 997 CA HIS A 63 9.975 -5.932 7.862 1.00 0.78 C ATOM 998 C HIS A 63 10.052 -6.334 9.334 1.00 1.26 C ATOM 999 O HIS A 63 11.076 -6.123 9.981 1.00 3.13 O ATOM 1000 CB HIS A 63 8.650 -5.220 7.527 1.00 0.86 C ATOM 1001 CG HIS A 63 8.759 -4.026 6.626 1.00 0.69 C ATOM 1002 ND1 HIS A 63 9.147 -4.039 5.315 1.00 0.69 N ATOM 1003 CD2 HIS A 63 8.401 -2.749 6.962 1.00 0.60 C ATOM 1004 CE1 HIS A 63 9.062 -2.775 4.862 1.00 0.58 C ATOM 1005 NE2 HIS A 63 8.587 -1.959 5.824 1.00 0.52 N ATOM 0 H HIS A 63 9.444 -7.075 6.226 1.00 0.53 H new ATOM 0 HA HIS A 63 10.801 -5.241 7.692 1.00 0.78 H new ATOM 0 HB2 HIS A 63 7.979 -5.942 7.062 1.00 0.86 H new ATOM 0 HB3 HIS A 63 8.183 -4.906 8.460 1.00 0.86 H new ATOM 0 HD1 HIS A 63 9.445 -4.855 4.780 1.00 0.69 H new ATOM 0 HD2 HIS A 63 8.043 -2.415 7.924 1.00 0.60 H new ATOM 0 HE1 HIS A 63 9.336 -2.458 3.867 1.00 0.58 H new ATOM 1013 N SER A 64 8.954 -6.889 9.854 1.00 0.62 N ATOM 1014 CA SER A 64 8.743 -7.218 11.258 1.00 0.56 C ATOM 1015 C SER A 64 7.253 -7.500 11.481 1.00 0.58 C ATOM 1016 O SER A 64 6.423 -7.288 10.595 1.00 0.75 O ATOM 1017 CB SER A 64 9.257 -6.102 12.191 1.00 0.69 C ATOM 1018 OG SER A 64 9.112 -4.811 11.639 1.00 1.97 O ATOM 0 H SER A 64 8.150 -7.131 9.274 1.00 0.62 H new ATOM 0 HA SER A 64 9.319 -8.110 11.506 1.00 0.56 H new ATOM 0 HB2 SER A 64 8.717 -6.149 13.137 1.00 0.69 H new ATOM 0 HB3 SER A 64 10.309 -6.279 12.415 1.00 0.69 H new ATOM 0 HG SER A 64 9.452 -4.144 12.272 1.00 1.97 H new ATOM 1024 N THR A 65 6.903 -7.994 12.671 1.00 0.64 N ATOM 1025 CA THR A 65 5.539 -8.345 13.017 1.00 0.76 C ATOM 1026 C THR A 65 4.734 -7.083 13.335 1.00 0.71 C ATOM 1027 O THR A 65 3.651 -6.893 12.790 1.00 0.73 O ATOM 1028 CB THR A 65 5.614 -9.314 14.199 1.00 0.97 C ATOM 1029 OG1 THR A 65 6.237 -10.509 13.769 1.00 1.13 O ATOM 1030 CG2 THR A 65 4.246 -9.675 14.756 1.00 1.14 C ATOM 0 H THR A 65 7.571 -8.160 13.423 1.00 0.64 H new ATOM 0 HA THR A 65 5.021 -8.829 12.189 1.00 0.76 H new ATOM 0 HB THR A 65 6.178 -8.816 14.987 1.00 0.97 H new ATOM 0 HG1 THR A 65 6.292 -11.137 14.519 1.00 1.13 H new ATOM 0 HG21 THR A 65 4.364 -10.365 15.592 1.00 1.14 H new ATOM 0 HG22 THR A 65 3.743 -8.771 15.100 1.00 1.14 H new ATOM 0 HG23 THR A 65 3.649 -10.148 13.976 1.00 1.14 H new ATOM 1038 N ASP A 66 5.277 -6.186 14.164 1.00 0.74 N ATOM 1039 CA ASP A 66 4.621 -4.922 14.509 1.00 0.80 C ATOM 1040 C ASP A 66 4.361 -4.095 13.246 1.00 0.67 C ATOM 1041 O ASP A 66 3.360 -3.392 13.127 1.00 0.70 O ATOM 1042 CB ASP A 66 5.514 -4.128 15.478 1.00 0.99 C ATOM 1043 CG ASP A 66 5.027 -4.233 16.920 1.00 1.65 C ATOM 1044 OD1 ASP A 66 5.344 -5.271 17.541 1.00 2.66 O ATOM 1045 OD2 ASP A 66 4.374 -3.269 17.373 1.00 2.61 O ATOM 0 H ASP A 66 6.183 -6.316 14.614 1.00 0.74 H new ATOM 0 HA ASP A 66 3.666 -5.137 14.988 1.00 0.80 H new ATOM 0 HB2 ASP A 66 6.537 -4.497 15.413 1.00 0.99 H new ATOM 0 HB3 ASP A 66 5.534 -3.080 15.177 1.00 0.99 H new ATOM 1050 N ALA A 67 5.241 -4.221 12.252 1.00 0.57 N ATOM 1051 CA ALA A 67 5.027 -3.605 10.954 1.00 0.51 C ATOM 1052 C ALA A 67 3.800 -4.226 10.298 1.00 0.48 C ATOM 1053 O ALA A 67 2.917 -3.510 9.826 1.00 0.56 O ATOM 1054 CB ALA A 67 6.267 -3.786 10.075 1.00 0.57 C ATOM 0 H ALA A 67 6.111 -4.748 12.328 1.00 0.57 H new ATOM 0 HA ALA A 67 4.856 -2.536 11.079 1.00 0.51 H new ATOM 0 HB1 ALA A 67 6.096 -3.321 9.104 1.00 0.57 H new ATOM 0 HB2 ALA A 67 7.126 -3.317 10.556 1.00 0.57 H new ATOM 0 HB3 ALA A 67 6.464 -4.849 9.938 1.00 0.57 H new ATOM 1060 N ARG A 68 3.716 -5.562 10.297 1.00 0.45 N ATOM 1061 CA ARG A 68 2.532 -6.237 9.785 1.00 0.50 C ATOM 1062 C ARG A 68 1.250 -5.711 10.485 1.00 0.56 C ATOM 1063 O ARG A 68 0.186 -5.735 9.867 1.00 0.63 O ATOM 1064 CB ARG A 68 2.660 -7.754 9.945 1.00 0.62 C ATOM 1065 CG ARG A 68 2.622 -8.432 8.569 1.00 1.08 C ATOM 1066 CD ARG A 68 3.389 -9.748 8.635 1.00 1.86 C ATOM 1067 NE ARG A 68 2.876 -10.723 7.667 1.00 2.23 N ATOM 1068 CZ ARG A 68 3.503 -11.855 7.329 1.00 2.82 C ATOM 1069 NH1 ARG A 68 4.710 -12.121 7.827 1.00 3.55 N ATOM 1070 NH2 ARG A 68 2.913 -12.721 6.506 1.00 3.24 N ATOM 0 H ARG A 68 4.447 -6.184 10.642 1.00 0.45 H new ATOM 0 HA ARG A 68 2.449 -6.016 8.721 1.00 0.50 H new ATOM 0 HB2 ARG A 68 