USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=25 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 71 SER OG : rot -170:sc= -0.869 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -6.74! (180deg=-11!) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -0.691 X(o=-1.6,f=-1.5) USER MOD Set 2.2: A 30 TYR OH : rot 152:sc= -0.326 USER MOD Set 2.3: A 55 THR OG1 : rot -116:sc= -0.575 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -2.79! K(o=-1.9!,f=-3) USER MOD Set 3.2: A 20 SER OG : rot 43:sc= 0.924 USER MOD Set 4.1: A 5 LYS NZ :NH3+ -123:sc= 0.887 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot -30:sc= 0.754 USER MOD Single : A 1 ASP N :NH3+ -143:sc= 0.737 (180deg=0.144) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 61:sc= 0.107 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -0.111 (180deg=-1.64!) USER MOD Single : A 16 ASN : amide:sc= -5.5! C(o=-5.5!,f=-4.9!) USER MOD Single : A 17 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-5.7!) USER MOD Single : A 18 SER OG : rot 65:sc= 0.364 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -120:sc= -1.77! USER MOD Single : A 27 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 90:sc= -0.766 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.021) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-6.1!) USER MOD Single : A 85 SER OG : rot -59:sc= 0.00848 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0.0279 (180deg=0.00997) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -80:sc= 0.532 USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.199 (180deg=-0.238) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -5.11! (180deg=-5.11!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -0.163 (180deg=-0.485) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.995 0.016 9.604 1.00 8.89 N ATOM 2 CA ASP A 1 -18.129 -1.451 9.477 1.00 8.11 C ATOM 3 C ASP A 1 -17.722 -1.826 8.060 1.00 7.19 C ATOM 4 O ASP A 1 -17.652 -0.923 7.236 1.00 7.67 O ATOM 5 CB ASP A 1 -19.565 -1.898 9.767 1.00 8.92 C ATOM 6 CG ASP A 1 -20.492 -1.336 8.692 1.00 9.46 C ATOM 7 OD1 ASP A 1 -20.652 -0.097 8.744 1.00 10.06 O ATOM 8 OD2 ASP A 1 -20.928 -2.117 7.819 1.00 9.66 O ATOM 0 H1 ASP A 1 -17.647 0.252 10.555 1.00 8.89 H new ATOM 0 H2 ASP A 1 -17.322 0.366 8.892 1.00 8.89 H new ATOM 0 H3 ASP A 1 -18.922 0.464 9.454 1.00 8.89 H new ATOM 0 HA ASP A 1 -17.489 -1.953 10.202 1.00 8.11 H new ATOM 0 HB2 ASP A 1 -19.624 -2.986 9.782 1.00 8.92 H new ATOM 0 HB3 ASP A 1 -19.876 -1.548 10.751 1.00 8.92 H new ATOM 15 N LYS A 2 -17.433 -3.103 7.779 1.00 6.50 N ATOM 16 CA LYS A 2 -17.038 -3.559 6.444 1.00 5.91 C ATOM 17 C LYS A 2 -15.897 -2.726 5.855 1.00 5.35 C ATOM 18 O LYS A 2 -16.114 -1.842 5.032 1.00 5.62 O ATOM 19 CB LYS A 2 -18.258 -3.560 5.514 1.00 6.54 C ATOM 20 CG LYS A 2 -19.128 -4.796 5.757 1.00 7.15 C ATOM 21 CD LYS A 2 -20.268 -4.844 4.739 1.00 8.09 C ATOM 22 CE LYS A 2 -21.313 -3.769 5.053 1.00 8.91 C ATOM 23 NZ LYS A 2 -22.376 -3.737 4.024 1.00 9.95 N ATOM 0 H LYS A 2 -17.467 -3.849 8.474 1.00 6.50 H new ATOM 0 HA LYS A 2 -16.658 -4.576 6.539 1.00 5.91 H new ATOM 0 HB2 LYS A 2 -18.847 -2.658 5.679 1.00 6.54 H new ATOM 0 HB3 LYS A 2 -17.929 -3.540 4.475 1.00 6.54 H new ATOM 0 HG2 LYS A 2 -18.522 -5.698 5.678 1.00 7.15 H new ATOM 0 HG3 LYS A 2 -19.534 -4.772 6.768 1.00 7.15 H new ATOM 0 HD2 LYS A 2 -19.873 -4.693 