USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HE2:sc= 0.926 K(o=0.93,f=-2.3!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 106 CYS SG : rot 159:sc= 1.41 USER MOD Set 2.2: A 110 SER OG : rot 81:sc= 0.938 USER MOD Set 3.1: A 52 SER OG : rot 160:sc= 0.963 USER MOD Set 3.2: A 58 CYS SG : rot 31:sc= 0.898 USER MOD Set 4.1: A 57 LYS NZ :NH3+ -163:sc= 0.61 (180deg=0) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 54 MET CE :methyl 157:sc= -0.217 (180deg=-0.938) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0437 (180deg=-0.312) USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= -0.854 (180deg=-6.09!) USER MOD Single : A 63 ASN : amide:sc= -0.657 K(o=-0.66,f=-9!) USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= 0.451 (180deg=0) USER MOD Single : A 74 CYS SG : rot 64:sc= -0.679 USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.897 (180deg=-1.08!) USER MOD Single : A 76 MET CE :methyl 173:sc= -3.25! (180deg=-3.66!) USER MOD Single : A 77 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.6) USER MOD Single : A 78 THR OG1 : rot -34:sc= 1.22 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.329 K(o=-0.33,f=-2.6) USER MOD Single : A 92 GLN : amide:sc= -0.559 K(o=-0.56,f=-6.3!) USER MOD Single : A 93 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.3) USER MOD Single : A 96 HIS : no HD1:sc= -6.61! C(o=-6.6!,f=-11!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 47:sc= 1.21 USER MOD Single : A 107 ASN : amide:sc=-0.000609 X(o=-0.00061,f=-0.29) USER MOD Single : A 114 SER OG : rot 101:sc= 1.25 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -29:sc= -2.34! USER MOD Single : A 128 ASN : amide:sc= 1.01 K(o=1,f=-0.75) USER MOD Single : A 131 CYS SG : rot -113:sc= -1.44 USER MOD Single : A 132 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -1.02 K(o=-1,f=0.22) USER MOD Single : A 138 SER OG : rot 39:sc= 1.23 USER MOD Single : A 140 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.171) USER MOD Single : A 141 LYS NZ :NH3+ -128:sc= -0.675 (180deg=-2.83!) USER MOD Single : A 142 LYS NZ :NH3+ 178:sc= 1.36 (180deg=1.31) USER MOD Single : A 144 ASN : amide:sc= -0.0608 K(o=-0.061,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -17.007 -1.066 9.716 1.00 11.48 N ATOM 2 CA GLY A 51 -18.306 -0.582 9.193 1.00 11.08 C ATOM 3 C GLY A 51 -18.406 -0.738 7.693 1.00 10.43 C ATOM 4 O GLY A 51 -18.420 0.250 6.955 1.00 10.45 O ATOM 0 HA2 GLY A 51 -19.117 -1.133 9.670 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -18.435 0.467 9.458 1.00 11.08 H new ATOM 10 N SER A 52 -18.479 -1.977 7.238 1.00 10.08 N ATOM 11 CA SER A 52 -18.559 -2.268 5.819 1.00 9.69 C ATOM 12 C SER A 52 -19.897 -2.920 5.482 1.00 9.02 C ATOM 13 O SER A 52 -19.974 -4.122 5.242 1.00 8.98 O ATOM 14 CB SER A 52 -17.387 -3.164 5.404 1.00 10.27 C ATOM 15 OG SER A 52 -17.188 -4.219 6.337 1.00 10.53 O ATOM 0 H SER A 52 -18.484 -2.803 7.837 1.00 10.08 H new ATOM 0 HA SER A 52 -18.494 -1.335 5.259 1.00 9.69 H new ATOM 0 HB2 SER A 52 -17.578 -3.581 4.415 1.00 10.27 H new ATOM 0 HB3 SER A 52 -16.479 -2.566 5.328 1.00 10.27 H new ATOM 0 HG SER A 52 -16.679 -4.940 5.912 1.00 10.53 H new ATOM 21 N HIS A 53 -20.951 -2.113 5.469 1.00 8.73 N ATOM 22 CA HIS A 53 -22.294 -2.620 5.224 1.00 8.32 C ATOM 23 C HIS A 53 -22.635 -2.528 3.738 1.00 7.73 C ATOM 24 O HIS A 53 -23.174 -3.469 3.149 1.00 7.87 O ATOM 25 CB HIS A 53 -23.317 -1.840 6.060 1.00 8.73 C ATOM 26 CG HIS A 53 -24.717 -2.362 5.947 1.00 9.23 C ATOM 27 ND1 HIS A 53 -25.735 -1.601 5.419 1.00 9.69 N ATOM 28 CD2 HIS A 53 -25.215 -3.565 6.320 1.00 9.62 C ATOM 29 CE1 HIS A 53 -26.819 -2.356 5.483 1.00 10.29 C ATOM 30 NE2 HIS A 53 -26.552 -3.552 6.021 1.00 10.28 N ATOM 0 H HIS A 53 -20.901 -1.106 5.625 1.00 8.73 H new ATOM 0 HA HIS A 53 -22.331 -3.668 5.521 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -23.013 -1.867 7.106 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -23.303 -0.795 5.751 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -24.664 -4.379 6.767 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -27.797 -2.046 5.144 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -27.217 -4.309 6.178 1.00 10.28 H new ATOM 38 N MET A 54 -22.295 -1.401 3.133 1.00 7.35 N ATOM 39 CA MET A 54 -22.580 -1.169 1.724 1.00 7.08 C ATOM 40 C MET A 54 -21.425 -1.658 0.859 1.00 6.25 C ATOM 41 O MET A 54 -20.897 -0.916 0.025 1.00 6.50 O ATOM 42 CB MET A 54 -22.835 0.320 1.455 1.00 7.61 C ATOM 43 CG MET A 54 -24.051 0.887 2.170 1.00 8.34 C ATOM 44 SD MET A 54 -23.778 1.168 3.933 1.00 8.78 S ATOM 45 CE MET A 54 -22.482 2.406 3.882 1.00 9.55 C ATOM 0 H MET A 54 -21.819 -0.628 3.598 1.00 7.35 H new ATOM 0 HA MET A 54 -23.479 -1.729 1.468 1.00 7.08 H new ATOM 0 HB2 MET A 54 -21.954 0.887 1.756 1.00 7.61 H new ATOM 0 HB3 MET A 54 -22.958 0.467 0.382 1.00 7.61 H new ATOM 0 HG2 MET A 54 -24.334 1.828 1.699 1.00 8.34 H new ATOM 0 HG3 MET A 54 -24.890 0.202 2.044 1.00 8.34 H new ATOM 0 HE1 MET A 54 -22.482 2.972 4.814 1.00 9.55 H new ATOM 0 HE2 MET A 54 -21.516 1.917 3.755 1.00 9.55 H new ATOM 0 HE3 MET A 54 -22.658 3.083 3.046 1.00 9.55 H new ATOM 55 N GLY A 55 -21.049 -2.912 1.045 1.00 5.61 N ATOM 56 CA GLY A 55 -19.925 -3.462 0.320 1.00 5.11 C ATOM 57 C GLY A 55 -20.001 -4.967 0.208 1.00 4.35 C ATOM 58 O GLY A 55 -20.639 -5.623 1.034 1.00 4.69 O ATOM 0 H GLY A 55 -21.504 -3.561 1.687 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -19.890 -3.026 -0.678 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -18.999 -3.183 0.822 1.00 5.11 H new ATOM 62 N LYS A 56 -19.363 -5.510 -0.818 1.00 3.64 N ATOM 63 CA LYS A 56 -19.338 -6.948 -1.031 1.00 3.11 C ATOM 64 C LYS A 56 -18.226 -7.588 -0.205 1.00 2.55 C ATOM 65 O LYS A 56 -18.455 -8.053 0.911 1.00 2.86 O ATOM 66 CB LYS A 56 -19.159 -7.265 -2.524 1.00 3.33 C ATOM 67 CG LYS A 56 -18.938 -8.742 -2.828 1.00 3.32 C ATOM 68 CD LYS A 56 -18.944 -9.013 -4.325 1.00 4.10 C ATOM 69 CE LYS A 56 -18.808 -10.500 -4.625 1.00 4.54 C ATOM 70 NZ LYS A 56 -19.939 -11.286 -4.062 1.00 5.01 N ATOM 0 H LYS A 56 -18.853 -4.972 -1.519 1.00 3.64 H new ATOM 0 HA LYS A 56 -20.290 -7.366 -0.705 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -20.041 -6.923 -3.065 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -18.311 -6.696 -2.905 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -17.987 -9.063 -2.403 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -19.717 -9.333 -2.348 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -19.870 -8.636 -4.760 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -18.126 -8.469 -4.797 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -18.763 -10.650 -5.704 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -17.869 -10.869 -4.213 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -19.962 -12.227 -4.504 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -19.813 -11.389 -3.035 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -20.834 -10.792 -4.253 1.00 5.01 H new ATOM 84 N LYS A 57 -17.026 -7.605 -0.754 1.00 2.28 N ATOM 85 CA LYS A 57 -15.887 -8.178 -0.071 1.00 1.87 C ATOM 86 C LYS A 57 -14.975 -7.085 0.453 1.00 1.72 C ATOM 87 O LYS A 57 -14.336 -6.373 -0.322 1.00 2.48 O ATOM 88 CB LYS A 57 -15.122 -9.088 -1.016 1.00 1.84 C ATOM 89 CG LYS A 57 -15.253 -10.567 -0.697 1.00 2.16 C ATOM 90 CD LYS A 57 -14.134 -11.367 -1.348 1.00 2.61 C ATOM 91 CE LYS A 57 -14.032 -11.095 -2.841 1.00 3.28 C ATOM 92 NZ LYS A 57 -12.838 -11.747 -3.439 1.00 3.67 N ATOM 0 H LYS A 57 -16.817 -7.225 -1.677 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.246 -8.763 0.776 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -15.473 -8.915 -2.033 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.067 -8.814 -0.992 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -15.229 -10.713 0.383 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -16.218 -10.934 -1.047 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.186 -11.120 -0.869 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -14.307 -12.431 -1.184 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -14.932 -11.457 -3.339 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -13.983 -10.020 -3.012 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -12.637 -11.320 -4.366 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -12.019 -11.615 -2.811 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -13.021 -12.764 -3.559 1.00 3.67 H new ATOM 106 N CYS A 58 -14.917 -6.950 1.764 1.00 1.35 N ATOM 107 CA CYS A 58 -14.087 -5.937 2.375 1.00 1.14 C ATOM 108 C CYS A 58 -12.754 -6.530 2.811 1.00 0.88 C ATOM 109 O CYS A 58 -12.688 -7.658 3.311 1.00 1.38 O ATOM 110 CB CYS A 58 -14.818 -5.307 3.562 1.00 1.36 C ATOM 111 SG CYS A 58 -15.480 -6.503 4.742 1.00 1.88 S ATOM 0 H CYS A 58 -15.435 -7.530 2.424 1.00 1.35 H new ATOM 0 HA CYS A 58 -13.884 -5.158 1.641 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -14.132 -4.640 4.084 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.636 -4.693 3.186 1.00 1.36 H new ATOM 0 HG CYS A 58 -14.716 -7.555 4.769 1.00 1.88 H new ATOM 117 N TYR A 59 -11.697 -5.766 2.601 1.00 0.42 N ATOM 118 CA TYR A 59 -10.355 -6.185 2.974 1.00 0.31 C ATOM 119 C TYR A 59 -9.688 -5.138 3.844 1.00 0.30 C ATOM 120 O TYR A 59 -8.480 -5.033 3.838 1.00 0.33 O ATOM 121 CB TYR A 59 -9.487 -6.435 1.746 1.00 0.67 C ATOM 122 CG TYR A 59 -9.878 -7.661 0.964 1.00 1.01 C ATOM 123 CD1 TYR A 59 -10.867 -7.579 0.015 1.00 1.22 C ATOM 124 CD2 TYR A 59 -9.257 -8.886 1.165 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.241 -8.676 -0.731 1.00 1.56 C ATOM 126 CE2 TYR A 59 -9.618 -9.995 0.430 1.00 1.58 C ATOM 127 CZ TYR A 59 -10.612 -9.887 -0.521 1.00 1.66 C ATOM 128 OH TYR A 59 -10.970 -10.987 -1.270 1.00 2.04 O ATOM 0 H TYR A 59 -11.742 -4.843 2.170 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.454 -7.116 3.532 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.541 -5.565 1.091 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.448 -6.532 2.061 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.363 -6.634 -0.151 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -8.479 -8.972 1.909 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -12.020 -8.589 -1.474 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -9.126 -10.942 0.597 1.00 1.58 H new ATOM 0 HH TYR A 59 -10.430 -11.758 -0.997 1.00 2.04 H new ATOM 138 N LYS A 60 -10.469 -4.358 4.581 1.00 0.29 N ATOM 139 CA LYS A 60 -9.904 -3.289 5.408 1.00 0.29 C ATOM 140 C LYS A 60 -8.844 -3.838 6.360 1.00 0.25 C ATOM 141 O LYS A 60 -7.697 -3.405 6.336 1.00 0.26 O ATOM 142 CB LYS A 60 -11.034 -2.596 6.189 1.00 0.37 C ATOM 143 CG LYS A 60 -10.584 -1.490 7.138 1.00 0.57 C ATOM 144 CD LYS A 60 -10.121 -2.046 8.470 1.00 0.43 C ATOM 145 CE LYS A 60 -9.812 -0.939 9.453 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.750 -0.029 8.952 1.00 1.62 N ATOM 0 H LYS A 60 -11.485 -4.440 4.626 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.417 -2.559 4.761 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.742 -2.175 5.475 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.572 -3.350 6.764 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.773 -0.924 6.679 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.407 -0.794 7.301 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.893 -2.696 8.883 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.233 -2.660 8.321 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.718 -0.365 9.649 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.498 -1.374 10.402 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -7.925 -0.078 9.583 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.470 -0.317 7.993 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.111 0.946 8.929 1.00 1.62 H new ATOM 160 N LEU A 61 -9.225 -4.814 7.170 1.00 0.25 N ATOM 161 CA LEU A 61 -8.286 -5.458 8.064 1.00 0.25 C ATOM 162 C LEU A 61 -7.104 -5.999 7.299 1.00 0.26 C ATOM 163 O LEU A 61 -5.949 -5.803 7.675 1.00 0.30 O ATOM 164 CB LEU A 61 -8.959 -6.598 8.795 1.00 0.30 C ATOM 165 CG LEU A 61 -8.983 -6.433 10.309 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.213 -7.768 10.992 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.701 -5.766 10.808 1.00 0.63 C ATOM 0 H LEU A 61 -10.178 -5.174 7.224 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.940 -4.713 8.780 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.983 -6.694 8.434 