3.593 -7.997 10.454 1.00 0.62 H new ATOM 0 HB3 ARG A 68 1.850 -8.132 10.568 1.00 0.62 H new ATOM 0 HG2 ARG A 68 1.590 -8.614 8.269 1.00 1.08 H new ATOM 0 HG3 ARG A 68 3.063 -7.778 7.816 1.00 1.08 H new ATOM 0 HD2 ARG A 68 4.446 -9.564 8.441 1.00 1.86 H new ATOM 0 HD3 ARG A 68 3.317 -10.161 9.641 1.00 1.86 H new ATOM 0 HE ARG A 68 1.980 -10.524 7.221 1.00 2.23 H new ATOM 0 HH11 ARG A 68 5.155 -11.462 8.465 1.00 3.55 H new ATOM 0 HH12 ARG A 68 5.189 -12.984 7.570 1.00 3.55 H new ATOM 0 HH21 ARG A 68 1.984 -12.520 6.135 1.00 3.24 H new ATOM 0 HH22 ARG A 68 3.390 -13.585 6.247 1.00 3.24 H new ATOM 1084 N GLU A 69 1.315 -5.220 11.734 1.00 0.58 N ATOM 1085 CA GLU A 69 0.140 -4.680 12.435 1.00 0.65 C ATOM 1086 C GLU A 69 -0.230 -3.278 11.985 1.00 0.59 C ATOM 1087 O GLU A 69 -1.411 -2.989 11.826 1.00 0.63 O ATOM 1088 CB GLU A 69 0.340 -4.614 13.954 1.00 0.85 C ATOM 1089 CG GLU A 69 0.172 -5.991 14.586 1.00 1.04 C ATOM 1090 CD GLU A 69 -0.343 -5.875 16.022 1.00 1.45 C ATOM 1091 OE1 GLU A 69 -1.538 -5.531 16.167 1.00 2.15 O ATOM 1092 OE2 GLU A 69 0.453 -6.144 16.947 1.00 2.67 O ATOM 0 H GLU A 69 2.175 -5.187 12.281 1.00 0.58 H new ATOM 0 HA GLU A 69 -0.658 -5.378 12.182 1.00 0.65 H new ATOM 0 HB2 GLU A 69 1.334 -4.226 14.177 1.00 0.85 H new ATOM 0 HB3 GLU A 69 -0.379 -3.920 14.389 1.00 0.85 H new ATOM 0 HG2 GLU A 69 -0.524 -6.585 13.993 1.00 1.04 H new ATOM 0 HG3 GLU A 69 1.127 -6.517 14.579 1.00 1.04 H new ATOM 1099 N LEU A 70 0.736 -2.387 11.771 1.00 0.59 N ATOM 1100 CA LEU A 70 0.452 -1.066 11.258 1.00 0.68 C ATOM 1101 C LEU A 70 -0.336 -1.153 9.954 1.00 0.56 C ATOM 1102 O LEU A 70 -1.221 -0.339 9.717 1.00 0.64 O ATOM 1103 CB LEU A 70 1.781 -0.346 11.044 1.00 0.86 C ATOM 1104 CG LEU A 70 2.147 0.590 12.188 1.00 0.71 C ATOM 1105 CD1 LEU A 70 3.638 0.934 12.117 1.00 2.15 C ATOM 1106 CD2 LEU A 70 1.291 1.831 12.014 1.00 1.33 C ATOM 0 H LEU A 70 1.724 -2.566 11.949 1.00 0.59 H new ATOM 0 HA LEU A 70 -0.160 -0.511 11.969 1.00 0.68 H new ATOM 0 HB2 LEU A 70 2.572 -1.086 10.921 1.00 0.86 H new ATOM 0 HB3 LEU A 70 1.732 0.225 10.117 1.00 0.86 H new ATOM 0 HG LEU A 70 1.967 0.134 13.161 1.00 0.71 H new ATOM 0 HD11 LEU A 70 3.896 1.604 12.937 1.00 2.15 H new ATOM 0 HD12 LEU A 70 4.226 0.020 12.196 1.00 2.15 H new ATOM 0 HD13 LEU A 70 3.854 1.423 11.167 1.00 2.15 H new ATOM 0 HD21 LEU A 70 1.513 2.541 12.811 1.00 1.33 H new ATOM 0 HD22 LEU A 70 1.507 2.290 11.049 1.00 1.33 H new ATOM 0 HD23 LEU A 70 0.237 1.555 12.057 1.00 1.33 H new ATOM 1118 N SER A 71 -0.082 -2.166 9.124 1.00 0.47 N ATOM 1119 CA SER A 71 -0.907 -2.416 7.949 1.00 0.56 C ATOM 1120 C SER A 71 -2.403 -2.503 8.301 1.00 0.58 C ATOM 1121 O SER A 71 -3.254 -2.003 7.568 1.00 0.72 O ATOM 1122 CB SER A 71 -0.428 -3.673 7.216 1.00 0.67 C ATOM 1123 OG SER A 71 0.835 -4.114 7.643 1.00 1.43 O ATOM 0 H SER A 71 0.688 -2.824 9.246 1.00 0.47 H new ATOM 0 HA SER A 71 -0.795 -1.565 7.278 1.00 0.56 H new ATOM 0 HB2 SER A 71 -1.154 -4.472 7.365 1.00 0.67 H new ATOM 0 HB3 SER A 71 -0.392 -3.470 6.146 1.00 0.67 H new ATOM 0 HG SER A 71 0.725 -4.815 8.319 1.00 1.43 H new ATOM 1129 N LYS A 72 -2.763 -3.121 9.424 1.00 0.55 N ATOM 1130 CA LYS A 72 -4.150 -3.256 9.865 1.00 0.69 C ATOM 1131 C LYS A 72 -4.823 -1.904 10.157 1.00 0.81 C ATOM 1132 O LYS A 72 -6.043 -1.868 10.332 1.00 1.32 O ATOM 1133 CB LYS A 72 -4.186 -4.186 11.090 1.00 0.75 C ATOM 1134 CG LYS A 72 -5.615 -4.630 11.436 1.00 1.13 C ATOM 1135 CD LYS A 72 -6.106 -3.970 12.732 1.00 2.91 C ATOM 1136 CE LYS A 72 -7.635 -3.968 12.765 1.00 3.82 C ATOM 1137 NZ LYS A 72 -8.184 -2.841 11.978 1.00 5.21 N ATOM 0 H LYS A 72 -2.091 -3.548 10.062 1.00 0.55 H new ATOM 0 HA LYS A 72 -4.730 -3.692 9.052 1.00 0.69 H new ATOM 0 HB2 LYS A 72 -3.571 -5.065 10.896 1.00 0.75 H new ATOM 0 HB3 LYS A 72 -3.749 -3.674 11.947 1.00 0.75 H new ATOM 0 HG2 LYS A 72 -6.287 -4.372 10.617 1.00 1.13 H new ATOM 0 HG3 LYS A 72 -5.645 -5.714 11.544 1.00 1.13 H new ATOM 0 HD2 LYS A 72 -5.715 -4.508 13.596 1.00 2.91 H new ATOM 0 HD3 LYS A 72 -5.730 -2.949 12.796 1.00 2.91 H new ATOM 0 HE2 LYS A 72 -8.012 -4.911 12.368 1.00 3.82 H new ATOM 0 HE3 LYS A 72 -7.979 -3.897 13.797 1.00 3.82 H new ATOM 0 HZ1 LYS A 72 -8.969 -3.181 11.387 1.00 5.21 H new ATOM 0 HZ2 LYS A 72 -8.531 -2.103 12.624 1.00 5.21 H new ATOM 0 HZ3 LYS A 72 -7.438 -2.446 11.370 1.00 5.21 H new ATOM 1151 N THR A 73 -4.073 -0.800 10.185 1.00 0.49 N ATOM 1152 CA THR A 73 -4.597 0.556 10.324 1.00 0.54 C ATOM 1153 C THR A 73 -4.449 1.374 9.029 1.00 0.53 C ATOM 1154 O THR A 73 -4.601 2.594 9.060 1.00 0.79 O ATOM 1155 CB THR A 73 -4.002 1.233 11.567 1.00 0.60 C ATOM 1156 OG1 THR A 73 -4.868 2.275 11.958 1.00 1.23 O ATOM 1157 CG2 THR A 73 -2.596 1.808 11.388 1.00 1.15 C ATOM 0 H THR A 73 -3.056 -0.828 10.109 1.00 0.49 H new ATOM 0 HA THR A 73 -5.673 0.500 10.486 1.00 0.54 H new ATOM 0 HB THR A 73 -3.906 0.451 12.320 1.00 0.60 H new ATOM 0 HG1 THR A 73 -5.127 2.798 11.171 1.00 1.23 H new ATOM 0 HG21 THR A 73 -2.267 2.263 12.322 1.00 1.15 H new ATOM 0 HG22 THR A 73 -1.908 1.008 11.112 1.00 1.15 H new ATOM 0 HG23 THR A 73 -2.609 2.563 10.601 1.00 1.15 H new ATOM 1165 N PHE A 74 -4.152 0.710 7.909 1.00 0.49 N ATOM 1166 CA PHE A 74 -3.860 1.306 6.609 1.00 0.47 C ATOM 1167 C PHE A 74 -4.584 0.616 5.459 1.00 0.41 C ATOM 1168 O PHE A 74 -4.751 1.232 4.414 1.00 0.45 O ATOM 1169 CB PHE A 74 -2.360 1.205 6.322 1.00 0.53 C ATOM 1170 CG PHE A 74 -1.453 2.055 7.156 1.00 0.61 C ATOM 1171 CD1 PHE A 74 -1.815 3.369 7.494 1.00 2.31 C ATOM 1172 CD2 PHE A 74 -0.215 1.526 7.555 1.00 1.60 C ATOM 1173 CE1 PHE A 74 -0.984 4.115 8.335 1.00 2.52 C ATOM 1174 CE2 PHE A 74 0.631 2.288 8.366 1.00 1.51 C ATOM 1175 CZ PHE A 74 0.215 3.553 8.792 1.00 1.05 C ATOM 0 H PHE A 74 -4.107 -0.309 7.886 1.00 0.49 H new ATOM 0 HA PHE A 74 -4.200 2.340 6.666 1.00 0.47 H new ATOM 0 HB2 PHE A 74 -2.060 0.165 6.447 1.00 0.53 H new ATOM 0 HB3 PHE A 74 -2.197 1.460 5.275 1.00 0.53 H new ATOM 0 HD1 PHE A 74 -2.727 3.799 7.108 1.00 2.31 H new ATOM 0 HD2 PHE A 74 0.082 0.537 7.238 1.00 1.60 H new ATOM 0 HE1 PHE A 74 -1.264 5.116 8.630 1.00 2.52 H new ATOM 0 HE2 PHE A 74 1.596 1.903 8.661 1.00 1.51 H new ATOM 0 HZ PHE A 74 0.829 4.107 9.486 1.00 1.05 H new ATOM 1185 N ILE A 75 -4.992 -0.648 5.585 1.00 0.42 N ATOM 1186 CA ILE A 75 -5.799 -1.292 4.564 1.00 0.43 C ATOM 1187 C ILE A 75 -7.050 -0.436 4.350 1.00 0.46 C ATOM 1188 O ILE A 75 -7.854 -0.251 5.259 1.00 0.63 O ATOM 1189 CB ILE A 75 -6.057 -2.765 4.966 1.00 0.48 C ATOM 1190 CG1 ILE A 75 -5.608 -3.697 3.839 1.00 0.72 C ATOM 1191 CG2 ILE A 75 -7.510 -3.112 5.308 1.00 0.68 C ATOM 1192 CD1 ILE A 75 -5.394 -5.124 4.359 1.00 0.99 C ATOM 0 H ILE A 75 -4.774 -1.240 6.386 1.00 0.42 H new ATOM 0 HA ILE A 75 -5.297 -1.352 3.598 1.00 0.43 H new ATOM 0 HB ILE A 75 -5.480 -2.902 5.880 1.00 0.48 H new ATOM 0 HG12 ILE A 75 -6.357 -3.703 3.047 1.00 0.72 H new ATOM 0 HG13 ILE A 75 -4.683 -3.323 3.400 1.00 0.72 H new ATOM 0 HG21 ILE A 75 -7.579 -4.166 5.575 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -7.842 -2.502 6.148 1.00 0.68 H new ATOM 0 HG23 ILE A 75 -8.144 -2.914 4.444 1.00 0.68 H new ATOM 0 HD11 ILE A 75 -5.075 -5.766 3.538 1.00 0.99 H new ATOM 0 HD12 ILE A 75 -4.627 -5.118 5.134 1.00 0.99 H new ATOM 0 HD13 ILE A 75 -6.327 -5.503 4.775 1.00 0.99 H new ATOM 1204 N ILE A 76 -7.189 0.140 3.159 1.00 0.41 N ATOM 1205 CA ILE A 76 -8.383 0.879 2.781 1.00 0.44 C ATOM 1206 C ILE A 76 -9.307 -0.003 1.949 1.00 0.49 C ATOM 1207 O ILE A 76 -10.389 0.426 1.552 1.00 0.60 O ATOM 1208 CB ILE A 76 -8.007 2.193 2.082 1.00 0.44 C ATOM 1209 CG1 ILE A 76 -7.227 2.013 0.769 1.00 0.45 C ATOM 1210 CG2 ILE A 76 -7.146 3.015 3.024 1.00 0.53 C ATOM 1211 CD1 ILE A 76 -8.189 1.796 -0.378 1.00 0.75 C ATOM 0 H ILE A 76 -6.475 0.106 2.431 1.00 0.41 H new ATOM 0 HA ILE A 76 -8.939 1.158 3.676 1.00 0.44 H new ATOM 0 HB ILE A 76 -8.948 2.682 1.830 1.00 0.44 H new ATOM 0 HG12 ILE A 76 -6.613 2.893 0.578 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -6.550 1.163 0.852 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -6.871 3.952 2.541 1.00 0.53 H new ATOM 0 HG22 ILE A 76 -7.704 3.227 3.936 1.00 0.53 H new ATOM 0 HG23 ILE A 76 -6.244 2.457 3.273 1.00 0.53 H new ATOM 0 HD11 ILE A 76 -7.628 1.669 -1.304 1.00 0.75 H new ATOM 0 HD12 ILE A 76 -8.785 0.903 -0.189 1.00 0.75 H new ATOM 0 HD13 ILE A 76 -8.848 2.659 -0.468 1.00 0.75 H new ATOM 1223 N