3.734 1.00 8.09 H new ATOM 0 HD3 LYS A 2 -20.735 -5.829 4.753 1.00 8.09 H new ATOM 0 HE2 LYS A 2 -21.755 -3.963 6.030 1.00 8.91 H new ATOM 0 HE3 LYS A 2 -20.829 -2.794 5.110 1.00 8.91 H new ATOM 0 HZ1 LYS A 2 -23.069 -2.999 4.264 1.00 9.95 H new ATOM 0 HZ2 LYS A 2 -21.955 -3.528 3.096 1.00 9.95 H new ATOM 0 HZ3 LYS A 2 -22.852 -4.661 3.988 1.00 9.95 H new ATOM 37 N ASP A 3 -14.663 -3.053 6.235 1.00 5.41 N ATOM 38 CA ASP A 3 -13.472 -2.356 5.758 1.00 5.62 C ATOM 39 C ASP A 3 -13.064 -2.849 4.365 1.00 4.28 C ATOM 40 O ASP A 3 -11.968 -3.369 4.164 1.00 4.76 O ATOM 41 CB ASP A 3 -12.347 -2.565 6.771 1.00 7.39 C ATOM 42 CG ASP A 3 -11.195 -1.596 6.535 1.00 8.89 C ATOM 43 OD1 ASP A 3 -11.318 -0.744 5.626 1.00 8.97 O ATOM 44 OD2 ASP A 3 -10.239 -1.694 7.334 1.00 10.33 O ATOM 0 H ASP A 3 -14.461 -3.812 6.885 1.00 5.41 H new ATOM 0 HA ASP A 3 -13.684 -1.291 5.666 1.00 5.62 H new ATOM 0 HB2 ASP A 3 -12.736 -2.431 7.780 1.00 7.39 H new ATOM 0 HB3 ASP A 3 -11.981 -3.590 6.704 1.00 7.39 H new ATOM 49 N VAL A 4 -13.979 -2.776 3.395 1.00 2.99 N ATOM 50 CA VAL A 4 -13.754 -3.321 2.076 1.00 1.94 C ATOM 51 C VAL A 4 -14.371 -2.385 1.049 1.00 1.36 C ATOM 52 O VAL A 4 -15.525 -2.534 0.657 1.00 1.77 O ATOM 53 CB VAL A 4 -14.307 -4.747 1.942 1.00 1.41 C ATOM 54 CG1 VAL A 4 -13.467 -5.433 0.875 1.00 2.28 C ATOM 55 CG2 VAL A 4 -14.228 -5.570 3.230 1.00 1.87 C ATOM 0 H VAL A 4 -14.892 -2.336 3.513 1.00 2.99 H new ATOM 0 HA VAL A 4 -12.681 -3.396 1.901 1.00 1.94 H new ATOM 0 HB VAL A 4 -15.366 -4.681 1.692 1.00 1.41 H new ATOM 0 HG11 VAL A 4 -13.818 -6.456 0.738 1.00 2.28 H new ATOM 0 HG12 VAL A 4 -13.558 -4.889 -0.065 1.00 2.28 H new ATOM 0 HG13 VAL A 4 -12.423 -5.447 1.187 1.00 2.28 H new ATOM 0 HG21 VAL A 4 -14.638 -6.564 3.052 1.00 1.87 H new ATOM 0 HG22 VAL A 4 -13.187 -5.657 3.543 1.00 1.87 H new ATOM 0 HG23 VAL A 4 -14.802 -5.075 4.014 1.00 1.87 H new ATOM 65 N LYS A 5 -13.597 -1.411 0.572 1.00 1.12 N ATOM 66 CA LYS A 5 -14.129 -0.477 -0.405 1.00 0.83 C ATOM 67 C LYS A 5 -14.005 -0.993 -1.838 1.00 0.99 C ATOM 68 O LYS A 5 -14.360 -0.261 -2.752 1.00 1.95 O ATOM 69 CB LYS A 5 -13.441 0.878 -0.242 1.00 1.27 C ATOM 70 CG LYS A 5 -14.306 1.976 -0.879 1.00 2.04 C ATOM 71 CD LYS A 5 -14.414 3.202 0.032 1.00 2.13 C ATOM 72 CE LYS A 5 -15.536 4.103 -0.490 1.00 3.04 C ATOM 73 NZ LYS A 5 -15.087 4.978 -1.596 1.00 4.35 N ATOM 0 H LYS A 5 -12.626 -1.254 0.840 1.00 1.12 H new ATOM 0 HA LYS A 5 -15.197 -0.365 -0.216 1.00 0.83 H new ATOM 0 HB2 LYS A 5 -13.284 1.092 0.815 1.00 1.27 H new ATOM 0 HB3 LYS A 5 -12.458 0.857 -0.712 1.00 1.27 H new ATOM 0 HG2 LYS A 5 -13.877 2.269 -1.837 1.00 2.04 H new ATOM 0 HG3 LYS A 5 -15.302 1.584 -1.083 1.00 2.04 H new ATOM 0 HD2 LYS A 5 -14.622 2.894 1.057 1.00 2.13 H new ATOM 0 HD3 LYS A 5 -13.469 3.745 0.048 1.00 2.13 H new ATOM 0 HE2 LYS A 5 -16.365 3.484 -0.833 1.00 3.04 H new ATOM 0 HE3 LYS A 5 -15.914 4.718 0.326 1.00 3.04 H new ATOM 0 HZ1 LYS A 5 -15.260 5.972 -1.344 1.00 4.35 H new ATOM 0 HZ2 LYS A 5 -14.070 4.834 -1.762 1.00 4.35 H new ATOM 0 HZ3 LYS A 5 -15.615 4.743 -2.461 1.00 4.35 H new ATOM 87 N TYR A 6 -13.531 -2.234 -2.020 1.00 0.69 N ATOM 88 CA TYR A 6 -13.395 -2.930 -3.289 1.00 0.64 C ATOM 89 C TYR A 6 -12.942 -2.004 -4.426 1.00 0.53 C ATOM 90 O TYR A 6 -13.764 -1.537 -5.210 1.00 0.67 O ATOM 91 CB TYR A 6 -14.716 -3.638 -3.610 1.00 0.86 C ATOM 92 CG TYR A 6 -14.840 -5.037 -3.045 1.00 0.91 C ATOM 93 CD1 TYR A 6 -14.168 -6.094 -3.687 1.00 1.99 C ATOM 94 CD2 TYR A 6 -15.665 -5.300 -1.937 1.00 2.00 C ATOM 95 CE1 TYR A 6 -14.366 -7.421 -3.270 1.00 2.35 C ATOM 96 CE2 TYR A 6 -15.865 -6.625 -1.511 1.00 2.09 C ATOM 97 CZ TYR A 6 -15.235 -7.692 -2.190 1.00 1.66 C ATOM 98 OH TYR A 6 -15.486 -8.974 -1.806 1.00 2.16 O ATOM 0 H TYR A 6 -13.217 -2.804 -1.235 1.00 0.69 H new ATOM 0 HA TYR A 6 -12.603 -3.674 -3.196 1.00 0.64 H new ATOM 0 HB2 TYR A 6 -15.538 -3.033 -3.228 1.00 0.86 H new ATOM 0 HB3 TYR A 6 -14.832 -3.687 -4.693 1.00 0.86 H new ATOM 0 HD1 TYR A 6 -13.496 -5.884 -4.506 1.00 1.99 H new ATOM 0 HD2 TYR A 6 -16.144 -4.486 -1.414 1.00 2.00 H new ATOM 0 HE1 TYR A 6 -13.856 -8.230 -3.773 1.00 2.35 H new ATOM 0 HE2 TYR A 6 -16.502 -6.828 -0.663 1.00 2.09 H new ATOM 0 HH TYR A 6 -14.648 -9.404 -1.534 1.00 2.16 H new ATOM 108 N TYR A 7 -11.639 -1.747 -4.562 1.00 0.39 N ATOM 109 CA TYR A 7 -11.133 -0.861 -5.577 1.00 0.37 C ATOM 110 C TYR A 7 -10.517 -1.666 -6.715 1.00 0.42 C ATOM 111 O TYR A 7 -9.982 -2.755 -6.514 1.00 0.48 O ATOM 112 CB TYR A 7 -10.109 0.043 -4.901 1.00 0.33 C ATOM 113 CG TYR A 7 -10.715 1.180 -4.104 1.00 0.39 C ATOM 114 CD1 TYR A 7 -11.578 2.087 -4.742 1.00 1.74 C ATOM 115 CD2 TYR A 7 -10.421 1.347 -2.741 1.00 1.68 C ATOM 116 CE1 TYR A 7 -12.091 3.199 -4.056 1.00 1.83 C ATOM 117 CE2 TYR A 7 -10.954 2.441 -2.035 1.00 1.70 C ATOM 118 CZ TYR A 7 -11.767 3.388 -2.699 1.00 0.71 C ATOM 119 OH TYR A 7 -12.242 4.480 -2.029 1.00 0.90 O ATOM 0 H TYR A 7 -10.918 -2.153 -3.966 1.00 0.39 H new ATOM 0 HA TYR A 7 -11.927 -0.258 -6.018 1.00 0.37 H new ATOM 0 HB2 TYR A 7 -9.489 -0.561 -4.238 1.00 0.33 H new ATOM 0 HB3 TYR A 7 -9.449 0.459 -5.662 1.00 0.33 H new ATOM 0 HD1 TYR A 7 -11.850 1.926 -5.775 1.00 1.74 H new ATOM 0 HD2 TYR A 7 -9.786 0.635 -2.235 1.00 1.68 H new ATOM 0 HE1 TYR A 7 -12.730 3.905 -4.566 1.00 1.83 H new ATOM 0 HE2 TYR A 7 -10.741 2.558 -0.983 1.00 1.70 H new ATOM 0 HH TYR A 7 -12.352 5.226 -2.655 1.00 0.90 H new ATOM 129 N THR A 8 -10.580 -1.117 -7.923 1.00 0.48 N ATOM 130 CA THR A 8 -10.042 -1.720 -9.130 1.00 0.58 C ATOM 131 C THR A 8 -8.633 -1.208 -9.339 1.00 0.55 C ATOM 132 O THR A 8 -8.385 -0.049 -9.033 1.00 0.51 O ATOM 133 CB THR A 8 -10.909 -1.284 -10.315 1.00 0.68 C ATOM 134 OG1 THR A 8 -11.201 0.094 -10.200 1.00 0.70 O ATOM 135 CG2 THR A 8 -12.208 -2.077 -10.326 1.00 0.86 C ATOM 0 H THR A 8 -11.021 -0.213 -8.091 1.00 0.48 H new ATOM 0 HA THR A 8 -10.036 -2.807 -9.045 1.00 0.58 H new ATOM 0 HB THR A 8 -10.368 -1.469 -11.243 1.00 0.68 H new ATOM 0 HG1 THR A 8 -11.754 0.376 -10.958 1.00 0.70 H new ATOM 0 HG21 THR A 8 -12.820 -1.762 -11.171 1.00 0.86 H new ATOM 0 HG22 THR A 8 -11.985 -3.140 -10.416 1.00 0.86 H new ATOM 0 HG23 THR A 8 -12.751 -1.898 -9.398 1.00 0.86 H new ATOM 143 N LEU A 9 -7.733 -2.018 -9.915 1.00 0.68 N ATOM 144 CA LEU A 9 -6.346 -1.619 -10.167 1.00 0.67 C ATOM 145 C LEU A 9 -6.253 -0.205 -10.707 1.00 0.63 C ATOM 146 O LEU A 9 -5.480 0.595 -10.194 1.00 0.61 O ATOM 147 CB LEU A 9 -5.628 -2.563 -11.143 1.00 0.77 C ATOM 148 CG LEU A 9 -5.570 -4.033 -10.714 1.00 0.86 C ATOM 149 CD1 LEU A 9 -5.243 -4.132 -9.230 1.00 1.09 C ATOM 150 CD2 LEU A 9 -6.884 -4.760 -11.006 1.00 0.98 C ATOM 0 H LEU A 9 -7.949 -2.968 -10.218 1.00 0.68 H new ATOM 0 HA LEU A 9 -5.851 -1.673 -9.197 1.00 0.67 H new ATOM 0 HB2 LEU A 9 -6.126 -2.504 -12.111 1.00 0.77 H new ATOM 0 HB3 LEU A 9 -4.609 -2.204 -11.286 1.00 0.77 H new ATOM 0 HG LEU A 9 -4.784 -4.516 -11.295 1.00 0.86 H new ATOM 0 HD11 LEU A 9 -5.204 -5.181 -8.935 1.00 1.09 H new ATOM 0 HD12 LEU A 9 -4.277 -3.665 -9.038 1.00 1.09 H new ATOM 0 HD13 LEU A 9 -6.014 -3.621 -8.653 1.00 1.09 H new ATOM 0 HD21 LEU A 9 -6.803 -5.799 -10.688 1.00 0.98 H new ATOM 0 HD22 LEU A 9 -7.696 -4.276 -10.463 1.00 0.98 H new ATOM 0 HD23 LEU A 9 -7.090 -4.723 -12.076 1.00 0.98 H new ATOM 162 N GLU A 10 -7.032 0.099 -11.742 1.00 0.70 N ATOM 163 CA GLU A 10 -7.052 1.426 -12.327 1.00 0.71 C ATOM 164 C GLU A 10 -7.303 2.508 -11.288 1.00 0.57 C ATOM 165 O GLU A 10 -6.601 3.517 -11.298 1.00 0.60 O ATOM 166 CB GLU A 10 -8.133 1.492 -13.398 1.00 0.86 C ATOM 167 CG GLU A 10 -7.673 0.786 -14.672 1.00 1.60 C ATOM 168 CD GLU A 10 -8.395 1.417 -15.854 1.00 1.72 C ATOM 169 OE1 GLU A 10 -8.100 2.620 -16.071 1.00 2.53 O ATOM 170 OE2 GLU A 10 -9.226 0.717 -16.468 1.00 2.45 O ATOM 0 H GLU A 10 -7.661 -0.566 -12.192 1.00 0.70 H new ATOM 0 HA GLU A 10 -6.070 1.609 -12.764 1.00 0.71 H new ATOM 0 HB2 GLU A 10 -9.047 1.027 -13.028 1.00 0.86 H new ATOM 0 HB3 GLU A 10 -8.371 2.533 -13.618 1.00 0.86 H new ATOM 0 HG2 GLU A 10 -6.594 0.882 -14.791 1.00 1.60 H new ATOM 0 HG3 GLU A 10 -7.894 -0.280 -14.617 1.00 1.60 H new ATOM 177 N GLU A 11 -8.281 2.299 -10.409 1.00 0.51 N ATOM 178 CA GLU A 11 -8.607 3.224 -9.341 1.00 0.48 C ATOM 179 C GLU A 11 -7.396 3.420 -8.436 1.00 0.40 C ATOM 180 O GLU A 11 -7.014 4.548 -8.156 1.00 0.47 O ATOM 181 CB GLU A 11 -9.831 2.715 -8.563 1.00 0.58 C ATOM 182 CG GLU A 11 -10.406 3.771 -7.620 1.00 0.94 C ATOM 183 CD GLU A 11 -10.784 5.042 -8.383 1.00 1.04 C ATOM 184 OE1 GLU A 11 -9.910 5.925 -8.513 1.00 2.07 O ATOM 185 OE2 GLU A 11 -11.924 5.079 -8.892 1.00 1.77 O ATOM 0 H GLU A 11 -8.874 1.469 -10.424 1.00 0.51 H new ATOM 0 HA GLU A 11 -8.865 4.196 -9.761 1.00 0.48 H new ATOM 0 HB2 GLU A 11 -10.602 2.404 -9.268 1.00 0.58 H new ATOM 0 HB3 GLU A 11 -9.551 1.833 -7.988 1.00 0.58 H new ATOM 0 HG2 GLU A 11 -11.285 3.372 -7.114 1.00 0.94 H new ATOM 0 HG3 GLU A 11 -9.675 4.010 -6.848 1.00 0.94 H new ATOM 192 N ILE A 12 -6.698 2.353 -8.033 1.00 0.37 N ATOM 193 CA ILE A 12 -5.491 2.539 -7.237 1.00 0.47 C ATOM 194 C ILE A 12 -4.461 3.362 -8.008 1.00 0.55 C ATOM 195 O ILE A 12 -3.808 4.219 -7.417 1.00 0.69 O ATOM 196 CB ILE A 12 -4.918 1.185 -6.795 1.00 0.58 C ATOM 197 CG1 ILE A 12 -5.981 0.492 -5.936 1.00 0.52 C ATOM 198 CG2 ILE A 12 -3.595 1.275 -6.021 1.00 0.76 C ATOM 199 CD1 ILE A 12 -6.570 -0.702 -6.656 1.00 0.71 C ATOM 0 H ILE A 12 -6.941 1.384 -8.239 1.00 0.37 H new ATOM 0 HA ILE A 12 -5.750 3.095 -6.336 1.00 0.47 H new ATOM 0 HB ILE A 12 -4.680 0.619 -7.696 1.00 0.58 H new ATOM 0 HG12 ILE A 12 -5.538 0.170 -4.993 1.00 0.52 H new ATOM 0 HG13 ILE A 12 -6.773 1.200 -5.691 1.00 0.52 H new ATOM 0 HG21 ILE A 12 -3.264 0.273 -5.749 1.00 0.76 H new ATOM 0 HG22 ILE A 12 -2.839 1.749 -6.647 1.00 0.76 H new ATOM 0 HG23 ILE A 12 -3.742 1.867 -5.117 1.00 0.76 H new ATOM 0 HD11 ILE A 12 -7.321 -1.174 -6.023 1.00 0.71 H new ATOM 0 HD12 ILE A 12 -7.034 -0.374 -7.586 1.00 0.71 H new ATOM 0 HD13 ILE A 12 -5.780 -1.419 -6.878 1.00 0.71 H new ATOM 211 N LYS A 13 -4.315 3.164 -9.321 1.00 0.52 N ATOM 212 CA LYS A 13 -3.410 4.012 -10.097 1.00 0.70 C ATOM 213 C LYS A 13 -3.903 5.462 -10.132 1.00 0.81 C ATOM 214 O