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.446 -7.528 8.549 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.816 -5.779 10.567 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.226 -7.626 12.073 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.168 -8.182 10.669 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.410 -8.456 10.726 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.744 -5.660 11.892 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.842 -6.380 10.537 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.601 -4.781 10.351 1.00 0.63 H new ATOM 179 N GLU A 62 -7.426 -6.681 6.227 1.00 0.25 N ATOM 180 CA GLU A 62 -6.454 -7.264 5.351 1.00 0.29 C ATOM 181 C GLU A 62 -5.467 -6.242 4.822 1.00 0.23 C ATOM 182 O GLU A 62 -4.263 -6.448 4.897 1.00 0.20 O ATOM 183 CB GLU A 62 -7.195 -7.922 4.219 1.00 0.39 C ATOM 184 CG GLU A 62 -7.418 -9.382 4.468 1.00 0.63 C ATOM 185 CD GLU A 62 -8.396 -9.640 5.596 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.614 -9.465 5.384 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.952 -10.035 6.694 1.00 2.20 O ATOM 0 H GLU A 62 -8.390 -6.846 5.939 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.865 -7.994 5.906 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.156 -7.427 4.079 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.632 -7.794 3.294 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.790 -9.849 3.556 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.465 -9.856 4.703 1.00 0.63 H new ATOM 194 N ASN A 63 -5.984 -5.144 4.312 1.00 0.22 N ATOM 195 CA ASN A 63 -5.178 -4.145 3.644 1.00 0.19 C ATOM 196 C ASN A 63 -4.347 -3.365 4.634 1.00 0.15 C ATOM 197 O ASN A 63 -3.181 -3.082 4.372 1.00 0.16 O ATOM 198 CB ASN A 63 -6.070 -3.208 2.841 1.00 0.21 C ATOM 199 CG ASN A 63 -6.715 -3.904 1.663 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.176 -4.863 1.126 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.878 -3.421 1.255 1.00 0.27 N ATOM 0 H ASN A 63 -6.978 -4.919 4.349 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.495 -4.654 2.964 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.846 -2.802 3.490 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.480 -2.364 2.484 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.359 -3.850 0.465 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.293 -2.620 1.731 1.00 0.27 H new ATOM 208 N GLU A 64 -4.941 -3.015 5.764 1.00 0.15 N ATOM 209 CA GLU A 64 -4.214 -2.478 6.870 1.00 0.16 C ATOM 210 C GLU A 64 -3.021 -3.351 7.196 1.00 0.14 C ATOM 211 O GLU A 64 -1.879 -2.893 7.219 1.00 0.17 O ATOM 212 CB GLU A 64 -5.151 -2.435 8.037 1.00 0.21 C ATOM 213 CG GLU A 64 -5.929 -1.154 8.104 1.00 0.30 C ATOM 214 CD GLU A 64 -6.431 -0.602 6.787 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.597 -0.120 5.996 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.638 -0.728 6.507 1.00 1.75 O ATOM 0 H GLU A 64 -5.944 -3.101 5.926 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.840 -1.482 6.632 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.844 -3.274 7.973 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.583 -2.560 8.959 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.787 -1.309 8.759 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.301 -0.397 8.575 1.00 0.30 H new ATOM 223 N LYS A 65 -3.316 -4.621 7.404 1.00 0.13 N ATOM 224 CA LYS A 65 -2.355 -5.595 7.787 1.00 0.14 C ATOM 225 C LYS A 65 -1.300 -5.808 6.700 1.00 0.12 C ATOM 226 O LYS A 65 -0.105 -5.775 6.975 1.00 0.14 O ATOM 227 CB LYS A 65 -3.118 -6.849 8.081 1.00 0.20 C ATOM 228 CG LYS A 65 -2.262 -8.047 8.204 1.00 0.44 C ATOM 229 CD LYS A 65 -1.297 -7.946 9.369 1.00 0.86 C ATOM 230 CE LYS A 65 -0.443 -9.191 9.484 1.00 1.32 C ATOM 231 NZ LYS A 65 0.566 -9.063 10.568 1.00 1.93 N ATOM 0 H LYS A 65 -4.259 -4.996 7.304 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.799 -5.268 8.666 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.677 -6.716 9.007 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.848 -7.014 7.289 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.890 -8.929 8.331 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.700 -8.186 7.280 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.657 -7.074 9.239 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.854 -7.798 10.294 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -1.080 -10.054 9.679 1.00 1.32 H new ATOM 0 HE3 LYS A 65 0.062 -9.376 8.536 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 1.507 -8.917 10.151 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.325 -8.252 11.172 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 0.572 -9.931 11.141 1.00 1.93 H new ATOM 245 N LEU A 66 -1.750 -6.021 5.468 1.00 0.11 N ATOM 246 CA LEU A 66 -0.849 -6.198 4.332 1.00 0.10 C ATOM 247 C LEU A 66 0.033 -4.977 4.156 1.00 0.08 C ATOM 248 O LEU A 66 1.222 -5.094 3.868 1.00 0.08 O ATOM 249 CB LEU A 66 -1.644 -6.444 3.052 1.00 0.10 C ATOM 250 CG LEU A 66 -2.421 -7.752 3.013 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.348 -7.789 1.811 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.453 -8.917 2.986 1.00 0.17 C ATOM 0 H LEU A 66 -2.740 -6.076 5.229 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.219 -7.065 4.532 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.344 -5.620 2.914 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.956 -6.423 2.207 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.037 -7.828 3.909 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.894 -8.732 1.802 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.055 -6.961 1.871 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.762 -7.700 0.896 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.011 -9.853 2.958 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.821 -8.845 2.101 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.829 -8.893 3.880 1.00 0.17 H new ATOM 264 N PHE A 67 -0.560 -3.807 4.329 1.00 0.07 N ATOM 265 CA PHE A 67 0.182 -2.569 4.292 1.00 0.06 C ATOM 266 C PHE A 67 1.301 -2.597 5.322 1.00 0.06 C ATOM 267 O PHE A 67 2.427 -2.220 5.025 1.00 0.07 O ATOM 268 CB PHE A 67 -0.744 -1.381 4.546 1.00 0.08 C ATOM 269 CG PHE A 67 -0.027 -0.075 4.518 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.797 0.230 3.457 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.165 0.838 5.547 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.479 1.432 3.416 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.509 2.038 5.512 1.00 0.12 C ATOM 274 CZ PHE A 67 1.332 2.333 4.445 1.00 0.09 C ATOM 0 H PHE A 67 -1.560 -3.694 4.497 1.00 0.07 H new ATOM 0 HA PHE A 67 0.621 -2.457 3.300 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.533 -1.374 3.794 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.228 -1.504 5.515 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.911 -0.477 2.649 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.807 0.608 6.385 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.124 1.662 2.581 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.394 2.747 6.318 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.862 3.274 4.417 1.00 0.09 H new ATOM 284 N GLU A 68 0.981 -3.059 6.524 1.00 0.08 N ATOM 285 CA GLU A 68 1.983 -3.216 7.571 1.00 0.09 C ATOM 286 C GLU A 68 3.037 -4.208 7.142 1.00 0.10 C ATOM 287 O GLU A 68 4.219 -3.956 7.291 1.00 0.12 O ATOM 288 CB GLU A 68 1.363 -3.715 8.870 1.00 0.14 C ATOM 289 CG GLU A 68 0.180 -2.909 9.330 1.00 0.21 C ATOM 290 CD GLU A 68 -0.286 -3.308 10.712 1.00 0.87 C ATOM 291 OE1 GLU A 68 0.407 -2.969 11.697 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.339 -3.965 10.825 1.00 1.47 O ATOM 0 H GLU A 68 0.037 -3.331 6.798 1.00 0.08 H new ATOM 0 HA GLU A 68 2.426 -2.234 7.739 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.055 -4.752 8.739 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.123 -3.705 9.651 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.442 -1.851 9.329 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.640 -3.035 8.623 1.00 0.21 H new ATOM 299 N GLU A 69 2.595 -5.326 6.590 1.00 0.10 N ATOM 300 CA GLU A 69 3.503 -6.386 6.156 1.00 0.12 C ATOM 301 C GLU A 69 4.538 -5.833 5.192 1.00 0.11 C ATOM 302 O GLU A 69 5.711 -6.213 5.215 1.00 0.14 O ATOM 303 CB GLU A 69 2.716 -7.481 5.451 1.00 0.15 C ATOM 304 CG GLU A 69 1.681 -8.166 6.315 1.00 0.25 C ATOM 305 CD GLU A 69 2.291 -9.144 7.291 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.494 -10.318 6.920 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.579 -8.735 8.435 1.00 1.21 O ATOM 0 H GLU A 69 1.608 -5.528 6.429 1.00 0.10 H new ATOM 0 HA GLU A 69 4.004 -6.792 7.035 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.218 -7.051 4.582 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.414 -8.231 5.079 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.118 -7.413 6.866 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.971 -8.691 5.676 1.00 0.25 H new ATOM 314 N PHE A 70 4.075 -4.932 4.351 1.00 0.09 N ATOM 315 CA PHE A 70 4.892 -4.300 3.359 1.00 0.09 C ATOM 316 C PHE A 70 5.702 -3.178 4.008 1.00 0.08 C ATOM 317 O PHE A 70 6.883 -3.000 3.721 1.00 0.10 O ATOM 318 CB PHE A 70 3.977 -3.775 2.257 1.00 0.09 C ATOM 319 CG PHE A 70 4.686 -3.127 1.121 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.083 -1.819 1.227 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.943 -3.819 -0.050 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.733 -1.193 0.193 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.598 -3.201 -1.097 1.00 0.13 C ATOM 324 CZ PHE A 70 5.993 -1.882 -0.975 1.00 0.13 C ATOM 0 H PHE A 70 3.104 -4.619 4.344 1.00 0.09 H new ATOM 0 HA PHE A 70 5.600 -5.004 2.922 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.381 -4.603 1.872 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.281 -3.057 2.691 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.881 -1.274 2.137 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.629 -4.848 -0.145 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.041 -0.163 0.293 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.801 -3.746 -2.007 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.503 -1.392 -1.791 1.00 0.13 H new ATOM 334 N LEU A 71 5.041 -2.427 4.884 1.00 0.07 N ATOM 335 CA LEU A 71 5.663 -1.346 5.625 1.00 0.08 C ATOM 336 C LEU A 71 6.819 -1.824 6.494 1.00 0.08 C ATOM 337 O LEU A 71 7.930 -1.305 6.402 1.00 0.09 O ATOM 338 CB LEU A 71 4.628 -0.642 6.489 1.00 0.09 C ATOM 339 CG LEU A 71 4.076 0.632 5.877 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.505 1.542 6.934 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.161 1.339 5.121 1.00 0.10 C ATOM 0 H LEU A 71 4.052 -2.556 5.098 1.00 0.07 H new ATOM 0 HA LEU A 71 6.072 -0.650 4.892 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.803 -1.328 6.681 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.076 -0.405 7.454 1.00 0.09 H new ATOM 0 HG LEU A 71 3.270 0.364 5.194 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.117 2.446 6.465 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.698 1.030 7.457 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.287 1.809 7.645 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.762 2.254 4.682 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.976 1.588 5.801 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.535 0.690 4.329 1.00 0.10 H new ATOM 353 N GLU A 72 6.539 -2.794 7.354 1.00 0.08 N ATOM 354 CA GLU A 72 7.564 -3.391 8.209 1.00 0.11 C ATOM 355 C GLU A 72 8.711 -3.901 7.353 1.00 0.09 C ATOM 356 O GLU A 72 9.882 -3.756 7.699 1.00 0.12 O ATOM 357 CB GLU A 72 6.998 -4.546 9.028 1.00 0.19 C ATOM 358 CG GLU A 72 5.712 -4.194 9.736 1.00 0.26 C ATOM 359 CD GLU A 72 5.860 -3.102 10.773 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.991 -2.846 11.228 1.00 0.89 O ATOM 361 OE2 GLU A 72 4.839 -2.474 11.120 1.00 1.13 O ATOM 0 H GLU A 72 5.607 -3.188 7.480 1.00 0.08 H new ATOM 0 HA GLU A 72 7.920 -2.622 8.895 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.823 -5.398 8.371 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.738 -4.858 9.765 1.00 0.19 H new ATOM 0 HG2 GLU A 72 4.976 -3.881 8.996 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.318 -5.088 10.219 1.00 0.26 H new ATOM 368 N LEU A 73 8.343 -4.504 6.228 1.00 0.10 N ATOM 369 CA LEU A 73 9.306 -4.943 5.226 1.00 0.11 C ATOM 370 C LEU A 73 10.167 -3.777 4.780 1.00 0.10 C ATOM 371 O LEU A 73 11.389 -3.862 4.812 1.00 0.12 O ATOM 372 CB LEU A 73 8.566 -5.528 4.021 1.00 0.14 C ATOM 373 CG LEU A 73 9.440 -5.948 2.838 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.023 -7.331 3.055 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.644 -5.895 1.547 1.00 0.46 C ATOM 0 H LEU A 73 7.372 -4.702 5.986 1.00 0.10 H new ATOM 0 HA LEU A 73 9.947 -5.708 5.664 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.999 -6.397 4.355 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.844 -4.791 3.670 1.00 0.14 H new ATOM 0 HG LEU A 73 10.270 -5.245 2.761 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.640 -7.604 2.199 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.634 -7.331 3.957 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.214 -8.054 3.165 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.280 -6.197 0.715 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.792 -6.572 1.617 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.287 -4.879 1.381 1.00 0.46 H new ATOM 387 N CYS A 74 9.524 -2.692 4.371 1.00 0.09 N ATOM 388 CA CYS A 74 10.246 -1.490 3.968 1.00 0.10 C ATOM 389 C CYS A 74 11.219 -1.054 5.056 1.00 0.11 C ATOM 390 O CYS A 74 12.380 -0.806 4.771 1.00 0.14 O ATOM 391 CB CYS A 74 9.281 -0.357 3.623 1.00 0.10 C ATOM 392 SG CYS A 74 8.165 -0.749 2.264 1.00 0.11 S ATOM 0 H CYS A 74 8.509 -2.618 4.309 1.00 0.09 H new ATOM 0 HA CYS A 74 10.818 -1.729 3.071 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.692 -0.111 4.506 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.856 0.533 3.365 1.00 0.10 H new ATOM 0 HG CYS A 74 7.387 -1.731 2.611 1.00 0.11 H new ATOM 398 N LYS A 75 10.775 -1.040 6.311 1.00 0.11 N ATOM 399 CA LYS A 75 11.641 -0.647 7.421 1.00 0.12 C ATOM 400 C LYS A 75 12.903 -1.511 7.456 1.00 0.13 C ATOM 401 O LYS A 75 13.935 -1.112 7.995 1.00 0.16 O ATOM 402 CB LYS A 75 10.890 -0.797 8.743 1.00 0.13 C ATOM 403 CG LYS A 75 9.603 -0.016 8.809 1.00 0.18 C ATOM 404 CD LYS A 75 8.835 -0.378 10.058 1.00 0.20 C ATOM 405 CE LYS A 75 7.472 0.275 10.076 1.00 0.30 C ATOM 406 NZ LYS A 75 6.687 -0.111 11.278 1.00 0.32 N ATOM 0 H LYS A 75 9.826 -1.295 6.584 1.00 0.11 H new ATOM 0 HA LYS A 75 11.930 0.394 7.277 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.671 -1.852 8.907 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.540 -0.476 9.557 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.817 1.053 8.802 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.997 -0.225 7.928 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.722 -1.461 10.117 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.400 -0.068 10.937 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.588 1.358 10.051 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.923 -0.007 9.178 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.673 -0.099 11.049 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.962 -1.067 11.580 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 6.876 0.563 12.047 1.00 0.32 H new ATOM 420 N MET A 76 12.796 -2.698 6.872 1.00 0.12 N ATOM 421 CA MET A 76 13.886 -3.660 6.843 1.00 0.13 C ATOM 422 C MET A 76 14.815 -3.435 5.648 1.00 0.14 C ATOM 423 O MET A 76 16.037 -3.528 5.781 1.00 0.16 O ATOM 424 CB MET A 76 13.312 -5.082 6.818 1.00 0.14 C ATOM 425 CG MET A 76 12.519 -5.431 8.066 1.00 0.15 C ATOM 426 SD MET A 76 12.167 -7.192 8.216 1.00 0.21 S ATOM 427 CE MET A 76 11.064 -7.442 6.833 1.00 0.40 C ATOM 0 H MET A 76 11.948 -3.020 6.405 1.00 0.12 H new ATOM 0 HA MET A 76 14.485 -3.523 7.743 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.669 -5.192 5.945 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.129 -5.794 6.704 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.074 -5.102 8.945 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.579 -4.879 8.057 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.858 -8.506 6.720 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.130 -6.909 7.011 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.530 -7.064 5.923 1.00 0.40 H new ATOM 437 N GLN A 77 14.250 -3.124 4.483 1.00 0.14 N ATOM 438 CA GLN A 77 15.038 -3.017 3.263 1.00 0.15 C ATOM 439 C GLN A 77 15.306 -1.567 2.846 1.00 0.16 C ATOM 440 O GLN A 77 16.178 -1.315 2.013 1.00 0.22 O ATOM 441 CB GLN A 77 14.352 -3.759 2.115 1.00 0.19 C ATOM 442 CG GLN A 77 13.001 -4.362 2.454 1.00 0.21 C ATOM 443 CD GLN A 77 12.925 -5.832 2.112 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.575 -6.206 0.997 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.230 -6.672 3.086 1.00 0.25 N ATOM 0 H GLN A 77 13.254 -2.943 4.361 1.00 0.14 H new ATOM 0 HA GLN A 77 16.002 -3.476 3.482 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.225 -3.069 1.281 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.012 -4.556 1.772 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.803 -4.228 3.517 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.221 -3.825 1.914 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.516 -6.314 3.997 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.179 -7.678 2.926 1.00 0.25 H new ATOM 454 N THR A 78 14.588 -0.612 3.428 1.00 0.17 N ATOM 455 CA THR A 78 14.744 0.784 3.043 1.00 0.22 C ATOM 456 C THR A 78 15.424 1.565 4.153 1.00 0.30 C ATOM 457 O THR A 78 14.964 2.634 4.536 1.00 0.32 O ATOM 458 CB THR A 78 13.401 1.486 2.701 1.00 0.17 C ATOM 459 OG1 THR A 78 12.574 1.610 3.863 1.00 0.14 O ATOM 460 CG2 THR A 78 12.639 0.733 1.632 1.00 0.22 C ATOM 0 H THR A 78 13.899 -0.778 4.161 1.00 0.17 H new ATOM 0 HA THR A 78 15.354 0.775 2.140 1.00 0.22 H new ATOM 0 HB THR A 78 13.650 2.479 2.327 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.714 0.836 4.448 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.705 1.252 1.417 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.241 0.680 0.725 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.421 -0.276 1.983 1.00 0.22 H new ATOM 468 N ALA A 79 16.508 1.029 4.691 1.00 0.38 N ATOM 469 CA ALA A 79 17.286 1.743 5.694 1.00 0.50 C ATOM 470 C ALA A 79 17.759 3.089 5.164 1.00 0.52 C ATOM 471 O ALA A 79 17.909 4.054 5.913 1.00 0.55 O ATOM 472 CB ALA A 79 18.474 0.907 6.106 1.00 0.67 C ATOM 0 H ALA A 79 16.869 0.105 4.452 1.00 0.38 H new ATOM 0 HA ALA A 79 16.648 1.924 6.559 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.054 1.444 6.856 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.127 -0.038 6.524 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.100 0.711 5.236 1.00 0.67 H new ATOM 478 N ASP A 80 17.987 3.133 3.859 1.00 0.53 N ATOM 479 CA ASP A 80 18.432 4.344 3.188 1.00 0.57 C ATOM 480 C ASP A 80 17.262 5.294 2.980 1.00 0.52 C ATOM 481 O ASP A 80 17.437 6.490 2.755 1.00 0.57 O ATOM 482 CB ASP A 80 19.054 3.980 1.838 1.00 0.65 C ATOM 483 CG ASP A 80 19.559 5.182 1.066 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.610 5.743 1.440 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.920 5.557 0.062 1.00 1.46 O ATOM 0 H ASP A 80 17.869 2.332 3.238 1.00 0.53 H new ATOM 0 HA ASP A 80 19.177 4.841 3.809 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.881 3.289 2.002 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.314 3.455 1.235 1.00 0.65 H new ATOM 490 N HIS A 81 16.065 4.743 3.066 1.00 0.43 N ATOM 491 CA HIS A 81 14.846 5.528 2.912 1.00 0.38 C ATOM 492 C HIS A 81 13.862 5.239 4.030 1.00 0.29 C ATOM 493 O HIS A 81 12.800 4.668 3.793 1.00 0.23 O ATOM 494 CB HIS A 81 14.166 5.254 1.571 1.00 0.41 C ATOM 495 CG HIS A 81 14.818 5.919 0.402 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.389 7.121 -0.119 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.846 5.522 -0.378 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.119 7.423 -1.171 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.013 6.470 -1.356 1.00 0.86 N ATOM 0 H HIS A 81 15.907 3.751 3.242 1.00 0.43 H new ATOM 0 HA HIS A 81 15.143 6.576 2.952 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.149 4.178 1.399 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.129 5.584 1.629 1.00 0.41 H new ATOM 0 HD1 HIS A 81 13.626 7.687 0.252 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.430 4.622 -0.255 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.005 8.306 -1.783 1.00 1.08 H new ATOM 508 N PRO A 82 14.185 5.629 5.267 1.00 0.32 N ATOM 509 CA PRO A 82 13.279 5.457 6.392 1.00 0.29 C ATOM 510 C PRO A 82 12.083 6.391 6.279 1.00 0.26 C ATOM 511 O PRO A 82 11.127 6.290 7.034 1.00 0.29 O ATOM 512 CB PRO A 82 14.132 5.802 7.608 1.00 0.38 C ATOM 513 CG PRO A 82 15.230 6.660 7.096 1.00 0.44 C ATOM 514 CD PRO A 82 15.455 6.259 5.668 1.00 0.41 C ATOM 0 HA PRO A 82 12.863 4.451 6.445 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.545 6.326 8.363 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.526 4.901 8.079 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.962 7.714 7.165 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.137 6.522 7.685 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.687 7.122 5.043 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.291 5.565 5.576 1.00 0.41 H new ATOM 522 N GLU A 83 12.167 7.289 5.307 1.00 0.23 N ATOM 523 CA GLU A 83 11.092 8.215 4.975 1.00 0.21 C ATOM 524 C GLU A 83 10.006 7.504 4.170 1.00 0.17 C ATOM 525 O GLU A 83 8.864 7.953 4.105 1.00 0.18 O ATOM 526 CB GLU A 83 11.666 9.351 4.143 1.00 0.28 C ATOM 527 CG GLU A 83 11.887 8.922 2.714 1.00 0.46 C ATOM 528 CD GLU A 83 12.813 9.817 1.923 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.183 10.904 2.415 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.206 9.411 0.812 1.00 0.95 O ATOM 0 H GLU A 83 12.994 7.397 4.719 1.00 0.23 H new ATOM 0 HA GLU A 83 10.653 8.600 5.895 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.987 10.203 4.169 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.610 9.682 4.576 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.292 7.910 2.711 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.923 8.881 2.208 1.00 0.46 H new ATOM 537 N VAL A 84 10.386 6.393 3.559 1.00 0.15 N ATOM 538 CA VAL A 84 9.517 5.651 2.676 1.00 0.14 C ATOM 539 C VAL A 84 8.297 5.126 3.409 1.00 0.11 C ATOM 540 O VAL A 84 7.190 5.178 2.892 1.00 0.11 O ATOM 541 CB VAL A 84 10.311 4.512 2.004 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.481 3.269 1.834 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.857 4.984 0.667 1.00 0.21 C ATOM 0 H VAL A 84 11.314 5.983 3.666 1.00 0.15 H new ATOM 0 HA VAL A 84 9.149 6.323 1.900 1.00 0.14 H new ATOM 0 HB VAL A 84 11.142 4.250 2.659 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.080 2.494 1.357 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.146 2.919 2.810 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.615 3.492 1.211 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.417 4.176 0.197 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.031 5.277 0.020 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.516 5.838 0.824 1.00 0.21 H new ATOM 553 N VAL A 85 8.508 4.643 4.615 1.00 0.09 N ATOM 554 CA VAL A 85 7.420 4.171 5.439 1.00 0.09 C ATOM 555 C VAL A 85 6.436 5.291 5.781 1.00 0.10 C ATOM 556 O VAL A 85 5.251 5.145 5.544 1.00 0.10 O ATOM 557 CB VAL A 85 7.954 3.498 6.702 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.838 3.276 7.699 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.641 2.203 6.316 1.00 0.11 C ATOM 0 H VAL A 85 9.429 4.568 5.047 1.00 0.09 H new ATOM 0 HA VAL A 85 6.868 3.428 4.863 1.00 0.09 H new ATOM 0 HB VAL A 85 8.685 4.144 7.189 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.238 2.796 8.592 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.396 4.235 7.970 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.075 2.637 7.255 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.026 1.715 7.211 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.926 1.545 5.823 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.466 2.417 5.636 1.00 0.11 H new ATOM 569 N PRO A 86 6.902 6.406 6.362 1.00 0.12 N ATOM 570 CA PRO A 86 6.072 7.589 6.570 1.00 0.14 C ATOM 571 C PRO A 86 5.357 8.034 5.293 1.00 0.14 C ATOM 572 O PRO A 86 4.190 8.397 5.334 1.00 0.18 O ATOM 573 CB PRO A 86 7.039 8.676 7.031 1.00 0.18 C ATOM 574 CG PRO A 86 8.360 8.019 7.246 1.00 0.18 C ATOM 575 CD PRO A 86 8.241 6.561 6.913 1.00 0.14 C ATOM 0 HA PRO A 86 5.284 7.382 7.294 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.118 9.465 6.283 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.686 