GLY A 77 -8.902 -1.245 1.682 1.00 0.52 N ATOM 1224 CA GLY A 77 -9.733 -2.196 0.988 1.00 0.64 C ATOM 1225 C GLY A 77 -8.875 -3.306 0.415 1.00 0.54 C ATOM 1226 O GLY A 77 -7.773 -3.564 0.893 1.00 0.54 O ATOM 0 H GLY A 77 -7.986 -1.608 1.946 1.00 0.52 H new ATOM 0 HA2 GLY A 77 -10.474 -2.612 1.671 1.00 0.64 H new ATOM 0 HA3 GLY A 77 -10.281 -1.698 0.188 1.00 0.64 H new ATOM 1230 N GLU A 78 -9.380 -3.961 -0.623 1.00 0.55 N ATOM 1231 CA GLU A 78 -8.628 -4.947 -1.368 1.00 0.58 C ATOM 1232 C GLU A 78 -8.889 -4.699 -2.843 1.00 0.56 C ATOM 1233 O GLU A 78 -9.847 -3.998 -3.190 1.00 0.60 O ATOM 1234 CB GLU A 78 -9.022 -6.348 -0.886 1.00 0.73 C ATOM 1235 CG GLU A 78 -8.530 -7.497 -1.774 1.00 2.48 C ATOM 1236 CD GLU A 78 -8.510 -8.864 -1.067 1.00 2.74 C ATOM 1237 OE1 GLU A 78 -8.475 -8.886 0.188 1.00 2.65 O ATOM 1238 OE2 GLU A 78 -8.560 -9.882 -1.793 1.00 3.89 O ATOM 0 H GLU A 78 -10.329 -3.818 -0.969 1.00 0.55 H new ATOM 0 HA GLU A 78 -7.553 -4.869 -1.207 1.00 0.58 H new ATOM 0 HB2 GLU A 78 -8.631 -6.493 0.121 1.00 0.73 H new ATOM 0 HB3 GLU A 78 -10.109 -6.401 -0.817 1.00 0.73 H new ATOM 0 HG2 GLU A 78 -9.170 -7.563 -2.654 1.00 2.48 H new ATOM 0 HG3 GLU A 78 -7.525 -7.266 -2.127 1.00 2.48 H new ATOM 1245 N LEU A 79 -7.996 -5.209 -3.695 1.00 0.71 N ATOM 1246 CA LEU A 79 -8.127 -5.072 -5.119 1.00 0.85 C ATOM 1247 C LEU A 79 -9.420 -5.727 -5.581 1.00 0.73 C ATOM 1248 O LEU A 79 -9.993 -6.583 -4.910 1.00 0.82 O ATOM 1249 CB LEU A 79 -6.921 -5.735 -5.800 1.00 1.20 C ATOM 1250 CG LEU A 79 -5.861 -4.770 -6.322 1.00 1.15 C ATOM 1251 CD1 LEU A 79 -6.476 -3.601 -7.080 1.00 2.17 C ATOM 1252 CD2 LEU A 79 -4.936 -4.224 -5.243 1.00 2.40 C ATOM 0 H LEU A 79 -7.167 -5.726 -3.401 1.00 0.71 H new ATOM 0 HA LEU A 79 -8.156 -4.016 -5.388 1.00 0.85 H new ATOM 0 HB2 LEU A 79 -6.452 -6.416 -5.090 1.00 1.20 H new ATOM 0 HB3 LEU A 79 -7.281 -6.340 -6.632 1.00 1.20 H new ATOM 0 HG LEU A 79 -5.259 -5.375 -7.000 1.00 1.15 H new ATOM 0 HD11 LEU A 79 -5.685 -2.940 -7.433 1.00 2.17 H new ATOM 0 HD12 LEU A 79 -7.042 -3.977 -7.932 1.00 2.17 H new ATOM 0 HD13 LEU A 79 -7.142 -3.048 -6.418 1.00 2.17 H new ATOM 0 HD21 LEU A 79 -4.211 -3.546 -5.694 1.00 2.40 H new ATOM 0 HD22 LEU A 79 -5.523 -3.685 -4.499 1.00 2.40 H new ATOM 0 HD23 LEU A 79 -4.411 -5.049 -4.762 1.00 2.40 H new ATOM 1264 N HIS A 80 -9.873 -5.321 -6.761 1.00 0.80 N ATOM 1265 CA HIS A 80 -11.107 -5.838 -7.313 1.00 0.91 C ATOM 1266 C HIS A 80 -11.001 -7.329 -7.619 1.00 1.09 C ATOM 1267 O HIS A 80 -9.904 -7.875 -7.734 1.00 1.08 O ATOM 1268 CB HIS A 80 -11.455 -5.056 -8.585 1.00 1.07 C ATOM 1269 CG HIS A 80 -12.769 -4.321 -8.506 1.00 0.98 C ATOM 1270 ND1 HIS A 80 -13.669 -4.191 -9.539 1.00 1.51 N ATOM 1271 CD2 HIS A 80 -13.339 -3.781 -7.384 1.00 0.86 C ATOM 1272 CE1 HIS A 80 -14.761 -3.581 -9.043 1.00 1.33 C ATOM 1273 NE2 HIS A 80 -14.604 -3.311 -7.738 1.00 0.94 N ATOM 0 H HIS A 80 -9.400 -4.635 -7.350 1.00 0.80 H new ATOM 0 HA HIS A 80 -11.899 -5.713 -6.574 1.00 0.91 H new ATOM 0 HB2 HIS A 80 -10.660 -4.339 -8.789 1.00 1.07 H new ATOM 0 HB3 HIS A 80 -11.485 -5.746 -9.428 1.00 1.07 H new ATOM 0 HD2 HIS A 80 -12.891 -3.728 -6.403 1.00 0.86 H new ATOM 0 HE1 HIS A 80 -15.644 -3.341 -9.617 1.00 1.33 H new ATOM 0 HE2 HIS A 80 -15.278 -2.852 -7.125 1.00 0.94 H new ATOM 1281 N PRO A 81 -12.140 -7.988 -7.863 1.00 1.58 N ATOM 1282 CA PRO A 81 -12.141 -9.404 -8.146 1.00 1.97 C ATOM 1283 C PRO A 81 -11.466 -9.698 -9.487 1.00 2.10 C ATOM 1284 O PRO A 81 -10.995 -10.812 -9.700 1.00 2.46 O ATOM 1285 CB PRO A 81 -13.612 -9.822 -8.104 1.00 2.66 C ATOM 1286 CG PRO A 81 -14.396 -8.542 -8.399 1.00 2.76 C ATOM 1287 CD PRO A 81 -13.458 -7.402 -8.017 1.00 2.05 C ATOM 0 HA PRO A 81 -11.564 -9.977 -7.420 1.00 1.97 H new ATOM 0 HB2 PRO A 81 -13.824 -10.594 -8.844 1.00 2.66 H new ATOM 0 HB3 PRO A 81 -13.878 -10.232 -7.130 1.00 2.66 H new ATOM 0 HG2 PRO A 81 -14.677 -8.486 -9.451 1.00 2.76 H new ATOM 0 HG3 PRO A 81 -15.319 -8.503 -7.820 1.00 2.76 H new ATOM 0 HD2 PRO A 81 -13.452 -6.630 -8.787 1.00 2.05 H new ATOM 0 HD3 PRO A 81 -13.782 -6.927 -7.091 1.00 2.05 H new ATOM 1295 N ASP A 82 -11.350 -8.699 -10.364 1.00 2.33 N ATOM 1296 CA ASP A 82 -10.656 -8.789 -11.642 1.00 