LYS A 13 -3.093 6.376 -10.263 1.00 1.42 O ATOM 215 CB LYS A 13 -3.193 3.458 -11.515 1.00 0.94 C ATOM 216 CG LYS A 13 -2.130 2.341 -11.552 1.00 1.33 C ATOM 217 CD LYS A 13 -2.718 0.927 -11.669 1.00 1.22 C ATOM 218 CE LYS A 13 -2.220 0.232 -12.941 1.00 1.37 C ATOM 219 NZ LYS A 13 -3.174 -0.795 -13.421 1.00 1.98 N ATOM 0 H LYS A 13 -4.798 2.443 -9.857 1.00 0.52 H new ATOM 0 HA LYS A 13 -2.442 4.004 -9.595 1.00 0.70 H new ATOM 0 HB2 LYS A 13 -4.137 3.071 -11.900 1.00 0.94 H new ATOM 0 HB3 LYS A 13 -2.888 4.269 -12.176 1.00 0.94 H new ATOM 0 HG2 LYS A 13 -1.461 2.517 -12.395 1.00 1.33 H new ATOM 0 HG3 LYS A 13 -1.525 2.399 -10.647 1.00 1.33 H new ATOM 0 HD2 LYS A 13 -2.438 0.339 -10.795 1.00 1.22 H new ATOM 0 HD3 LYS A 13 -3.807 0.981 -11.682 1.00 1.22 H new ATOM 0 HE2 LYS A 13 -2.063 0.975 -13.723 1.00 1.37 H new ATOM 0 HE3 LYS A 13 -1.254 -0.233 -12.746 1.00 1.37 H new ATOM 0 HZ1 LYS A 13 -2.907 -1.096 -14.380 1.00 1.98 H new ATOM 0 HZ2 LYS A 13 -3.152 -1.615 -12.782 1.00 1.98 H new ATOM 0 HZ3 LYS A 13 -4.134 -0.396 -13.438 1.00 1.98 H new ATOM 233 N LYS A 14 -5.198 5.707 -9.932 1.00 0.66 N ATOM 234 CA LYS A 14 -5.737 7.056 -9.792 1.00 0.76 C ATOM 235 C LYS A 14 -5.538 7.629 -8.382 1.00 0.90 C ATOM 236 O LYS A 14 -6.041 8.714 -8.113 1.00 1.30 O ATOM 237 CB LYS A 14 -7.215 7.090 -10.236 1.00 0.82 C ATOM 238 CG LYS A 14 -7.385 7.356 -11.746 1.00 1.31 C ATOM 239 CD LYS A 14 -7.726 6.134 -12.617 1.00 2.65 C ATOM 240 CE LYS A 14 -6.531 5.688 -13.471 1.00 4.36 C ATOM 241 NZ LYS A 14 -6.882 4.615 -14.438 1.00 5.88 N ATOM 0 H LYS A 14 -5.903 4.973 -9.863 1.00 0.66 H new ATOM 0 HA LYS A 14 -5.170 7.710 -10.454 1.00 0.76 H new ATOM 0 HB2 LYS A 14 -7.686 6.140 -9.985 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -7.739 7.864 -9.675 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -8.171 8.100 -11.876 1.00 1.31 H new ATOM 0 HG3 LYS A 14 -6.462 7.798 -12.122 1.00 1.31 H new ATOM 0 HD2 LYS A 14 -8.043 5.310 -11.978 1.00 2.65 H new ATOM 0 HD3 LYS A 14 -8.567 6.375 -13.267 1.00 2.65 H new ATOM 0 HE2 LYS A 14 -6.139 6.547 -14.015 1.00 4.36 H new ATOM 0 HE3 LYS A 14 -5.734 5.334 -12.816 1.00 4.36 H new ATOM 0 HZ1 LYS A 14 -6.421 3.727 -14.154 1.00 5.88 H new ATOM 0 HZ2 LYS A 14 -7.913 4.482 -14.449 1.00 5.88 H new ATOM 0 HZ3 LYS A 14 -6.557 4.884 -15.389 1.00 5.88 H new ATOM 255 N HIS A 15 -4.746 6.999 -7.503 1.00 0.69 N ATOM 256 CA HIS A 15 -4.456 7.550 -6.183 1.00 0.90 C ATOM 257 C HIS A 15 -2.962 7.904 -6.064 1.00 1.16 C ATOM 258 O HIS A 15 -2.459 8.321 -5.024 1.00 2.54 O ATOM 259 CB HIS A 15 -5.020 6.579 -5.137 1.00 1.04 C ATOM 260 CG HIS A 15 -6.496 6.821 -4.922 1.00 1.03 C ATOM 261 ND1 HIS A 15 -7.061 7.873 -4.229 1.00 1.28 N ATOM 262 CD2 HIS A 15 -7.519 6.068 -5.431 1.00 1.14 C ATOM 263 CE1 HIS A 15 -8.396 7.742 -4.321 1.00 1.39 C ATOM 264 NE2 HIS A 15 -8.725 6.655 -5.031 1.00 1.29 N ATOM 0 H HIS A 15 -4.295 6.103 -7.689 1.00 0.69 H new ATOM 0 HA HIS A 15 -4.950 8.505 -6.005 1.00 0.90 H new ATOM 0 HB2 HIS A 15 -4.859 5.552 -5.464 1.00 1.04 H new ATOM 0 HB3 HIS A 15 -4.486 6.701 -4.195 1.00 1.04 H new ATOM 0 HD2 HIS A 15 -7.414 5.178 -6.034 1.00 1.14 H new ATOM 0 HE1 HIS A 15 -9.109 8.423 -3.881 1.00 1.39 H new ATOM 0 HE2 HIS A 15 -9.666 6.322 -5.239 1.00 1.29 H new ATOM 272 N ASN A 16 -2.214 7.795 -7.165 1.00 1.19 N ATOM 273 CA ASN A 16 -0.764 7.946 -7.154 1.00 1.20 C ATOM 274 C ASN A 