9.142 7.951 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.120 8.487 6.620 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.679 8.144 8.281 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.001 6.258 6.193 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.377 5.942 7.800 1.00 0.14 H new ATOM 583 N PHE A 87 6.062 7.981 4.160 1.00 0.13 N ATOM 584 CA PHE A 87 5.498 8.343 2.861 1.00 0.14 C ATOM 585 C PHE A 87 4.434 7.331 2.465 1.00 0.12 C ATOM 586 O PHE A 87 3.395 7.677 1.896 1.00 0.12 O ATOM 587 CB PHE A 87 6.620 8.364 1.809 1.00 0.18 C ATOM 588 CG PHE A 87 6.234 8.926 0.467 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.984 9.472 0.258 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.136 8.907 -0.583 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.633 9.992 -0.972 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.795 9.424 -1.818 1.00 1.01 C ATOM 593 CZ PHE A 87 5.541 9.967 -2.012 1.00 0.69 C ATOM 0 H PHE A 87 7.038 7.686 4.119 1.00 0.13 H new ATOM 0 HA PHE A 87 5.041 9.331 2.922 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.453 8.946 2.202 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.982 7.346 1.667 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.270 9.493 1.068 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.118 8.483 -0.435 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.651 10.417 -1.120 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.508 9.403 -2.629 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.270 10.372 -2.976 1.00 0.69 H new ATOM 603 N LEU A 88 4.679 6.093 2.843 1.00 0.10 N ATOM 604 CA LEU A 88 3.797 5.004 2.523 1.00 0.09 C ATOM 605 C LEU A 88 2.576 5.127 3.385 1.00 0.08 C ATOM 606 O LEU A 88 1.436 5.085 2.916 1.00 0.09 O ATOM 607 CB LEU A 88 4.490 3.686 2.839 1.00 0.09 C ATOM 608 CG LEU A 88 5.026 2.918 1.649 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.885 1.773 2.122 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.889 2.390 0.807 1.00 0.10 C ATOM 0 H LEU A 88 5.500 5.819 3.383 1.00 0.10 H new ATOM 0 HA LEU A 88 3.529 5.032 1.467 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.317 3.887 3.520 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.786 3.047 3.372 1.00 0.09 H new ATOM 0 HG LEU A 88 5.628 3.593 1.041 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.267 1.225 1.261 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.720 2.161 2.705 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.289 1.104 2.743 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.291 1.841 -0.044 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.269 1.725 1.408 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.285 3.223 0.448 1.00 0.10 H new ATOM 622 N TYR A 89 2.856 5.297 4.664 1.00 0.08 N ATOM 623 CA TYR A 89 1.857 5.427 5.673 1.00 0.09 C ATOM 624 C TYR A 89 0.943 6.585 5.341 1.00 0.09 C ATOM 625 O TYR A 89 -0.270 6.453 5.329 1.00 0.11 O ATOM 626 CB TYR A 89 2.542 5.674 7.018 1.00 0.10 C ATOM 627 CG TYR A 89 2.183 4.656 8.043 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.885 4.238 8.141 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.128 4.107 8.890 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.506 3.294 9.051 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.772 3.155 9.818 1.00 0.20 C ATOM 632 CZ TYR A 89 1.450 2.743 9.897 1.00 0.22 C ATOM 633 OH TYR A 89 1.077 1.781 10.809 1.00 0.27 O ATOM 0 H TYR A 89 3.809 5.348 5.024 1.00 0.08 H new ATOM 0 HA TYR A 89 1.263 4.514 5.725 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.623 5.674 6.876 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.268 6.664 7.384 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.142 4.665 7.483 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.157 4.429 8.823 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.525 2.979 9.110 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.515 2.733 10.478 1.00 0.20 H new ATOM 0 HH TYR A 89 1.861 1.498 11.325 1.00 0.27 H new ATOM 643 N ASN A 90 1.573 7.705 5.051 1.00 0.09 N ATOM 644 CA ASN A 90 0.909 8.913 4.598 1.00 0.09 C ATOM 645 C ASN A 90 -0.023 8.626 3.445 1.00 0.09 C ATOM 646 O ASN A 90 -1.222 8.857 3.554 1.00 0.10 O ATOM 647 CB ASN A 90 2.000 9.900 4.196 1.00 0.11 C ATOM 648 CG ASN A 90 1.573 10.986 3.244 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.995 11.991 3.641 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.926 10.809 1.981 1.00 0.40 N ATOM 0 H ASN A 90 2.585 7.804 5.125 1.00 0.09 H new ATOM 0 HA ASN A 90 0.291 9.330 5.393 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.394 10.367 5.099 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.819 9.344 3.741 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.718 11.528 1.288 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.406 9.954 1.701 1.00 0.40 H new ATOM 657 N ARG A 91 0.527 8.089 2.363 1.00 0.08 N ATOM 658 CA ARG A 91 -0.263 7.773 1.180 1.00 0.10 C ATOM 659 C ARG A 91 -1.472 6.926 1.548 1.00 0.09 C ATOM 660 O ARG A 91 -2.581 7.177 1.086 1.00 0.11 O ATOM 661 CB ARG A 91 0.592 7.036 0.146 1.00 0.13 C ATOM 662 CG ARG A 91 1.426 7.948 -0.733 1.00 0.16 C ATOM 663 CD ARG A 91 0.547 8.902 -1.522 1.00 0.29 C ATOM 664 NE ARG A 91 1.333 9.827 -2.339 1.00 0.88 N ATOM 665 CZ ARG A 91 1.156 11.148 -2.356 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.185 11.698 -1.640 1.00 1.35 N ATOM 667 NH2 ARG A 91 1.934 11.916 -3.113 1.00 1.64 N ATOM 0 H ARG A 91 1.518 7.863 2.280 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.612 8.711 0.748 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.255 6.344 0.666 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.061 6.436 -0.488 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.122 8.516 -0.116 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.025 7.349 -1.419 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.122 8.330 -2.165 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.080 9.469 -0.834 1.00 0.29 H new ATOM 0 HE ARG A 91 2.063 9.436 -2.934 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.428 11.110 -1.075 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.051 12.709 -1.654 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.668 11.494 -3.682 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.797 12.927 -3.125 1.00 1.64 H new ATOM 681 N GLN A 92 -1.242 5.936 2.387 1.00 0.09 N ATOM 682 CA GLN A 92 -2.290 5.025 2.806 1.00 0.12 C ATOM 683 C GLN A 92 -3.293 5.725 3.718 1.00 0.11 C ATOM 684 O GLN A 92 -4.501 5.619 3.528 1.00 0.13 O ATOM 685 CB GLN A 92 -1.650 3.836 3.510 1.00 0.18 C ATOM 686 CG GLN A 92 -2.409 2.543 3.332 1.00 0.35 C ATOM 687 CD GLN A 92 -3.398 2.262 4.438 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.922 3.165 5.085 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.654 0.991 4.650 1.00 0.36 N ATOM 0 H GLN A 92 -0.328 5.740 2.796 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.840 4.678 1.932 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.635 3.706 3.134 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.570 4.056 4.575 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.940 2.572 2.381 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.697 1.719 3.275 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.193 0.277 4.086 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.314 0.718 5.379 1.00 0.36 H new ATOM 698 N GLN A 93 -2.778 6.459 4.689 1.00 0.12 N ATOM 699 CA GLN A 93 -3.602 7.170 5.658 1.00 0.14 C ATOM 700 C GLN A 93 -4.500 8.205 4.979 1.00 0.16 C ATOM 701 O GLN A 93 -5.613 8.480 5.433 1.00 0.20 O ATOM 702 CB GLN A 93 -2.713 7.854 6.703 1.00 0.15 C ATOM 703 CG GLN A 93 -2.087 6.897 7.703 1.00 0.15 C ATOM 704 CD GLN A 93 -3.078 5.920 8.291 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.740 6.206 9.287 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.157 4.747 7.692 1.00 0.22 N ATOM 0 H GLN A 93 -1.775 6.581 4.830 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.244 6.439 6.150 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.920 8.398 6.190 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.307 8.591 7.244 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.286 6.342 7.214 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.630 7.471 8.509 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.587 4.556 6.868 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.788 4.031 8.053 1.00 0.22 H new ATOM 715 N ARG A 94 -4.010 8.775 3.890 1.00 0.14 N ATOM 716 CA ARG A 94 -4.749 9.793 3.158 1.00 0.15 C ATOM 717 C ARG A 94 -5.558 9.182 2.018 1.00 0.14 C ATOM 718 O ARG A 94 -6.316 9.872 1.332 1.00 0.19 O ATOM 719 CB ARG A 94 -3.778 10.832 2.628 1.00 0.21 C ATOM 720 CG ARG A 94 -2.827 10.288 1.584 1.00 0.76 C ATOM 721 CD ARG A 94 -1.545 11.102 1.517 1.00 0.64 C ATOM 722 NE ARG A 94 -1.788 12.468 1.047 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.603 13.566 1.780 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.288 13.475 3.065 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.769 14.761 1.231 1.00 1.40 N ATOM 0 H ARG A 94 -3.099 8.549 3.491 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.456 10.269 3.838 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.342 11.660 2.199 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.201 11.236 3.459 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.588 9.250 1.814 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.314 10.294 0.609 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.084 11.135 2.504 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.837 10.610 0.851 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.123 12.588 0.091 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.185 12.559 3.501 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -1.149 14.321 3.617 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.038 14.839 0.250 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.628 15.603 1.789 1.00 1.40 H new ATOM 739 N ALA A 95 -5.390 7.889 1.825 1.00 0.12 N ATOM 740 CA ALA A 95 -6.127 7.160 0.796 1.00 0.12 C ATOM 741 C ALA A 95 -7.576 6.974 1.214 1.00 0.13 C ATOM 742 O ALA A 95 -7.915 7.110 2.391 1.00 0.17 O ATOM 743 CB ALA A 95 -5.489 5.808 0.526 1.00 0.13 C ATOM 0 H ALA A 95 -4.747 7.313 2.368 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.094 7.747 -0.122 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.057 5.285 -0.244 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.463 5.951 0.186 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.489 5.216 1.441 1.00 0.13 H new ATOM 749 N HIS A 96 -8.429 6.679 0.245 1.00 0.12 N ATOM 750 CA HIS A 96 -9.835 6.435 0.511 1.00 0.13 C ATOM 751 C HIS A 96 -9.988 5.208 1.382 1.00 0.13 C ATOM 752 O HIS A 96 -9.610 4.118 0.974 1.00 0.12 O ATOM 753 CB HIS A 96 -10.582 6.218 -0.797 1.00 0.14 C ATOM 754 CG HIS A 96 -11.993 6.660 -0.697 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.785 6.223 0.322 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.684 7.538 -1.457 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.933 6.838 0.176 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.925 7.649 -0.891 1.00 0.25 N ATOM 0 H HIS A 96 -8.168 6.603 -0.738 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.250 7.301 1.026 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.084 6.766 -1.597 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.549 5.162 -1.065 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.327 8.051 -2.338 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.780 6.708 0.833 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.694 8.235 -1.217 1.00 0.25 H new ATOM 766 N SER A 97 -10.516 5.384 2.585 1.00 0.16 N ATOM 767 CA SER A 97 -10.721 4.266 3.492 1.00 0.20 C ATOM 768 C SER A 97 -11.675 3.230 2.899 1.00 0.18 C ATOM 769 O SER A 97 -11.589 2.050 3.231 1.00 0.18 O ATOM 770 CB SER A 97 -11.214 4.766 4.847 1.00 0.29 C ATOM 771 OG SER A 97 -10.281 5.680 5.403 1.00 1.32 O ATOM 0 H SER A 97 -10.809 6.289 2.954 1.00 0.16 H new ATOM 0 HA SER A 97 -9.762 3.769 3.639 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.184 5.250 4.733 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.356 3.923 5.524 1.00 0.29 H new ATOM 0 HG SER A 97 -10.609 5.995 6.271 1.00 1.32 H new ATOM 777 N LEU A 98 -12.581 3.659 2.023 1.00 0.18 N ATOM 778 CA LEU A 98 -13.356 2.724 1.221 1.00 0.18 C ATOM 779 C LEU A 98 -12.440 1.854 0.383 1.00 