2.66 C ATOM 1297 C ASP A 82 -9.179 -9.124 -11.432 1.00 2.25 C ATOM 1298 O ASP A 82 -8.615 -9.965 -12.128 1.00 2.38 O ATOM 1299 CB ASP A 82 -10.790 -7.462 -12.404 1.00 3.26 C ATOM 1300 CG ASP A 82 -12.235 -7.118 -12.774 1.00 3.71 C ATOM 1301 OD1 ASP A 82 -13.074 -7.124 -11.841 1.00 4.19 O ATOM 1302 OD2 ASP A 82 -12.470 -6.798 -13.959 1.00 4.51 O ATOM 0 H ASP A 82 -11.751 -7.777 -10.195 1.00 2.33 H new ATOM 0 HA ASP A 82 -11.111 -9.588 -12.228 1.00 2.66 H new ATOM 0 HB2 ASP A 82 -10.377 -6.658 -11.794 1.00 3.26 H new ATOM 0 HB3 ASP A 82 -10.192 -7.512 -13.314 1.00 3.26 H new ATOM 1307 N ASP A 83 -8.551 -8.501 -10.433 1.00 1.96 N ATOM 1308 CA ASP A 83 -7.170 -8.790 -10.047 1.00 1.97 C ATOM 1309 C ASP A 83 -7.061 -10.199 -9.467 1.00 1.74 C ATOM 1310 O ASP A 83 -6.014 -10.837 -9.514 1.00 2.33 O ATOM 1311 CB ASP A 83 -6.741 -7.736 -9.025 1.00 2.46 C ATOM 1312 CG ASP A 83 -5.373 -8.003 -8.398 1.00 4.41 C ATOM 1313 OD1 ASP A 83 -4.380 -7.891 -9.147 1.00 5.13 O ATOM 1314 OD2 ASP A 83 -5.343 -8.241 -7.170 1.00 5.71 O ATOM 0 H ASP A 83 -8.990 -7.776 -9.865 1.00 1.96 H new ATOM 0 HA ASP A 83 -6.513 -8.750 -10.916 1.00 1.97 H new ATOM 0 HB2 ASP A 83 -6.723 -6.760 -9.510 1.00 2.46 H new ATOM 0 HB3 ASP A 83 -7.489 -7.686 -8.234 1.00 2.46 H new ATOM 1319 N ARG A 84 -8.180 -10.758 -9.004 1.00 1.67 N ATOM 1320 CA ARG A 84 -8.221 -12.075 -8.402 1.00 2.25 C ATOM 1321 C ARG A 84 -8.507 -13.151 -9.452 1.00 2.74 C ATOM 1322 O ARG A 84 -9.239 -14.091 -9.155 1.00 4.08 O ATOM 1323 CB ARG A 84 -9.259 -12.079 -7.268 1.00 2.57 C ATOM 1324 CG ARG A 84 -8.835 -13.100 -6.206 1.00 3.16 C ATOM 1325 CD ARG A 84 -10.028 -13.735 -5.480 1.00 4.19 C ATOM 1326 NE ARG A 84 -9.864 -15.195 -5.384 1.00 4.95 N ATOM 1327 CZ ARG A 84 -10.171 -16.073 -6.351 1.00 5.88 C ATOM 1328 NH1 ARG A 84 -10.675 -15.659 -7.511 1.00 6.45 N ATOM 1329 NH2 ARG A 84 -9.958 -17.376 -6.165 1.00 6.73 N ATOM 0 H ARG A 84 -9.089 -10.297 -9.041 1.00 1.67 H new ATOM 0 HA ARG A 84 -7.246 -12.313 -7.976 1.00 2.25 H new ATOM 0 HB2 ARG A 84 -9.337 -11.086 -6.825 1.00 2.57 H new ATOM 0 HB3 ARG A 84 -10.244 -12.331 -7.660 1.00 2.57 H new ATOM 0 HG2 ARG A 84 -8.244 -13.885 -6.679 1.00 3.16 H new ATOM 0 HG3 ARG A 84 -8.190 -12.611 -5.476 1.00 3.16 H new ATOM 0 HD2 ARG A 84 -10.121 -13.308 -4.481 1.00 4.19 H new ATOM 0 HD3 ARG A 84 -10.950 -13.502 -6.013 1.00 4.19 H new ATOM 0 HE ARG A 84 -9.487 -15.569 -4.513 1.00 4.95 H new ATOM 0 HH11 ARG A 84 -10.832 -14.664 -7.673 1.00 6.45 H new ATOM 0 HH12 ARG A 84 -10.904 -16.336 -8.238 1.00 6.45 H new ATOM 0 HH21 ARG A 84 -9.561 -17.707 -5.286 1.00 6.73 H new ATOM 0 HH22 ARG A 84 -10.192 -18.041 -6.902 1.00 6.73 H new ATOM 1343 N SER A 85 -7.958 -13.031 -10.667 1.00 2.41 N ATOM 1344 CA SER A 85 -8.055 -14.026 -11.743 1.00 3.05 C ATOM 1345 C SER A 85 -9.286 -13.768 -12.621 1.00 3.69 C ATOM 1346 O SER A 85 -10.075 -14.671 -12.888 1.00 4.17 O ATOM 1347 CB SER A 85 -8.035 -15.469 -11.196 1.00 3.10 C ATOM 1348 OG SER A 85 -7.596 -16.388 -12.180 1.00 4.05 O ATOM 0 H SER A 85 -7.415 -12.211 -10.938 1.00 2.41 H new ATOM 0 HA SER A 85 -7.171 -13.917 -12.372 1.00 3.05 H new ATOM 0 HB2 SER A 85 -7.378 -15.522 -10.328 1.00 3.10 H new ATOM 0 HB3 SER A 85 -9.034 -15.745 -10.857 1.00 3.10 H new ATOM 0 HG SER A 85 -7.592 -17.293 -11.804 1.00 4.05 H new ATOM 1354 N LYS A 86 -9.472 -12.530 -13.086 1.00 4.10 N ATOM 1355 CA LYS A 86 -10.605 -12.163 -13.935 1.00 5.24 C ATOM 1356 C LYS A 86 -10.251 -10.929 -14.776 1.00 6.24 C ATOM 1357 O LYS A 86 -11.002 -9.962 -14.781 1.00 7.25 O ATOM 1358 CB LYS A 86 -11.848 -11.950 -13.036 1.00 5.37 C ATOM 1359 CG LYS A 86 -12.816 -13.145 -13.001 1.00 6.00 C ATOM 1360 CD LYS A 86 -14.161 -12.865 -13.690 1.00 7.16 C ATOM 1361 CE LYS A 86 -14.094 -13.174 -15.190 1.00 7.56 C ATOM 1362 NZ LYS A 86 -13.373 -12.135 -15.959 1.00 8.01 N ATOM 0 H LYS A 86 -8.841 -11.755 -12.884 1.00 4.10 H new ATOM 0 HA LYS A 86 -10.839 -12.959 -14.642 1.00 5.24 H new ATOM 0 HB2 LYS A 86 -11.515 -11.737 -12.020 1.00 5.37 H new ATOM 0 HB3 LYS A 86 -12.388 -11.070 -13.385 1.00 5.37 H new ATOM 0 HG2 LYS A 86 -12.342 -14.001 -13.482 1.00 6.00 H new ATOM 0 HG3 LYS A 86 -12.999 -13.424 -11.963 1.00 6.00 H new ATOM 0 