16 -0.395 9.400 -7.406 1.00 1.46 C ATOM 275 O ASN A 16 0.026 9.747 -8.507 1.00 2.24 O ATOM 276 CB ASN A 16 -0.124 7.066 -8.235 1.00 1.18 C ATOM 277 CG ASN A 16 -0.230 5.580 -7.960 1.00 1.90 C ATOM 278 OD1 ASN A 16 0.651 4.834 -8.346 1.00 3.06 O ATOM 279 ND2 ASN A 16 -1.288 5.120 -7.312 1.00 3.10 N ATOM 0 H ASN A 16 -2.601 7.599 -8.088 1.00 1.19 H new ATOM 0 HA ASN A 16 -0.392 7.636 -6.178 1.00 1.20 H new ATOM 0 HB2 ASN A 16 -0.597 7.283 -9.193 1.00 1.18 H new ATOM 0 HB3 ASN A 16 0.928 7.333 -8.331 1.00 1.18 H new ATOM 0 HD21 ASN A 16 -1.378 4.121 -7.126 1.00 3.10 H new ATOM 0 HD22 ASN A 16 -2.014 5.764 -6.998 1.00 3.10 H new ATOM 286 N HIS A 17 -0.548 10.264 -6.404 1.00 0.94 N ATOM 287 CA HIS A 17 -0.215 11.676 -6.571 1.00 1.17 C ATOM 288 C HIS A 17 0.612 12.180 -5.392 1.00 1.23 C ATOM 289 O HIS A 17 1.677 12.746 -5.601 1.00 2.74 O ATOM 290 CB HIS A 17 -1.483 12.507 -6.840 1.00 1.24 C ATOM 291 CG HIS A 17 -2.748 12.023 -6.171 1.00 1.91 C ATOM 292 ND1 HIS A 17 -3.410 12.611 -5.115 1.00 3.83 N ATOM 293 CD2 HIS A 17 -3.502 10.958 -6.580 1.00 1.76 C ATOM 294 CE1 HIS A 17 -4.530 11.901 -4.890 1.00 4.84 C ATOM 295 NE2 HIS A 17 -4.615 10.879 -5.746 1.00 3.60 N ATOM 0 H HIS A 17 -0.896 10.015 -5.478 1.00 0.94 H new ATOM 0 HA HIS A 17 0.415 11.796 -7.452 1.00 1.17 H new ATOM 0 HB2 HIS A 17 -1.296 13.532 -6.520 1.00 1.24 H new ATOM 0 HB3 HIS A 17 -1.653 12.535 -7.916 1.00 1.24 H new ATOM 0 HD2 HIS A 17 -3.275 10.296 -7.403 1.00 1.76 H new ATOM 0 HE1 HIS A 17 -5.258 12.126 -4.125 1.00 4.84 H new ATOM 0 HE2 HIS A 17 -5.353 10.176 -5.782 1.00 3.60 H new ATOM 303 N SER A 18 0.149 11.943 -4.164 1.00 1.34 N ATOM 304 CA SER A 18 0.822 12.292 -2.909 1.00 1.35 C ATOM 305 C SER A 18 -0.204 12.204 -1.791 1.00 1.51 C ATOM 306 O SER A 18 -0.007 11.506 -0.805 1.00 2.82 O ATOM 307 CB SER A 18 1.423 13.713 -2.931 1.00 1.47 C ATOM 308 OG SER A 18 2.808 13.717 -3.207 1.00 2.06 O ATOM 0 H SER A 18 -0.747 11.481 -4.008 1.00 1.34 H new ATOM 0 HA SER A 18 1.649 11.598 -2.759 1.00 1.35 H new ATOM 0 HB2 SER A 18 0.906 14.310 -3.682 1.00 1.47 H new ATOM 0 HB3 SER A 18 1.248 14.192 -1.968 1.00 1.47 H new ATOM 0 HG SER A 18 2.961 13.390 -4.118 1.00 2.06 H new ATOM 314 N LYS A 19 -1.356 12.851 -1.972 1.00 0.91 N ATOM 315 CA LYS A 19 -2.402 12.905 -0.953 1.00 0.98 C ATOM 316 C LYS A 19 -3.315 11.670 -0.984 1.00 1.03 C ATOM 317 O LYS A 19 -4.494 11.760 -0.659 1.00 1.65 O ATOM 318 CB LYS A 19 -3.160 14.246 -1.007 1.00 1.38 C ATOM 319 CG LYS A 19 -3.864 14.582 -2.332 1.00 2.32 C ATOM 320 CD LYS A 19 -3.056 15.498 -3.273 1.00 3.20 C ATOM 321 CE LYS A 19 -4.012 16.113 -4.311 1.00 4.62 C ATOM 322 NZ LYS A 19 -3.432 16.233 -5.670 1.00 6.11 N ATOM 0 H LYS A 19 -1.589 13.352 -2.829 1.00 0.91 H new ATOM 0 HA LYS A 19 -1.921 12.867 0.024 1.00 0.98 H new ATOM 0 HB2 LYS A 19 -3.907 14.248 -0.213 1.00 1.38 H new ATOM 0 HB3 LYS A 19 -2.455 15.046 -0.783 1.00 1.38 H new ATOM 0 HG2 LYS A 19 -4.088 13.652 -2.855 1.00 2.32 H new ATOM 0 HG3 LYS A 19 -4.818 15.061 -2.110 1.00 2.32 H new ATOM 0 HD2 LYS A 19 -2.563 16.285 -2.702 1.00 3.20 H new ATOM 0 HD3 LYS A 19 -2.273 14.928 -3.773 1.00 3.20 H new ATOM 0 HE2 LYS A 19 -4.914 15.503 -4.365 1.00 4.62 H new ATOM 0 HE3 LYS A 19 -4.316 17.102 -3.968 1.00 4.62 H new ATOM 0 HZ1 LYS A 19 -4.134 16.655 -6.311 1.00 6.11 H new ATOM 0 HZ2 LYS A 19 -2.587 16.839 -5.635 1.00 6.11 H new ATOM 0 HZ3 LYS A 19 -3.167 15.290 -6.019 1.00 6.11 H new ATOM 336 N SER A 20 -2.785 10.531 -1.426 1.00 0.76 N ATOM 337 CA SER A 20 -3.454 9.237 -1.520 1.00 0.76 C ATOM 338 C SER A 20 -2.446 8.156 -1.928 1.00 0.84 C ATOM 339 O SER A 20 -2.850 7.209 -2.582 1.00 1.77 O ATOM 340 CB SER A 20 -4.579 9.299 -2.560 1.00 0.82 C ATOM 341 OG SER A 20 -5.809 9.748 -2.029 1.00 1.52 O ATOM 0 H SER A 20 -1.818 10.485 -1.747 1.00 0.76 H new ATOM 0 HA SER A 20 -3.877 8.991 -0.546 1.00 0.76 H new ATOM 0 HB2 SER A 20 -4.278 9.962 -3.371 1.00 0.82 H new ATOM 0 HB3 SER A 20 -4.718 8.309 -2.993 1.00 0.82 H new ATOM 0 HG SER A 20 -5.650 10.512 -1.436 1.00 1.52 H new ATOM 347 N THR A 21 -1.152 8.267 -1.596 1.00 0.40 N ATOM 348 CA THR A 21 -0.163 7.217 -1.821 1.00 0.33 C ATOM 349 C THR A 21 -0.678 5.845 -1.382 1.00 0.32 C ATOM 350 O THR A 21 -0.503 5.413 -0.241 1.00 0.40 O ATOM 351 CB THR A 21 1.143 7.591 -1.119 1.00 0.38 C ATOM 352 OG1 THR A 21 1.565 8.825 -1.664 1.00 0.58 O ATOM 353 CG2 THR A 21 2.239 6.542 -1.306 1.00 0.41 C ATOM 0 H THR A 21 -0.763 9.102 -1.158 1.00 0.40 H new ATOM 0 HA THR A 21 0.027 7.137 -2.891 1.00 0.33 H new ATOM 0 HB THR A 21 0.964 7.655 -0.046 1.00 0.38 H new ATOM 0 HG1 THR A 21 2.448 8.716 -2.075 1.00 0.58 H new ATOM 0 HG21 THR A 21 3.142 6.862 -0.786 1.00 0.41 H new ATOM 0 HG22 THR A 21 1.904 5.589 -0.898 1.00 0.41 H new ATOM 0 HG23 THR A 21 2.454 6.426 -2.368 1.00 0.41 H new ATOM 361 N TRP A 22 -1.325 5.166 -2.325 1.00 0.31 N ATOM 362 CA TRP A 22 -1.810 3.820 -2.182 1.00 0.31 C ATOM 363 C TRP A 22 -0.792 2.913 -2.815 1.00 0.31 C ATOM 364 O TRP A 22 0.159 3.381 -3.436 1.00 0.35 O ATOM 365 CB TRP A 22 -3.158 3.699 -2.893 1.00 0.35 C ATOM 366 CG TRP A 22 -4.304 4.307 -2.160 1.00 0.35 C ATOM 367 CD1 TRP A 22 -4.232 5.043 -1.029 1.00 0.42 C ATOM 368 CD2 TRP A 22 -5.717 4.221 -2.484 1.00 0.38 C ATOM 369 NE1 TRP A 22 -5.496 5.437 -0.647 1.00 0.47 N ATOM 370 CE2 TRP A 22 -6.448 4.980 -1.526 1.00 0.45 C ATOM 371 CE3 TRP A 22 -6.449 3.571 -3.495 1.00 0.45 C ATOM 372 CZ2 TRP A 22 -7.835 5.136 -1.597 1.00 0.55 C ATOM 373 CZ3 TRP A 22 -7.844 3.714 -3.579 1.00 0.55 C ATOM 374 CH2 TRP A 22 -8.525 4.524 -2.653 1.00 0.59 C ATOM 0 H TRP A 22 -1.528 5.565 -3.242 1.00 0.31 H new ATOM 0 HA TRP A 22 -1.951 3.551 -1.135 1.00 0.31 H new ATOM 0 HB2 TRP A 22 -3.080 4.170 -3.873 1.00 0.35 H new ATOM 0 HB3 TRP A 22 -3.371 2.643 -3.062 1.00 0.35 H new ATOM 0 HD1 TRP A 22 -3.320 5.286 -0.503 1.00 0.42 H new ATOM 0 HE1 TRP A 22 -5.699 5.996 0.182 1.00 0.47 H new ATOM 0 HE3 TRP A 22 -5.932 2.955 -4.215 1.00 0.45 H new ATOM 0 HZ2 TRP A 22 -8.364 5.715 -0.855 1.00 0.55 H new ATOM 0 HZ3 TRP A 22 -8.394 3.202 -4.355 1.00 0.55 H new ATOM 0 HH2 TRP A 22 -9.589 4.676 -2.756 1.00 0.59 H new ATOM 385 N LEU A 23 -1.007 1.615 -2.675 1.00 0.34 N ATOM 386 CA LEU A 23 -0.162 0.582 -3.225 1.00 0.38 C ATOM 387 C LEU A 23 -0.917 -0.739 -3.060 1.00 0.46 C ATOM 388 O LEU A 23 -1.962 -0.793 -2.406 1.00 0.55 O ATOM 389 CB LEU A 23 1.236 0.659 -2.572 1.00 0.35 C ATOM 390 CG LEU A 23 1.244 0.791 -1.040 1.00 0.36 C ATOM 391 CD1 LEU A 23 0.979 -0.555 -0.407 1.00 0.47 C ATOM 392 CD2 LEU A 23 2.613 1.270 -0.545 1.00 0.40 C ATOM 0 H LEU A 23 -1.804 1.245 -2.156 1.00 0.34 H new ATOM 0 HA LEU A 23 0.041 0.696 -4.290 1.00 0.38 H new ATOM 0 HB2 LEU A 23 1.795 -0.236 -2.845 1.00 0.35 H new ATOM 0 HB3 LEU A 23 1.769 1.510 -2.995 1.00 0.35 H new ATOM 0 HG LEU A 23 