0.15 C ATOM 780 O LEU A 98 -12.590 0.640 0.331 1.00 0.18 O ATOM 781 CB LEU A 98 -14.289 3.469 0.290 1.00 0.21 C ATOM 782 CG LEU A 98 -15.579 3.970 0.918 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.326 4.811 -0.094 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.434 2.807 1.407 1.00 0.61 C ATOM 0 H LEU A 98 -12.793 4.642 1.853 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.933 2.102 1.905 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.753 4.322 -0.127 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.542 2.814 -0.543 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.344 4.583 1.788 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.253 5.175 0.349 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.708 5.659 -0.390 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.556 4.206 -0.971 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.351 3.192 1.852 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.683 2.159 0.566 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.880 2.237 2.153 1.00 0.61 H new ATOM 796 N PHE A 99 -11.473 2.506 -0.241 1.00 0.12 N ATOM 797 CA PHE A 99 -10.506 1.839 -1.104 1.00 0.11 C ATOM 798 C PHE A 99 -9.590 0.959 -0.271 1.00 0.11 C ATOM 799 O PHE A 99 -9.264 -0.164 -0.657 1.00 0.12 O ATOM 800 CB PHE A 99 -9.681 2.868 -1.879 1.00 0.12 C ATOM 801 CG PHE A 99 -8.452 2.293 -2.510 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.565 1.345 -3.504 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.191 2.698 -2.107 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.441 0.804 -4.095 1.00 0.18 C ATOM 805 CE2 PHE A 99 -6.062 2.164 -2.691 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.185 1.214 -3.687 1.00 0.18 C ATOM 0 H PHE A 99 -11.334 3.514 -0.165 1.00 0.12 H new ATOM 0 HA PHE A 99 -11.046 1.218 -1.819 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.305 3.312 -2.655 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.391 3.673 -1.204 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.544 1.022 -3.824 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.091 3.439 -1.328 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.542 0.063 -4.874 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.083 2.488 -2.370 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.302 0.793 -4.146 1.00 0.18 H new ATOM 816 N LEU A 100 -9.182 1.479 0.874 1.00 0.12 N ATOM 817 CA LEU A 100 -8.365 0.733 1.817 1.00 0.14 C ATOM 818 C LEU A 100 -9.134 -0.464 2.354 1.00 0.16 C ATOM 819 O LEU A 100 -8.549 -1.428 2.827 1.00 0.21 O ATOM 820 CB LEU A 100 -7.940 1.646 2.962 1.00 0.17 C ATOM 821 CG LEU A 100 -7.262 2.933 2.521 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.246 3.941 3.653 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.857 2.634 2.044 1.00 0.22 C ATOM 0 H LEU A 100 -9.407 2.427 1.176 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.476 0.367 1.304 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.819 1.898 3.555 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.261 1.097 3.615 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.826 3.367 1.695 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.757 4.856 3.319 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.269 4.166 3.954 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.701 3.527 4.501 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.375 3.559 1.729 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.285 2.185 2.856 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.898 1.942 1.203 1.00 0.22 H new ATOM 835 N ALA A 101 -10.454 -0.393 2.292 1.00 0.16 N ATOM 836 CA ALA A 101 -11.292 -1.533 2.632 1.00 0.19 C ATOM 837 C ALA A 101 -11.796 -2.256 1.379 1.00 0.21 C ATOM 838 O ALA A 101 -12.627 -3.159 1.471 1.00 0.37 O ATOM 839 CB ALA A 101 -12.466 -1.088 3.488 1.00 0.23 C ATOM 0 H ALA A 101 -10.969 0.441 2.010 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.681 -2.235 3.199 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.084 -1.951 3.735 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.095 -0.633 4.406 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.062 -0.360 2.938 1.00 0.23 H new ATOM 845 N SER A 102 -11.277 -1.876 0.213 1.00 0.13 N ATOM 846 CA SER A 102 -11.721 -2.463 -1.046 1.00 0.15 C ATOM 847 C SER A 102 -10.771 -3.557 -1.511 1.00 0.17 C ATOM 848 O SER A 102 -9.590 -3.587 -1.148 1.00 0.25 O ATOM 849 CB SER A 102 -11.858 -1.392 -2.126 1.00 0.18 C ATOM 850 OG SER A 102 -12.977 -0.556 -1.890 1.00 1.40 O ATOM 0 H SER A 102 -10.551 -1.166 0.116 1.00 0.13 H new ATOM 0 HA SER A 102 -12.699 -2.912 -0.872 1.00 0.15 H new ATOM 0 HB2 SER A 102 -10.951 -0.788 -2.157 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.958 -1.868 -3.101 1.00 0.18 H new ATOM 0 HG SER A 102 -12.981 -0.271 -0.952 1.00 1.40 H new ATOM 856 N ALA A 103 -11.330 -4.462 -2.306 1.00 0.20 N ATOM 857 CA ALA A 103 -10.611 -5.605 -2.850 1.00 0.21 C ATOM 858 C ALA A 103 -9.416 -5.182 -3.691 1.00 0.18 C ATOM 859 O ALA A 103 -8.396 -5.868 -3.713 1.00 0.19 O ATOM 860 CB ALA A 103 -11.552 -6.453 -3.687 1.00 0.27 C ATOM 0 H ALA A 103 -12.308 -4.421 -2.594 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.233 -6.186 -2.009 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.009 -7.307 -4.092 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.374 -6.807 -3.064 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.950 -5.854 -4.506 1.00 0.27 H new ATOM 866 N GLU A 104 -9.554 -4.061 -4.390 1.00 0.17 N ATOM 867 CA GLU A 104 -8.495 -3.564 -5.256 1.00 0.17 C ATOM 868 C GLU A 104 -7.192 -3.369 -4.493 1.00 0.14 C ATOM 869 O GLU A 104 -6.132 -3.767 -4.965 1.00 0.14 O ATOM 870 CB GLU A 104 -8.889 -2.247 -5.893 1.00 0.22 C ATOM 871 CG GLU A 104 -8.089 -1.924 -7.135 1.00 0.30 C ATOM 872 CD GLU A 104 -8.383 -0.541 -7.677 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.576 -0.185 -7.794 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.427 0.195 -7.994 1.00 1.70 O ATOM 0 H GLU A 104 -10.392 -3.479 -4.373 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.344 -4.316 -6.031 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.948 -2.277 -6.148 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.759 -1.446 -5.166 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -7.026 -2.002 -6.908 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.306 -2.665 -7.905 1.00 0.30 H new ATOM 881 N PHE A 105 -7.262 -2.766 -3.309 1.00 0.13 N ATOM 882 CA PHE A 105 -6.062 -2.509 -2.534 1.00 0.13 C ATOM 883 C PHE A 105 -5.454 -3.826 -2.084 1.00 0.12 C ATOM 884 O PHE A 105 -4.242 -3.966 -2.055 1.00 0.13 O ATOM 885 CB PHE A 105 -6.359 -1.611 -1.325 1.00 0.13 C ATOM 886 CG PHE A 105 -5.113 -1.110 -0.645 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.968 -0.889 -1.386 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.083 -0.854 0.720 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.816 -0.424 -0.788 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.929 -0.387 1.323 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.795 -0.170 0.565 1.00 0.14 C ATOM 0 H PHE A 105 -8.129 -2.451 -2.873 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.349 -1.981 -3.167 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.957 -0.759 -1.650 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.961 -2.167 -0.606 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.975 -1.083 -2.448 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.968 -1.021 1.316 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.929 -0.259 -1.382 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.915 -0.192 2.385 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.894 0.198 1.033 1.00 0.14 H new ATOM 901 N CYS A 106 -6.304 -4.798 -1.772 1.00 0.13 N ATOM 902 CA CYS A 106 -5.835 -6.131 -1.410 1.00 0.15 C ATOM 903 C CYS A 106 -5.072 -6.731 -2.575 1.00 0.15 C ATOM 904 O CYS A 106 -3.994 -7.302 -2.411 1.00 0.16 O ATOM 905 CB CYS A 106 -7.015 -7.033 -1.044 1.00 0.19 C ATOM 906 SG CYS A 106 -6.549 -8.750 -0.718 1.00 0.29 S ATOM 0 H CYS A 106 -7.318 -4.689 -1.762 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.178 -6.051 -0.544 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.510 -6.627 -0.162 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.742 -7.012 -1.856 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.476 -9.325 -0.011 1.00 0.29 H new ATOM 912 N ASN A 107 -5.670 -6.593 -3.741 1.00 0.14 N ATOM 913 CA ASN A 107 -5.084 -7.019 -5.003 1.00 0.16 C ATOM 914 C ASN A 107 -3.713 -6.401 -5.198 1.00 0.15 C ATOM 915 O ASN A 107 -2.720 -7.095 -5.402 1.00 0.17 O ATOM 916 CB ASN A 107 -5.994 -6.562 -6.138 1.00 0.18 C ATOM 917 CG ASN A 107 -6.226 -7.642 -7.172 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.338 -8.440 -7.466 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.432 -7.689 -7.714 1.00 0.34 N ATOM 0 H ASN A 107 -6.594 -6.174 -3.844 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.980 -8.104 -4.997 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.953 -6.248 -5.725 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.554 -5.690 -6.622 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.653 -8.407 -8.404 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -8.140 -7.007 -7.442 1.00 0.34 H new ATOM 926 N ILE A 108 -3.685 -5.088 -5.093 1.00 0.13 N ATOM 927 CA ILE A 108 -2.489 -4.294 -5.302 1.00 0.13 C ATOM 928 C ILE A 108 -1.432 -4.635 -4.258 1.00 0.11 C ATOM 929 O ILE A 108 -0.262 -4.842 -4.576 1.00 0.12 O ATOM 930 CB ILE A 108 -2.874 -2.806 -5.203 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.732 -2.405 -6.402 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.653 -1.917 -5.078 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.511 -1.129 -6.183 1.00 0.17 C ATOM 0 H ILE A 108 -4.507 -4.532 -4.856 1.00 0.13 H new ATOM 0 HA ILE A 108 -2.070 -4.509 -6.285 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.460 -2.667 -4.294 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -3.090 -2.285 -7.275 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.428 -3.213 -6.627 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.967 -0.875 -5.011 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.097 -2.187 -4.180 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -1.016 -2.048 -5.953 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.098 -0.904 -7.073 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.178 -1.252 -5.330 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.819 -0.310 -5.987 1.00 0.17 H new ATOM 945 N LEU A 109 -1.882 -4.708 -3.021 1.00 0.09 N ATOM 946 CA LEU A 109 -1.042 -5.023 -1.884 1.00 0.08 C ATOM 947 C LEU A 109 -0.410 -6.386 -2.005 1.00 0.09 C ATOM 948 O LEU A 109 0.806 -6.533 -1.909 1.00 0.10 O ATOM 949 CB LEU A 109 -1.876 -4.966 -0.627 1.00 0.08 C ATOM 950 CG LEU A 109 -1.803 -3.630 0.081 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.772 -3.581 1.223 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.400 -3.380 0.576 1.00 0.07 C ATOM 0 H LEU A 109 -2.859 -4.547 -2.774 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.236 -4.290 -1.847 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.915 -5.179 -0.879 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.546 -5.749 0.055 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.072 -2.849 -0.630 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.703 -2.612 1.718 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.785 -3.725 0.847 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.534 -4.370 1.936 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.360 -2.416 1.084 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.114 -4.169 1.272 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.288 -3.374 -0.269 1.00 0.07 H new ATOM 964 N SER A 110 -1.244 -7.379 -2.212 1.00 0.10 N ATOM 965 CA SER A 110 -0.775 -8.736 -2.349 1.00 0.12 C ATOM 966 C SER A 110 0.186 -8.838 -3.525 1.00 0.12 C ATOM 967 O SER A 110 1.143 -9.610 -3.489 1.00 0.14 O ATOM 968 CB SER A 110 -1.956 -9.671 -2.521 1.00 0.15 C ATOM 969 OG SER A 110 -2.821 -9.594 -1.402 1.00 1.15 O ATOM 0 H SER A 110 -2.255 -7.270 -2.289 1.00 0.10 H new ATOM 0 HA SER A 110 -0.236 -9.029 -1.448 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.502 -9.412 -3.428 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.601 -10.694 -2.643 1.00 0.15 H new ATOM 0 HG SER A 110 -3.403 -8.810 -1.491 1.00 1.15 H new