HD2 LYS A 86 -14.942 -13.468 -13.227 1.00 7.16 H new ATOM 0 HD3 LYS A 86 -14.436 -11.821 -13.544 1.00 7.16 H new ATOM 0 HE2 LYS A 86 -13.601 -14.135 -15.336 1.00 7.56 H new ATOM 0 HE3 LYS A 86 -15.107 -13.272 -15.582 1.00 7.56 H new ATOM 0 HZ1 LYS A 86 -13.814 -12.027 -16.895 1.00 8.01 H new ATOM 0 HZ2 LYS A 86 -13.419 -11.230 -15.448 1.00 8.01 H new ATOM 0 HZ3 LYS A 86 -12.379 -12.416 -16.075 1.00 8.01 H new ATOM 1376 N LEU A 87 -9.174 -10.980 -15.563 1.00 6.50 N ATOM 1377 CA LEU A 87 -8.745 -9.861 -16.401 1.00 7.64 C ATOM 1378 C LEU A 87 -8.701 -10.313 -17.850 1.00 8.73 C ATOM 1379 O LEU A 87 -8.028 -11.294 -18.162 1.00 8.88 O ATOM 1380 CB LEU A 87 -7.364 -9.377 -15.948 1.00 7.49 C ATOM 1381 CG LEU A 87 -7.506 -8.354 -14.815 1.00 7.03 C ATOM 1382 CD1 LEU A 87 -6.290 -8.410 -13.891 1.00 6.55 C ATOM 1383 CD2 LEU A 87 -7.650 -6.943 -15.391 1.00 7.77 C ATOM 0 H LEU A 87 -8.574 -11.802 -15.636 1.00 6.50 H new ATOM 0 HA LEU A 87 -9.450 -9.035 -16.306 1.00 7.64 H new ATOM 0 HB2 LEU A 87 -6.767 -10.224 -15.610 1.00 7.49 H new ATOM 0 HB3 LEU A 87 -6.834 -8.928 -16.788 1.00 7.49 H new ATOM 0 HG LEU A 87 -8.399 -8.599 -14.241 1.00 7.03 H new ATOM 0 HD11 LEU A 87 -6.406 -7.678 -13.092 1.00 6.55 H new ATOM 0 HD12 LEU A 87 -6.206 -9.408 -13.460 1.00 6.55 H new ATOM 0 HD13 LEU A 87 -5.389 -8.185 -14.461 1.00 6.55 H new ATOM 0 HD21 LEU A 87 -7.750 -6.226 -14.576 1.00 7.77 H new ATOM 0 HD22 LEU A 87 -6.767 -6.700 -15.982 1.00 7.77 H new ATOM 0 HD23 LEU A 87 -8.535 -6.897 -16.025 1.00 7.77 H new ATOM 1395 N SER A 88 -9.402 -9.579 -18.720 1.00 9.76 N ATOM 1396 CA SER A 88 -9.556 -9.886 -20.128 1.00 10.93 C ATOM 1397 C SER A 88 -10.082 -11.311 -20.350 1.00 10.69 C ATOM 1398 O SER A 88 -10.430 -12.015 -19.401 1.00 10.18 O ATOM 1399 CB SER A 88 -8.233 -9.602 -20.848 1.00 11.66 C ATOM 1400 OG SER A 88 -7.470 -8.619 -20.172 1.00 12.16 O ATOM 0 H SER A 88 -9.891 -8.727 -18.444 1.00 9.76 H new ATOM 0 HA SER A 88 -10.319 -9.240 -20.563 1.00 10.93 H new ATOM 0 HB2 SER A 88 -7.655 -10.523 -20.924 1.00 11.66 H new ATOM 0 HB3 SER A 88 -8.437 -9.269 -21.866 1.00 11.66 H new ATOM 0 HG SER A 88 -6.633 -8.464 -20.657 1.00 12.16 H new ATOM 1406 N LYS A 89 -10.198 -11.735 -21.611 1.00 11.37 N ATOM 1407 CA LYS A 89 -10.472 -13.124 -21.956 1.00 11.53 C ATOM 1408 C LYS A 89 -10.256 -13.271 -23.463 1.00 12.52 C ATOM 1409 O LYS A 89 -10.999 -12.661 -24.226 1.00 13.38 O ATOM 1410 CB LYS A 89 -11.919 -13.501 -21.575 1.00 11.77 C ATOM 1411 CG LYS A 89 -12.266 -14.961 -21.890 1.00 12.33 C ATOM 1412 CD LYS A 89 -11.527 -15.947 -20.977 1.00 12.20 C ATOM 1413 CE LYS A 89 -11.752 -17.365 -21.507 1.00 13.22 C ATOM 1414 NZ LYS A 89 -10.883 -18.355 -20.833 1.00 13.71 N ATOM 0 H LYS A 89 -10.104 -11.120 -22.420 1.00 11.37 H new ATOM 0 HA LYS A 89 -9.808 -13.793 -21.408 1.00 11.53 H new ATOM 0 HB2 LYS A 89 -12.066 -13.321 -20.510 1.00 11.77 H new ATOM 0 HB3 LYS A 89 -12.610 -12.847 -22.107 1.00 11.77 H new ATOM 0 HG2 LYS A 89 -13.341 -15.107 -21.784 1.00 12.33 H new ATOM 0 HG3 LYS A 89 -12.016 -15.175 -22.929 1.00 12.33 H new ATOM 0 HD2 LYS A 89 -10.462 -15.716 -20.954 1.00 12.20 H new ATOM 0 HD3 LYS A 89 -11.893 -15.863 -19.954 1.00 12.20 H new ATOM 0 HE2 LYS A 89 -12.796 -17.643 -21.365 1.00 13.22 H new ATOM 0 HE3 LYS A 89 -11.560 -17.385 -22.580 1.00 13.22 H new ATOM 0 HZ1 LYS A 89 -11.068 -19.301 -21.222 1.00 13.71 H new ATOM 0 HZ2 LYS A 89 -9.886 -18.105 -20.990 1.00 13.71 H new ATOM 0 HZ3 LYS A 89 -11.084 -18.355 -19.813 1.00 13.71 H new ATOM 1428 N PRO A 90 -9.252 -14.028 -23.920 1.00 12.73 N ATOM 1429 CA PRO A 90 -9.103 -14.307 -25.334 1.00 13.88 C ATOM 1430 C PRO A 90 -10.244 -15.235 -25.749 1.00 14.36 C ATOM 1431 O PRO A 90 -10.304 -16.377 -25.293 1.00 14.35 O ATOM 1432 CB PRO A 90 -7.719 -14.939 -25.493 1.00 14.19 C ATOM 1433 CG PRO A 90 -7.382 -15.510 -24.113 1.00 13.28 C ATOM 1434 CD PRO A 90 -8.295 -14.778 -23.127 1.00 12.24 C ATOM 0 HA PRO A 90 -9.162 -13.426 -25.973 1.00 13.88 H new ATOM 0 HB2 PRO A 90 -7.727 -15.721 -26.252 1.00 14.19 H new ATOM 0 HB3 PRO A 90 -6.981 -14.200 -25.805 1.00 14.19 H new ATOM 0 HG2 PRO A 90 -7.555 -16.586 -24.082 1.00 13.28 H new ATOM 0 HG3 PRO A 90 -6.332 -15.348 -23.868 1.00 13.28 H new ATOM 0 HD2 PRO A 90 -8.805 -15.486 -22.473 1.00 12.24 H new ATOM 0 HD3 PRO A 90 -7.717 -14.112 -22.486 1.00 12.24 H new ATOM 1442 N MET A 91 -11.166 -14.736 -26.573 1.00 15.04 N ATOM 1443 CA MET A 91 -12.275 -15.505 -27.112 1.00 15.77 C ATOM 1444 C MET A 91 -12.315 -15.260 -28.621 1.00 16.64 C ATOM 1445 O MET A 91 -11.817 -14.235 -29.083 1.00 16.86 O ATOM 1446 CB MET A 91 -13.580 -15.052 -26.439 1.00 16.04 C ATOM 1447 CG MET A 91 -14.654 -16.142 -26.507 1.00 16.79 C ATOM 1448 SD MET A 91 -16.349 -15.497 -26.490 1.00 17.85 S ATOM 1449 CE MET A 91 -17.051 -16.386 -27.910 1.00 19.08 C ATOM 0 H MET A 91 -11.158 -13.766 -26.887 1.00 15.04 H new ATOM 0 HA MET A 91 -12.153 -16.571 -26.919 1.00 15.77 H new ATOM 0 HB2 MET A 91 -13.384 -14.797 -25.397 1.00 16.04 H new ATOM 0 HB3 MET A 91 -13.946 -14.148 -26.925 1.00 16.04 H new ATOM 0 HG2 MET A 91 -14.507 -16.729 -27.414 1.00 16.79 H new ATOM 0 HG3 MET A 91 -14.524 -16.821 -25.664 1.00 16.79 H new ATOM 0 HE1 MET A 91 -18.117 -16.169 -27.984 1.00 19.08 H new ATOM 0 HE2 MET A 91 -16.551 -16.065 -28.824 1.00 19.08 H new ATOM 0 HE3 MET A 91 -16.907 -17.458 -27.775 1.00 19.08 H new ATOM 1459 N GLU A 92 -12.915 -16.169 -29.387 1.00 17.38 N ATOM 1460 CA GLU A 92 -13.069 -16.047 -30.829 1.00 18.37 C ATOM 1461 C GLU A 92 -14.405 -16.674 -31.221 1.00 19.02 C ATOM 1462 O GLU A 92 -15.006 -17.364 -30.397 1.00 18.81 O ATOM 1463 CB GLU A 92 -11.881 -16.721 -31.531 1.00 18.78 C ATOM 1464 CG GLU A 92 -11.789 -18.238 -31.284 1.00 19.23 C ATOM 1465 CD GLU A 92 -12.299 -19.045 -32.478 1.00 20.47 C ATOM 1466 OE1 GLU A 92 -11.463 -19.345 -33.359 1.00 21.06 O ATOM 1467 OE2 GLU A 92 -13.510 -19.350 -32.495 1.00 21.01 O ATOM 0 H GLU A 92 -13.315 -17.028 -29.011 1.00 17.38 H new ATOM 0 HA GLU A 92 -13.074 -15.002 -31.139 1.00 18.37 H new ATOM 0 HB2 GLU A 92 -11.956 -16.541 -32.603 1.00 18.78 H new ATOM 0 HB3 GLU A 92 -10.957 -16.251 -31.193 1.00 18.78 H new ATOM 0 HG2 GLU A 92 -10.754 -18.510 -31.079 1.00 19.23 H new ATOM 0 HG3 GLU A 92 -12.368 -18.497 -30.398 1.00 19.23 H new ATOM 1474 N THR A 93 -14.862 -16.424 -32.451 1.00 19.98 N ATOM 1475 CA THR A 93 -16.125 -16.961 -32.942 1.00 20.77 C ATOM 1476 C THR A 93 -16.031 -17.254 -34.437 1.00 21.75 C ATOM 1477 O THR A 93 -16.274 -18.382 -34.863 1.00 22.38 O ATOM 1478 CB THR A 93 -17.259 -15.963 -32.649 1.00 20.90 C ATOM 1479 OG1 THR A 93 -17.421 -15.792 -31.257 1.00 20.47 O ATOM 1480 CG2 THR A 93 -18.598 -16.420 -33.237 1.00 21.81 C ATOM 0 H THR A 93 -14.366 -15.845 -33.129 1.00 19.98 H new ATOM 0 HA THR A 93 -16.342 -17.898 -32.429 1.00 20.77 H new ATOM 0 HB THR A 93 -16.972 -15.022 -33.118 1.00 20.90 H new ATOM 0 HG1 THR A 93 -18.145 -15.153 -31.088 1.00 20.47 H new ATOM 0 HG21 THR A 93 -19.368 -15.684 -33.005 1.00 21.81 H new ATOM 0 HG22 THR A 93 -18.506 -16.519 -34.319 1.00 21.81 H new ATOM 0 HG23 THR A 93 -18.875 -17.382 -32.807 1.00 21.81 H new ATOM 1488 N LEU A 94 -15.746 -16.235 -35.254 1.00 22.07 N ATOM 1489 CA LEU A 94 -15.630 -16.367 -36.698 1.00 23.11 C ATOM 1490 C LEU A 94 -14.953 -15.114 -37.244 1.00 23.12 C ATOM 1491 O LEU A 94 -14.559 -14.280 -36.396 1.00 22.64 O ATOM 1492 CB LEU A 94 -17.024 -16.537 -37.327 1.00 23.89 C ATOM 1493 CG LEU A 94 -16.993 -17.482 -38.542 1.00 25.05 C ATOM 1494 CD1 LEU A 94 -17.784 -18.755 -38.216 1.00 25.74 C ATOM 1495 CD2 LEU A 94 -17.583 -16.801 -39.777 1.00 25.52 C ATOM 1496 OXT LEU A 94 -14.897 -14.993 -38.485 1.00 23.80 O ATOM 0 H LEU A 94 -15.588 -15.284 -34.920 1.00 22.07 H new ATOM 0 HA LEU A 94 -15.036 -17.246 -36.946 1.00 23.11 H new ATOM 0 HB2 LEU A 94 -17.714 -16.929 -36.580 1.00 23.89 H new ATOM 0 HB3 LEU A 94 -17.405 -15.563 -37.634 1.00 23.89 H new ATOM 0 HG LEU A 94 -15.957 -17.740 -38.760 1.00 25.05 H new ATOM 0 HD11 LEU A 94 -17.764 -19.426 -39.075 1.00 25.74 H new ATOM 0 HD12 LEU A 94 -17.335 -19.252 -37.356 1.00 25.74 H new ATOM 0 HD13 LEU A 94 -18.816 -18.493 -37.985 1.00 25.74 H new ATOM 0 HD21 LEU A 94 -17.550 -17.488 -40.622 1.00 25.52 H new ATOM 0 HD22 LEU A 94 -18.617 -16.520 -39.578 1.00 25.52 H new ATOM 0 HD23 LEU A 94 -17.003 -15.909 -40.012 1.00 25.52 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.238 -0.007 5.721 1.00 0.51 FE HETATM 1510 CHA HEM A 95 10.969 0.488 7.705 1.00 1.02 C HETATM 1511 CHB HEM A 95 6.153 0.036 8.485 1.00 0.42 C HETATM 1512 CHC HEM A 95 5.477 -0.787 3.696 1.00 0.37 C HETATM 1513 CHD HEM A 95 10.240 0.041 2.853 1.00 0.52 C HETATM 1514 NA HEM A 95 8.507 0.209 7.731 1.00 0.68 N HETATM 1515 C1A HEM A 95 9.719 0.371 8.322 1.00 0.91 C HETATM 1516 C2A HEM A 95 9.502 0.375 9.752 1.00 1.00 C HETATM 1517 C3A HEM A 95 8.140 0.321 9.962 1.00 0.80 C HETATM 1518 C4A HEM A 95 7.520 0.184 8.670 1.00 0.60 C HETATM 1519 CMA HEM A 95 7.395 0.358 11.278 1.00 0.85 C HETATM 1520 CAA HEM A 95 10.580 0.299 10.809 1.00 1.18 C HETATM 1521 CBA HEM A 95 11.362 -1.018 10.745 1.00 1.23 C HETATM 1522 CGA HEM A 95 12.096 -1.311 12.048 1.00 1.82 C HETATM 1523 O1A HEM A 95 12.680 -0.358 12.608 1.00 3.00 O HETATM 1524 O2A HEM A 95 12.054 -2.491 12.461 1.00 2.54 O HETATM 1525 NB HEM A 95 6.209 -0.275 6.020 1.00 0.35 N HETATM 1526 C1B HEM A 95 5.588 -0.199 7.241 1.00 0.34 C HETATM 1527 C2B HEM A 95 4.183 -0.442 7.039 1.00 0.31 C HETATM 1528 C3B HEM A 95 4.020 -0.714 5.711 1.00 0.35 C HETATM 1529 C4B HEM A 95 5.288 -0.589 5.050 1.00 0.33 C HETATM 1530 CMB HEM A 95 3.125 -0.425 8.094 1.00 0.33 C HETATM 1531 CAB HEM A 95 2.719 -1.126 5.060 1.00 0.46 C HETATM 1532 CBB HEM A 95 2.100 -2.270 5.420 1.00 0.93 C HETATM 1533 NC HEM A 95 7.906 -0.283 3.644 1.00 0.39 N HETATM 1534 C1C HEM A 95 6.706 -0.631 3.076 1.00 0.37 C HETATM 1535 C2C HEM A 95 6.928 -0.871 1.673 1.00 0.45 C HETATM 1536 C3C HEM A 95 8.237 -0.534 1.429 1.00 0.43 C HETATM 1537 C4C HEM A 95 8.881 -0.228 2.683 1.00 0.43 C HETATM 1538 CMC HEM A 95 5.930 -1.443 0.699 1.00 0.62 C HETATM 1539 CAC HEM A 95 8.937 -0.610 0.085 1.00 0.51 C HETATM 1540 CBC HEM A 95 8.336 -0.235 -1.066 1.00 0.69 C HETATM 1541 ND HEM A 95 10.238 0.241 5.344 1.00 0.69 N HETATM 1542 C1D HEM A 95 10.826 0.251 4.107 1.00 0.65 C HETATM 1543 C2D HEM A 95 12.221 0.547 4.305 1.00 0.82 C HETATM 1544 C3D HEM A 95 12.425 0.693 5.658 1.00 0.98 C HETATM 1545 C4D HEM A 95 11.161 0.462 6.318 1.00 0.90 C HETATM 1546 CMD HEM A 95 13.248 0.723 3.214 1.00 0.84 C HETATM 1547 CAD HEM A 95 13.731 1.050 6.331 1.00 1.18 C HETATM 1548 CBD HEM A 95 14.648 -0.139 6.652 1.00 1.22 C HETATM 1549 CGD HEM A 95 14.041 -1.491 6.288 1.00 2.46 C HETATM 1550 O1D HEM A 95 13.296 -2.035 7.133 1.00 3.58 O HETATM 1551 O2D HEM A 95 14.325 -1.950 5.161 1.00 3.54 O HETATM 0 HMA1 HEM A 95 8.025 -0.056 12.065 1.00 0.85 H new HETATM 0 HMA2 HEM A 95 6.482 -0.232 11.196 1.00 0.85 H new HETATM 0 HMA3 HEM A 95 7.140 1.389 11.523 1.00 0.85 H new HETATM 0 HMB1 HEM A 95 2.178 -0.113 7.654 1.00 0.33 H new HETATM 0 HMB2 HEM A 95 3.407 0.274 8.881 1.00 0.33 H new HETATM 0 HMB3 HEM A 95 3.017 -1.424 8.517 1.00 0.33 H new HETATM 0 HMC1 HEM A 95 5.255 -2.118 1.224 1.00 0.62 H new HETATM 0 HMC2 HEM A 95 6.457 -1.992 -0.082 1.00 0.62 H new HETATM 0 HMC3 HEM A 95 5.356 -0.633 0.249 1.00 0.62 H new HETATM 0 HMD1 HEM A 95 12.974 0.112 2.354 1.00 0.84 H new HETATM 0 HMD2 HEM A 95 14.226 0.413 3.582 1.00 0.84 H new HETATM 0 HMD3 HEM A 95 13.287 1.771 2.917 1.00 0.84 H new HETATM 0 HBB1 HEM A 95 1.162 -2.556 4.943 1.00 0.93 H new HETATM 0 HBB2 HEM A 95 2.538 -2.908 6.188 1.00 0.93 H new HETATM 0 HBC1 HEM A 95 8.875 -0.306 -2.011 1.00 0.69 H new HETATM 0 HBC2 HEM A 95 7.312 0.138 -1.050 1.00 0.69 H new HETATM 0 HBA1 HEM A 95 12.080 -0.973 9.926 1.00 1.23 H new HETATM 0 HBA2 HEM A 95 10.677 -1.836 10.523 1.00 1.23 H new HETATM 0 HAA1 HEM A 95 10.128 0.403 11.795 1.00 1.18 H new HETATM 0 HAA2 HEM A 95 11.268 1.135 10.684 1.00 1.18 H new HETATM 0 HBD1 HEM A 95 14.883 -0.130 7.716 1.00 1.22 H new HETATM 0 HBD2 HEM A 95 15.590 -0.016 6.117 1.00 1.22 H new HETATM 0 HAD1 HEM A 95 13.511 1.579 7.258 1.00 1.18 H new HETATM 0 HAD2 HEM A 95 14.274 1.744 5.689 1.00 1.18 H new HETATM 0 HHA HEM A 95 11.838 0.605 8.336 1.00 1.02 H new HETATM 0 HHB HEM A 95 5.503 0.107 9.345 1.00 0.42 H new HETATM 0 HHC HEM A 95 4.629 -1.076 3.094 1.00 0.37 H new HETATM 0 HHD HEM A 95 10.869 0.089 1.976 1.00 0.52 H new HETATM 0 HAB HEM A 95 2.276 -0.492 4.292 1.00 0.46 H new HETATM 0 HAC HEM A 95 9.961 -0.980 0.046 1.00 0.51 H new