ATOM 975 N ARG A 111 -0.068 -8.040 -4.558 1.00 0.11 N ATOM 976 CA ARG A 111 0.829 -7.951 -5.693 1.00 0.12 C ATOM 977 C ARG A 111 2.192 -7.441 -5.277 1.00 0.11 C ATOM 978 O ARG A 111 3.201 -8.120 -5.463 1.00 0.13 O ATOM 979 CB ARG A 111 0.240 -7.041 -6.765 1.00 0.16 C ATOM 980 CG ARG A 111 -0.763 -7.747 -7.638 1.00 0.26 C ATOM 981 CD ARG A 111 -1.017 -6.999 -8.934 1.00 0.99 C ATOM 982 NE ARG A 111 -1.822 -5.797 -8.733 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.484 -4.588 -9.177 1.00 2.57 C ATOM 984 NH1 ARG A 111 -0.323 -4.405 -9.795 1.00 2.67 N ATOM 985 NH2 ARG A 111 -2.319 -3.573 -9.001 1.00 3.55 N ATOM 0 H ARG A 111 -0.894 -7.445 -4.627 1.00 0.11 H new ATOM 0 HA ARG A 111 0.949 -8.955 -6.101 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.238 -6.186 -6.287 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.045 -6.650 -7.387 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.404 -8.751 -7.864 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.701 -7.859 -7.094 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.063 -6.724 -9.385 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -1.523 -7.659 -9.638 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.699 -5.890 -8.220 1.00 1.81 H new ATOM 0 HH11 ARG A 111 0.312 -5.192 -9.931 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -0.066 -3.478 -10.134 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.211 -3.722 -8.529 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -2.069 -2.643 -9.337 1.00 3.55 H new ATOM 999 N VAL A 112 2.222 -6.262 -4.683 1.00 0.10 N ATOM 1000 CA VAL A 112 3.487 -5.625 -4.347 1.00 0.10 C ATOM 1001 C VAL A 112 4.236 -6.392 -3.282 1.00 0.11 C ATOM 1002 O VAL A 112 5.435 -6.553 -3.383 1.00 0.12 O ATOM 1003 CB VAL A 112 3.337 -4.163 -3.889 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.142 -3.262 -5.079 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.195 -3.987 -2.915 1.00 0.10 C ATOM 0 H VAL A 112 1.393 -5.728 -4.424 1.00 0.10 H new ATOM 0 HA VAL A 112 4.055 -5.630 -5.277 1.00 0.10 H new ATOM 0 HB VAL A 112 4.256 -3.889 -3.371 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.037 -2.231 -4.741 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.005 -3.341 -5.741 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.243 -3.560 -5.618 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.127 -2.940 -2.619 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.262 -4.291 -3.389 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.371 -4.602 -2.033 1.00 0.10 H new ATOM 1015 N LEU A 113 3.529 -6.860 -2.269 1.00 0.10 N ATOM 1016 CA LEU A 113 4.148 -7.631 -1.201 1.00 0.11 C ATOM 1017 C LEU A 113 4.862 -8.856 -1.739 1.00 0.12 C ATOM 1018 O LEU A 113 6.042 -9.077 -1.474 1.00 0.14 O ATOM 1019 CB LEU A 113 3.088 -8.044 -0.193 1.00 0.11 C ATOM 1020 CG LEU A 113 3.027 -7.142 1.014 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.635 -6.568 1.181 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.468 -7.902 2.246 1.00 0.28 C ATOM 0 H LEU A 113 2.524 -6.720 -2.162 1.00 0.10 H new ATOM 0 HA LEU A 113 4.894 -7.002 -0.714 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.114 -8.050 -0.683 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.286 -9.064 0.135 1.00 0.11 H new ATOM 0 HG LEU A 113 3.709 -6.304 0.870 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.611 -5.920 2.057 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.371 -5.990 0.295 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.920 -7.380 1.311 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.422 -7.245 3.115 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.809 -8.756 2.402 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.491 -8.253 2.110 1.00 0.28 H new ATOM 1034 N SER A 114 4.134 -9.634 -2.500 1.00 0.13 N ATOM 1035 CA SER A 114 4.678 -10.846 -3.102 1.00 0.15 C ATOM 1036 C SER A 114 5.872 -10.515 -3.988 1.00 0.15 C ATOM 1037 O SER A 114 6.887 -11.210 -3.965 1.00 0.17 O ATOM 1038 CB SER A 114 3.608 -11.575 -3.917 1.00 0.17 C ATOM 1039 OG SER A 114 2.448 -11.822 -3.138 1.00 1.00 O ATOM 0 H SER A 114 3.155 -9.456 -2.724 1.00 0.13 H new ATOM 0 HA SER A 114 5.009 -11.502 -2.297 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.343 -10.978 -4.790 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.009 -12.519 -4.286 1.00 0.17 H new ATOM 0 HG SER A 114 1.761 -11.157 -3.354 1.00 1.00 H new ATOM 1045 N ARG A 115 5.748 -9.436 -4.747 1.00 0.13 N ATOM 1046 CA ARG A 115 6.831 -8.964 -5.592 1.00 0.14 C ATOM 1047 C ARG A 115 7.991 -8.473 -4.740 1.00 0.14 C ATOM 1048 O ARG A 115 9.147 -8.700 -5.064 1.00 0.18 O ATOM 1049 CB ARG A 115 6.347 -7.813 -6.470 1.00 0.17 C ATOM 1050 CG ARG A 115 5.362 -8.201 -7.556 1.00 0.24 C ATOM 1051 CD ARG A 115 4.783 -6.953 -8.202 1.00 0.35 C ATOM 1052 NE ARG A 115 4.042 -7.242 -9.426 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.812 -6.340 -10.382 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.192 -5.078 -10.216 1.00 1.20 N ATOM 1055 NH2 ARG A 115 3.176 -6.691 -11.490 1.00 1.83 N ATOM 0 H ARG A 115 4.902 -8.869 -4.794 1.00 0.13 H new ATOM 0 HA ARG A 115 7.162 -9.793 -6.217 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.883 -7.061 -5.832 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.213 -7.344 -6.937 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.860 -8.813 -8.309 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.561 -8.806 -7.132 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.123 -6.455 -7.492 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.591 -6.258 -8.428 1.00 0.35 H new ATOM 0 HE ARG A 115 3.680 -8.186 -9.558 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.661 -4.796 -9.356 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.014 -4.391 -10.949 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.861 -7.653 -11.614 1.00 1.83 H new ATOM 0 HH22 ARG A 115 3.002 -5.999 -12.219 1.00 1.83 H new ATOM 1069 N ALA A 116 7.652 -7.782 -3.666 1.00 0.13 N ATOM 1070 CA ALA A 116 8.634 -7.109 -2.817 1.00 0.14 C ATOM 1071 C ALA A 116 9.571 -8.090 -2.128 1.00 0.16 C ATOM 1072 O ALA A 116 10.773 -7.864 -2.062 1.00 0.18 O ATOM 1073 CB ALA A 116 7.923 -6.235 -1.796 1.00 0.15 C ATOM 0 H ALA A 116 6.688 -7.668 -3.353 1.00 0.13 H new ATOM 0 HA ALA A 116 9.253 -6.482 -3.460 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.661 -5.737 -1.167 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.322 -5.487 -2.313 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.276 -6.854 -1.175 1.00 0.15 H new ATOM 1079 N ARG A 117 9.018 -9.179 -1.623 1.00 0.19 N ATOM 1080 CA ARG A 117 9.828 -10.186 -0.948 1.00 0.24 C ATOM 1081 C ARG A 117 10.667 -10.965 -1.943 1.00 0.26 C ATOM 1082 O ARG A 117 11.690 -11.554 -1.598 1.00 0.32 O ATOM 1083 CB ARG A 117 8.956 -11.128 -0.132 1.00 0.28 C ATOM 1084 CG ARG A 117 8.557 -10.522 1.193 1.00 0.61 C ATOM 1085 CD ARG A 117 7.144 -9.968 1.168 1.00 0.34 C ATOM 1086 NE ARG A 117 6.137 -11.029 1.230 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.485 -11.371 2.344 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.740 -10.751 3.487 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.578 -12.341 2.310 1.00 2.33 N ATOM 0 H ARG A 117 8.021 -9.390 -1.665 1.00 0.19 H new ATOM 0 HA ARG A 117 10.502 -9.668 -0.266 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.061 -11.378 -0.701 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.493 -12.060 0.042 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.635 -11.278 1.974 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.254 -9.724 1.450 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.006 -9.288 2.009 1.00 0.34 H new ATOM 0 HD3 ARG A 117 7.000 -9.384 0.259 1.00 0.34 H new ATOM 0 HE ARG A 117 5.921 -11.537 0.372 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.438 -10.008 3.519 1.00 1.30 H new ATOM 0 HH12 ARG A 117 5.238 -11.017 4.334 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.380 -12.824 1.434 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.079 -12.603 3.160 1.00 2.33 H new ATOM 1103 N SER A 118 10.224 -10.947 -3.178 1.00 0.26 N ATOM 1104 CA SER A 118 10.907 -11.628 -4.257 1.00 0.31 C ATOM 1105 C SER A 118 11.942 -10.713 -4.898 1.00 0.28 C ATOM 1106 O SER A 118 13.007 -11.148 -5.335 1.00 0.32 O ATOM 1107 CB SER A 118 9.872 -12.052 -5.277 1.00 0.37 C ATOM 1108 OG SER A 118 10.001 -13.418 -5.624 1.00 0.68 O ATOM 0 H SER A 118 9.376 -10.458 -3.466 1.00 0.26 H new ATOM 0 HA SER A 118 11.433 -12.502 -3.871 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.874 -11.872 -4.878 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.973 -11.439 -6.173 1.00 0.37 H new ATOM 0 HG SER A 118 9.315 -13.654 -6.283 1.00 0.68 H new ATOM 1114 N ARG A 119 11.614 -9.437 -4.930 1.00 0.23 N ATOM 1115 CA ARG A 119 12.462 -8.422 -5.511 1.00 0.20 C ATOM 1116 C ARG A 119 12.575 -7.225 -4.593 1.00 0.18 C ATOM 1117 O ARG A 119 11.995 -6.172 -4.853 1.00 0.17 O ATOM 1118 CB ARG A 119 11.898 -7.991 -6.853 1.00 0.25 C ATOM 1119 CG ARG A 119 12.393 -8.835 -7.995 1.00 0.33 C ATOM 1120 CD ARG A 119 13.681 -8.264 -8.564 1.00 0.33 C ATOM 1121 NE ARG A 119 14.425 -9.256 -9.336 1.00 0.55 N ATOM 1122 CZ ARG A 119 14.378 -9.371 -10.663 1.00 0.97 C ATOM 1123 NH1 ARG A 119 13.614 -8.557 -11.381 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.098 -10.304 -11.269 1.00 1.19 N ATOM 0 H ARG A 119 10.741 -9.074 -4.548 1.00 0.23 H new ATOM 0 HA ARG A 119 13.458 -8.842 -5.652 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.810 -8.040 -6.817 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.164 -6.950 -7.036 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.562 -9.856 -7.653 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.634 -8.882 -8.776 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.449 -7.409 -9.200 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.305 -7.896 -7.750 1.00 0.33 H new ATOM 0 HE ARG A 119 15.022 -9.906 -8.824 1.00 0.55 H new ATOM 0 HH11 ARG A 119 13.058 -7.838 -10.918 1.00 1.48 H new ATOM 0 HH12 ARG A 119 13.583 -8.650 -12.396 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.686 -10.931 -10.720 1.00 1.19 H new ATOM 0 HH22 ARG A 119 15.064 -10.395 -12.284 1.00 1.19 H new ATOM 1138 N PRO A 120 13.339 -7.372 -3.516 1.00 0.19 N ATOM 1139 CA PRO A 120 13.548 -6.306 -2.537 1.00 0.19 C ATOM 1140 C PRO A 120 14.311 -5.119 -3.121 1.00 0.20 C ATOM 1141 O PRO A 120 14.393 -4.054 -2.510 1.00 0.21 O ATOM 1142 CB PRO A 120 14.354 -7.005 -1.449 1.00 0.23 C ATOM 1143 CG PRO A 120 15.062 -8.082 -2.173 1.00 0.25 C ATOM 1144 CD PRO A 120 14.051 -8.600 -3.138 1.00 0.22 C ATOM 0 HA PRO A 120 12.613 -5.873 -2.180 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.052 -6.321 -0.966 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.708 -7.405 -0.667 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.945 -7.703 -2.687 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.400 -8.864 -1.493 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.516 -9.084 -3.997 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.387 -9.333 -2.680 1.00 0.22 H new ATOM 1152 N ALA A 121 14.869 -5.307 -4.314 1.00 0.20 N ATOM 1153 CA ALA A 121 15.489 -4.204 -5.039 1.00 0.22 C ATOM 1154 C ALA A 121 14.410 -3.369 -5.691 1.00 0.19 C ATOM 1155 O ALA A 121 14.509 -2.148 -5.804 1.00 0.21 O ATOM 1156 CB ALA A 121 16.439 -4.723 -6.096 1.00 0.25 C ATOM 0 H ALA A 121 14.904 -6.206 -4.795 1.00 0.20 H new ATOM 0 HA ALA A 121 16.057 -3.595 -4.335 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.890 -3.883 -6.624 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.221 -5.316 -5.622 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.891 -5.345 -6.804 1.00 0.25 H new ATOM 1162 N LYS A 122 13.367 -4.058 -6.106 1.00 0.16 N ATOM 1163 CA LYS A 122 12.241 -3.428 -6.751 1.00 0.16 C ATOM 1164 C LYS A 122 11.224 -2.966 -5.730 1.00 0.11 C ATOM 1165 O LYS A 122 10.152 -2.506 -6.095 1.00 0.11 O ATOM 1166 CB LYS A 122 11.584 -4.375 -7.734 1.00 0.20 C ATOM 1167 CG LYS A 122 12.491 -4.774 -8.871 1.00 0.27 C ATOM 1168 CD LYS A 122 11.758 -4.769 -10.190 1.00 0.41 C ATOM 1169 CE LYS A 122 10.486 -5.568 -10.112 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.750 -5.588 -11.404 1.00 1.07 N ATOM 0 H LYS A 122 13.279 -5.069 -6.004 1.00 0.16 H new ATOM 0 HA LYS A 122 12.614 -2.560 -7.294 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.260 -5.271 -7.204 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.689 -3.904 -8.140 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.337 -4.088 -8.921 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.897 -5.768 -8.683 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.528 -3.743 -10.477 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.401 -5.181 -10.968 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.720 -6.590 -9.814 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.844 -5.149 -9.337 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.881 -6.150 -11.300 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.502 -4.616 -11.677 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.351 -6.012 -12.139 1.00 1.07 H new ATOM 1184 N LEU A 123 11.539 -3.132 -4.451 1.00 0.10 N ATOM 1185 CA LEU A 123 10.706 -2.610 -3.389 1.00 0.08 C ATOM 1186 C LEU A 123 10.280 -1.178 -3.677 1.00 0.08 C ATOM 1187 O LEU A 123 9.103 -0.890 -3.662 1.00 0.13 O ATOM 1188 CB LEU A 123 11.454 -2.682 -2.069 1.00 0.12 C ATOM 1189 CG LEU A 123 10.676 -2.188 -0.857 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.423 -3.013 -0.650 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.549 -2.221 0.379 1.00 0.23 C ATOM 0 H LEU A 123 12.371 -3.627 -4.129 1.00 0.10 H new ATOM 0 HA LEU A 123 9.805 -3.220 -3.327 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.751 -3.716 -1.894 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.370 -2.098 -2.156 1.00 0.12 H new ATOM 0 HG LEU A 123 10.375 -1.156 -1.039 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.883 -2.642 0.221 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.787 -2.935 -1.531 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.696 -4.056 -0.491 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.979 -1.865 1.237 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.881 -3.243 0.563 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.417 -1.579 0.229 1.00 0.23 H new ATOM 1203 N TYR A 124 11.238 -0.279 -3.897 1.00 0.11 N ATOM 1204 CA TYR A 124 10.939 1.075 -4.321 1.00 0.10 C ATOM 1205 C TYR A 124 9.920 1.139 -5.439 1.00 0.11 C ATOM 1206 O TYR A 124 9.101 2.041 -5.471 1.00 0.14 O ATOM 1207 CB TYR A 124 12.231 1.754 -4.723 1.00 0.14 C ATOM 1208 CG TYR A 124 13.117 1.918 -3.535 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.564 2.360 -2.359 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.467 1.622 -3.569 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.322 2.515 -1.232 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.247 1.771 -2.445 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.670 2.220 -1.271 1.00 1.45 C ATOM 1214 OH TYR A 124 15.443 2.369 -0.143 1.00 1.89 O ATOM 0 H TYR A 124 12.233 -0.473 -3.786 1.00 0.11 H new ATOM 0 HA TYR A 124 10.482 1.598 -3.481 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.739 1.164 -5.486 1.00 0.14 H new ATOM 0 HB3 TYR A 124 12.017 2.728 -5.164 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.509 2.590 -2.323 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.914 1.270 -4.487 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.869 2.866 -0.317 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.301 1.539 -2.479 1.00 1.74 H new ATOM 0 HH TYR A 124 16.368 2.117 -0.345 1.00 1.89 H new ATOM 1224 N VAL A 125 9.912 0.162 -6.312 1.00 0.10 N ATOM 1225 CA VAL A 125 8.937 0.148 -7.383 1.00 0.12 C ATOM 1226 C VAL A 125 7.566 -0.047 -6.784 1.00 0.11 C ATOM 1227 O VAL A 125 6.629 0.671 -7.086 1.00 0.14 O ATOM 1228 CB VAL A 125 9.200 -0.994 -8.360 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.249 -0.901 -9.534 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.652 -0.981 -8.789 1.00 0.18 C ATOM 0 H VAL A 125 10.559 -0.626 -6.306 1.00 0.10 H new ATOM 0 HA VAL A 125 9.006 1.092 -7.923 1.00 0.12 H new ATOM 0 HB VAL A 125 9.015 -1.950 -7.871 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.444 -1.720 -10.226 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.222 -0.965 -9.176 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.396 0.050 -10.047 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.833 -1.799 -9.486 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.879 -0.032 -9.276 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.291 -1.102 -7.914 1.00 0.18 H new ATOM 1240 N TYR A 126 7.515 -1.011 -5.895 1.00 0.07 N ATOM 1241 CA TYR A 126 6.315 -1.417 -5.182 1.00 0.08 C ATOM 1242 C TYR A 126 5.876 -0.341 -4.195 1.00 0.08 C ATOM 1243 O TYR A 126 4.692 -0.042 -4.074 1.00 0.10 O ATOM 1244 CB TYR A 126 6.654 -2.716 -4.462 1.00 0.11 C ATOM 1245 CG TYR A 126 7.332 -3.715 -5.365 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.991 -3.831 -6.710 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.323 -4.532 -4.871 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.630 -4.743 -7.526 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.956 -5.449 -5.679 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.610 -5.548 -6.998 1.00 0.28 C ATOM 1251 OH TYR A 126 9.226 -6.485 -7.786 1.00 0.36 O ATOM 0 H TYR A 126 8.336 -1.558 -5.635 1.00 0.07 H new ATOM 0 HA TYR A 126 5.483 -1.562 -5.871 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.303 -2.499 -3.613 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.740 -3.155 -4.061 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.217 -3.199 -7.120 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.609 -4.452 -3.833 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.362 -4.823 -8.569 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.725 -6.089 -5.272 1.00 0.27 H new ATOM 0 HH TYR A 126 8.607 -6.783 -8.484 1.00 0.36 H new ATOM 1261 N ILE A 127 6.843 0.233 -3.495 1.00 0.08 N ATOM 1262 CA ILE A 127 6.613 1.348 -2.598 1.00 0.11 C ATOM 1263 C ILE A 127 5.994 2.497 -3.353 1.00 0.12 C ATOM 1264 O ILE A 127 4.911 2.968 -3.016 1.00 0.14 O ATOM 1265 CB ILE A 127 7.938 1.815 -1.972 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.479 0.739 -1.050 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.769 3.122 -1.218 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.929 0.943 -0.704 1.00 0.13 C ATOM 0 H ILE A 127 7.817 -0.067 -3.536 1.00 0.08 H new ATOM 0 HA ILE A 127 5.937 1.020 -1.808 1.00 0.11 H new ATOM 0 HB ILE A 127 8.650 1.991 -2.778 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.890 0.723 -0.133 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.357 -0.235 -1.524 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.726 3.421 -0.789 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.421 3.895 -1.903 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.039 2.990 -0.419 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.261 0.143 -0.042 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.526 0.931 -1.616 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.052 1.903 -0.203 1.00 0.13 H new ATOM 1280 N ASN A 128 6.683 2.923 -4.397 1.00 0.12 N ATOM 1281 CA ASN A 128 6.192 4.000 -5.237 1.00 0.15 C ATOM 1282 C ASN A 128 4.904 3.588 -5.953 1.00 0.12 C ATOM 1283 O ASN A 128 4.053 4.426 -6.229 1.00 0.12 O ATOM 1284 CB ASN A 128 7.257 4.423 -6.251 1.00 0.20 C ATOM 1285 CG ASN A 128 8.397 5.218 -5.628 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.322 6.439 -5.496 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.466 4.530 -5.257 1.00 0.42 N ATOM 0 H ASN A 128 7.584 2.539 -4.683 1.00 0.12 H new ATOM 0 HA ASN A 128 5.968 4.853 -4.596 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.664 3.534 -6.733 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.788 5.023 -7.031 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.265 5.012 -4.845 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.490 3.518 -5.383 1.00 0.42 H new ATOM 1294 N GLU A 129 4.763 2.295 -6.238 1.00 0.11 N ATOM 1295 CA GLU A 129 3.559 1.748 -6.850 1.00 0.10 C ATOM 1296 C GLU A 129 2.348 1.922 -5.951 1.00 0.09 C ATOM 1297 O GLU A 129 1.326 2.462 -6.362 1.00 0.14 O ATOM 1298 CB GLU A 129 3.763 0.266 -7.152 1.00 0.14 C ATOM 1299 CG GLU A 129 3.389 -0.087 -8.551 1.00 0.26 C ATOM 1300 CD GLU A 129 3.832 -1.470 -8.985 1.00 1.41 C ATOM 1301 OE1 GLU A 129 3.095 -2.445 -8.727 1.00 1.55 O ATOM 1302 OE2 GLU A 129 4.941 -1.593 -9.545 1.00 2.29 O ATOM 0 H GLU A 129 5.483 1.598 -6.050 1.00 0.11 H new ATOM 0 HA GLU A 129 3.375 2.294 -7.775 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.807 0.004 -6.981 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.168 -0.328 -6.459 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.306 -0.016 -8.654 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.823 0.650 -9.227 1.00 0.26 H new ATOM 1309 N LEU A 130 2.500 1.486 -4.718 1.00 0.07 N ATOM 1310 CA LEU A 130 1.434 1.508 -3.742 1.00 0.08 C ATOM 1311 C LEU A 130 1.154 2.945 -3.384 1.00 0.09 C ATOM 1312 O LEU A 130 0.016 3.360 -3.235 1.00 0.10 O ATOM 1313 CB LEU A 130 1.860 0.734 -2.506 1.00 0.08 C ATOM 1314 CG LEU A 130 0.713 0.135 -1.712 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.062 -0.989 -2.489 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.207 -0.352 -0.369 1.00 0.08 C ATOM 0 H LEU A 130 3.376 1.103 -4.363 1.00 0.07 H new ATOM 0 HA LEU A 130 0.535 1.045 -4.148 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.533 -0.068 -2.809 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.428 1.398 -1.855 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.038 0.907 -1.542 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.758 -1.407 -1.905 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.324 -0.603 -3.433 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.799 -1.767 -2.689 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.376 -0.779 0.191 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.974 -1.112 -0.517 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.629 0.484 0.189 1.00 0.08 H new ATOM 1328 N CYS A 131 2.228 3.697 -3.296 1.00 0.11 N ATOM 1329 CA CYS A 131 2.166 5.118 -3.082 1.00 0.13 C ATOM 1330 C CYS A 131 1.385 5.793 -4.211 1.00 0.13 C ATOM 1331 O CYS A 131 0.540 6.651 -3.967 1.00 0.14 O ATOM 1332 CB CYS A 131 3.589 5.655 -3.003 1.00 0.18 C ATOM 1333 SG CYS A 131 4.190 5.948 -1.324 1.00 1.39 S ATOM 0 H CYS A 131 3.177 3.332 -3.372 1.00 0.11 H new ATOM 0 HA CYS A 131 1.645 5.335 -2.150 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.258 4.949 -3.496 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.642 6.589 -3.562 1.00 0.18 H new ATOM 0 HG CYS A 131 4.367 7.223 -1.143 1.00 1.39 H new ATOM 1339 N THR A 132 1.661 5.378 -5.444 1.00 0.12 N ATOM 1340 CA THR A 132 0.941 5.882 -6.606 1.00 0.14 C ATOM 1341 C THR A 132 -0.520 5.445 -6.544 1.00 0.11 C ATOM 1342 O THR A 132 -1.424 6.227 -6.806 1.00 0.15 O ATOM 1343 CB THR A 132 1.584 5.385 -7.921 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.907 5.929 -8.058 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.752 5.769 -9.136 1.00 0.24 C ATOM 0 H THR A 132 2.382 4.691 -5.663 1.00 0.12 H new ATOM 0 HA THR A 132 0.995 6.971 -6.592 1.00 0.14 H new ATOM 0 HB THR A 132 1.632 4.297 -7.872 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.536 5.398 -7.526 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.237 5.402 -10.040 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.241 5.327 -9.052 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.662 6.854 -9.187 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.725 4.185 -6.194 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.048 3.627 -5.942 1.00 0.07 C ATOM 1355 C VAL A 133 -2.838 4.465 -4.944 1.00 0.07 C ATOM 1356 O VAL A 133 -3.979 4.850 -5.194 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.885 2.202 -5.395 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.101 1.724 -4.629 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.568 1.248 -6.520 1.00 0.10 C ATOM 0 H VAL A 133 0.031 3.511 -6.075 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.602 3.622 -6.880 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.056 2.225 -4.688 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.928 0.711 -4.266 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.281 2.386 -3.782 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.971 1.730 -5.286 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.454 0.240 -6.121 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.379 1.261 -7.248 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.641 1.553 -7.005 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.213 4.745 -3.823 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.852 5.476 -2.744 1.00 0.11 C ATOM 1371 C LEU A 134 -3.059 6.935 -3.128 1.00 0.14 C ATOM 1372 O LEU A 134 -3.994 7.582 -2.671 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.992 5.364 -1.494 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.732 3.930 -1.033 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.650 3.898 0.027 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.013 3.298 -0.520 1.00 0.16 C ATOM 0 H LEU A 134 -1.249 4.474 -3.630 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.834 5.046 -2.548 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.035 5.852 -1.681 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.476 5.911 -0.685 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.384 3.349 -1.887 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.480 2.869 0.342 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.273 4.310 -0.382 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.963 4.493 0.885 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.811 2.277 -0.196 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.393 3.877 0.321 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.757 3.285 -1.317 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.177 7.439 -3.978 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.266 8.754 -4.515 1.00 0.17 C ATOM 1390 C LYS A 135 -3.379 8.794 -5.554 1.00 0.15 C ATOM 1391 O LYS A 135 -4.059 9.807 -5.729 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.901 9.060 -5.124 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.629 10.520 -5.279 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.373 11.072 -6.465 1.00 0.68 C ATOM 1395 CE LYS A 135 -0.808 10.518 -7.765 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.548 11.001 -8.955 1.00 1.82 N ATOM 0 H LYS A 135 -1.366 6.918 -4.311 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.509 9.502 -3.760 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.126 8.619 -4.497 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.832 8.581 -6.100 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.929 11.050 -4.375 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.441 10.685 -5.405 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.430 10.819 -6.386 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.305 12.160 -6.468 1.00 0.68 H new ATOM 0 HE2 LYS A 135 0.241 10.803 -7.853 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -0.841 9.429 -7.737 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.125 10.596 -9.815 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.543 10.708 -8.887 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -1.495 12.039 -8.999 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.581 7.661 -6.203 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.570 7.535 -7.243 1.00 0.14 C ATOM 1412 C ALA A 136 -5.962 7.459 -6.634 1.00 0.16 C ATOM 1413 O ALA A 136 -6.928 8.008 -7.168 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.269 6.290 -8.072 1.00 0.17 C ATOM 0 H ALA A 136 -3.059 6.804 -6.019 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.535 8.409 -7.893 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.014 6.189 -8.861 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.279 6.381 -8.518 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.299 5.410 -7.430 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.046 6.782 -5.500 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.320 6.536 -4.842 1.00 0.23 C ATOM 1422 C HIS A 137 -7.328 7.169 -3.459 1.00 0.24 C ATOM 1423 O HIS A 137 -7.838 6.598 -2.495 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.575 5.028 -4.744 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.242 4.293 -6.006 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.789 4.607 -7.231 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.356 3.302 -6.239 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.242 3.848 -8.158 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.371 3.046 -7.582 1.00 0.34 N ATOM 0 H HIS A 137 -5.240 6.390 -5.013 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.117 6.988 -5.432 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.984 4.618 -3.925 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.623 4.858 -4.497 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.747 2.803 -5.500 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.470 3.878 -9.213 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -5.801 2.348 -8.060 1.00 0.34 H new ATOM 1438 N SER A 138 -6.744 8.349 -3.373 1.00 0.26 N ATOM 1439 CA SER A 138 -6.693 9.098 -2.132 1.00 0.30 C ATOM 1440 C SER A 138 -7.997 9.846 -1.930 1.00 0.36 C ATOM 1441 O SER A 138 -8.489 10.509 -2.844 1.00 0.56 O ATOM 1442 CB SER A 138 -5.527 10.079 -2.175 1.00 0.40 C ATOM 1443 OG SER A 138 -5.439 10.852 -0.992 1.00 1.23 O ATOM 0 H SER A 138 -6.292 8.815 -4.160 1.00 0.26 H new ATOM 0 HA SER A 138 -6.549 8.410 -1.299 1.00 0.30 H new ATOM 0 HB2 SER A 138 -4.597 9.530 -2.319 1.00 0.40 H new ATOM 0 HB3 SER A 138 -5.642 10.741 -3.033 1.00 0.40 H new ATOM 0 HG SER A 138 -5.655 10.291 -0.218 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.556 9.737 -0.735 1.00 0.26 N ATOM 1450 CA ALA A 139 -9.787 10.426 -0.402 1.00 0.34 C ATOM 1451 C ALA A 139 -9.474 11.864 -0.028 1.00 0.72 C ATOM 1452 O ALA A 139 -10.070 12.803 -0.551 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.474 9.719 0.752 1.00 0.26 C ATOM 0 H ALA A 139 -8.171 9.173 0.023 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.455 10.420 -1.263 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.399 10.240 0.999 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.701 8.692 0.466 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -9.816 9.716 1.621 1.00 0.26 H new ATOM 1459 N LYS A 140 -8.515 12.019 0.877 1.00 1.04 N ATOM 1460 CA LYS A 140 -8.063 13.333 1.320 1.00 1.45 C ATOM 1461 C LYS A 140 -7.160 13.992 0.272 1.00 1.34 C ATOM 1462 O LYS A 140 -6.453 14.957 0.568 1.00 1.80 O ATOM 1463 CB LYS A 140 -7.313 13.192 2.650 1.00 2.25 C ATOM 1464 CG LYS A 140 -7.261 14.471 3.471 1.00 3.01 C ATOM 1465 CD LYS A 140 -8.655 14.929 3.861 1.00 3.61 C ATOM 1466 CE LYS A 140 -8.616 16.202 4.687 1.00 4.40 C ATOM 1467 NZ LYS A 140 -8.025 17.340 3.934 1.00 4.94 N ATOM 0 H LYS A 140 -8.030 11.241 1.323 1.00 1.04 H new ATOM 0 HA LYS A 140 -8.935 13.972 1.457 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -7.790 12.411 3.243 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -6.294 12.861 2.447 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -6.665 14.306 4.369 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -6.765 15.254 2.898 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -9.248 15.096 2.962 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -9.151 14.142 4.428 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -9.627 16.461 5.000 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -8.036 16.028 5.594 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -8.200 18.226 4.450 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -7.000 17.195 3.834 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -8.461 17.396 2.991 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.174 13.450 -0.945 1.00 1.51 N ATOM 1482 CA LYS A 141 -6.406 13.976 -2.073 1.00 2.10 C ATOM 1483 C LYS A 141 -6.680 15.468 -2.334 1.00 2.90 C ATOM 1484 O LYS A 141 -7.570 16.076 -1.736 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.762 13.142 -3.315 1.00 2.17 C ATOM 1486 CG LYS A 141 -5.819 13.309 -4.498 1.00 2.04 C ATOM 1487 CD LYS A 141 -6.177 12.382 -5.657 1.00 2.31 C ATOM 1488 CE LYS A 141 -7.512 12.732 -6.308 1.00 3.03 C ATOM 1489 NZ LYS A 141 -8.682 12.194 -5.557 1.00 3.84 N ATOM 0 H LYS A 141 -7.725 12.624 -1.178 1.00 1.51 H new ATOM 0 HA LYS A 141 -5.344 13.900 -1.839 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -6.783 12.089 -3.033 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -7.770 13.406 -3.634 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -5.848 14.343 -4.840 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -4.797 13.108 -4.177 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -5.389 12.428 -6.409 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -6.213 11.354 -5.296 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -7.601 13.816 -6.382 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -7.528 12.341 -7.325 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -9.295 11.661 -6.206 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -8.349 11.564 -4.799 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -9.219 12.981 -5.141 1.00 3.84 H new ATOM 1503 N LYS A 142 -5.933 16.022 -3.275 1.00 3.43 N ATOM 1504 CA LYS A 142 -5.987 17.429 -3.612 1.00 4.37 C ATOM 1505 C LYS A 142 -6.292 17.524 -5.106 1.00 4.96 C ATOM 1506 O LYS A 142 -5.401 17.403 -5.942 1.00 5.45 O ATOM 1507 CB LYS A 142 -4.641 18.081 -3.250 1.00 5.00 C ATOM 1508 CG LYS A 142 -4.297 19.352 -4.011 1.00 5.31 C ATOM 1509 CD LYS A 142 -5.196 20.520 -3.643 1.00 5.43 C ATOM 1510 CE LYS A 142 -4.664 21.820 -4.233 1.00 6.16 C ATOM 1511 NZ LYS A 142 -5.561 22.973 -3.962 1.00 6.56 N ATOM 0 H LYS A 142 -5.262 15.495 -3.834 1.00 3.43 H new ATOM 0 HA LYS A 142 -6.762 17.958 -3.057 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -4.643 18.307 -2.184 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -3.848 17.352 -3.419 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -3.260 19.621 -3.811 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -4.376 19.162 -5.081 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -6.206 20.336 -4.009 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -5.260 20.607 -2.558 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -3.677 22.026 -3.820 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -4.541 21.704 -5.310 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -5.140 23.840 -4.353 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -6.486 22.805 -4.407 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -5.686 23.082 -2.935 1.00 6.56 H new ATOM 1525 N LEU A 143 -7.564 17.686 -5.434 1.00 5.33 N ATOM 1526 CA LEU A 143 -8.013 17.553 -6.816 1.00 6.23 C ATOM 1527 C LEU A 143 -8.325 18.897 -7.465 1.00 7.01 C ATOM 1528 O LEU A 143 -9.034 18.956 -8.469 1.00 7.76 O ATOM 1529 CB LEU A 143 -9.235 16.623 -6.877 1.00 6.61 C ATOM 1530 CG LEU A 143 -10.304 16.839 -5.793 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -11.090 18.123 -6.028 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -11.240 15.645 -5.739 1.00 6.92 C ATOM 0 H LEU A 143 -8.303 17.909 -4.767 1.00 5.33 H new ATOM 0 HA LEU A 143 -7.193 17.118 -7.387 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -9.707 16.740 -7.853 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -8.885 15.593 -6.814 1.00 6.61 H new ATOM 0 HG LEU A 143 -9.795 16.937 -4.834 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -11.836 18.242 -5.242 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -10.409 18.974 -6.014 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -11.588 18.073 -6.996 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -11.993 15.808 -4.968 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -11.730 15.523 -6.705 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -10.670 14.746 -5.505 1.00 6.92 H new ATOM 1544 N ASN A 144 -7.771 19.964 -6.916 1.00 7.08 N ATOM 1545 CA ASN A 144 -8.020 21.304 -7.434 1.00 8.03 C ATOM 1546 C ASN A 144 -7.142 22.309 -6.709 1.00 8.20 C ATOM 1547 O ASN A 144 -6.013 22.549 -7.171 1.00 8.61 O ATOM 1548 CB ASN A 144 -9.494 21.696 -7.282 1.00 8.72 C ATOM 1549 CG ASN A 144 -9.883 22.840 -8.204 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -9.056 23.673 -8.574 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -11.149 22.882 -8.588 1.00 9.73 N ATOM 1552 OXT ASN A 144 -7.573 22.834 -5.665 1.00 8.17 O ATOM 0 H ASN A 144 -7.145 19.932 -6.111 1.00 7.08 H new ATOM 0 HA ASN A 144 -7.777 21.306 -8.497 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -10.122 20.831 -7.495 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -9.687 21.983 -6.248 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -11.468 23.623 -9.212 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -11.805 22.173 -8.260 1.00 9.73 H new TER 1559 ASN A 144