0.472 1.510 -0.765 1.00 0.36 H new ATOM 0 HD11 LEU A 23 0.986 -0.454 0.678 1.00 0.47 H new ATOM 0 HD12 LEU A 23 0.006 -0.924 -0.731 1.00 0.47 H new ATOM 0 HD13 LEU A 23 1.754 -1.259 -0.711 1.00 0.47 H new ATOM 0 HD21 LEU A 23 2.597 1.357 0.541 1.00 0.40 H new ATOM 0 HD22 LEU A 23 3.378 0.552 -0.841 1.00 0.40 H new ATOM 0 HD23 LEU A 23 2.839 2.242 -0.983 1.00 0.40 H new ATOM 404 N ILE A 24 -0.400 -1.815 -3.638 1.00 0.46 N ATOM 405 CA ILE A 24 -0.959 -3.147 -3.571 1.00 0.52 C ATOM 406 C ILE A 24 0.073 -3.873 -2.728 1.00 0.50 C ATOM 407 O ILE A 24 1.075 -4.380 -3.240 1.00 0.48 O ATOM 408 CB ILE A 24 -0.946 -3.725 -5.003 1.00 0.63 C ATOM 409 CG1 ILE A 24 -2.125 -3.133 -5.744 1.00 0.55 C ATOM 410 CG2 ILE A 24 -1.099 -5.249 -5.127 1.00 1.02 C ATOM 411 CD1 ILE A 24 -1.800 -2.866 -7.228 1.00 2.00 C ATOM 0 H ILE A 24 0.458 -1.775 -4.189 1.00 0.46 H new ATOM 0 HA ILE A 24 -1.973 -3.212 -3.177 1.00 0.52 H new ATOM 0 HB ILE A 24 0.038 -3.474 -5.399 1.00 0.63 H new ATOM 0 HG12 ILE A 24 -2.974 -3.813 -5.676 1.00 0.55 H new ATOM 0 HG13 ILE A 24 -2.423 -2.201 -5.265 1.00 0.55 H new ATOM 0 HG21 ILE A 24 -1.075 -5.533 -6.179 1.00 1.02 H new ATOM 0 HG22 ILE A 24 -0.282 -5.741 -4.600 1.00 1.02 H new ATOM 0 HG23 ILE A 24 -2.049 -5.556 -4.690 1.00 1.02 H new ATOM 0 HD11 ILE A 24 -2.674 -2.441 -7.721 1.00 2.00 H new ATOM 0 HD12 ILE A 24 -0.968 -2.165 -7.298 1.00 2.00 H new ATOM 0 HD13 ILE A 24 -1.528 -3.802 -7.715 1.00 2.00 H new ATOM 423 N LEU A 25 -0.095 -3.842 -1.418 1.00 0.71 N ATOM 424 CA LEU A 25 0.615 -4.760 -0.573 1.00 0.68 C ATOM 425 C LEU A 25 -0.373 -5.856 -0.274 1.00 0.90 C ATOM 426 O LEU A 25 -1.289 -5.673 0.525 1.00 1.45 O ATOM 427 CB LEU A 25 1.124 -4.041 0.668 1.00 0.72 C ATOM 428 CG LEU A 25 2.524 -3.489 0.415 1.00 0.58 C ATOM 429 CD1 LEU A 25 2.920 -2.454 1.455 1.00 0.80 C ATOM 430 CD2 LEU A 25 3.552 -4.590 0.463 1.00 0.61 C ATOM 0 H LEU A 25 -0.713 -3.195 -0.928 1.00 0.71 H new ATOM 0 HA LEU A 25 1.507 -5.180 -1.038 1.00 0.68 H new ATOM 0 HB2 LEU A 25 0.446 -3.229 0.931 1.00 0.72 H new ATOM 0 HB3 LEU A 25 1.143 -4.728 1.514 1.00 0.72 H new ATOM 0 HG LEU A 25 2.496 -3.029 -0.573 1.00 0.58 H new ATOM 0 HD11 LEU A 25 3.923 -2.086 1.239 1.00 0.80 H new ATOM 0 HD12 LEU A 25 2.215 -1.623 1.428 1.00 0.80 H new ATOM 0 HD13 LEU A 25 2.906 -2.909 2.445 1.00 0.80 H new ATOM 0 HD21 LEU A 25 4.542 -4.172 0.280 1.00 0.61 H new ATOM 0 HD22 LEU A 25 3.534 -5.062 1.445 1.00 0.61 H new ATOM 0 HD23 LEU A 25 3.325 -5.333 -0.301 1.00 0.61 H new ATOM 442 N HIS A 26 -0.172 -6.985 -0.948 1.00 0.69 N ATOM 443 CA HIS A 26 -0.976 -8.176 -0.836 1.00 0.85 C ATOM 444 C HIS A 26 -2.280 -7.952 -1.620 1.00 1.06 C ATOM 445 O HIS A 26 -2.476 -6.944 -2.288 1.00 2.78 O ATOM 446 CB HIS A 26 -1.132 -8.567 0.656 1.00 1.10 C ATOM 447 CG HIS A 26 0.158 -8.414 1.446 1.00 1.35 C ATOM 448 ND1 HIS A 26 1.321 -9.134 1.264 1.00 1.92 N ATOM 449 CD2 HIS A 26 0.428 -7.435 2.369 1.00 1.74 C ATOM 450 CE1 HIS A 26 2.259 -8.603 2.068 1.00 2.46 C ATOM 451 NE2 HIS A 26 1.765 -7.563 2.754 1.00 2.29 N ATOM 0 H HIS A 26 0.593 -7.089 -1.615 1.00 0.69 H new ATOM 0 HA HIS A 26 -0.503 -9.047 -1.290 1.00 0.85 H new ATOM 0 HB2 HIS A 26 -1.906 -7.947 1.110 1.00 1.10 H new ATOM 0 HB3 HIS A 26 -1.472 -9.601 0.722 1.00 1.10 H new ATOM 0 HD2 HIS A 26 -0.270 -6.696 2.734 1.00 1.74 H new ATOM 0 HE1 HIS A 26 3.273 -8.965 2.150 1.00 2.46 H new ATOM 0 HE2 HIS A 26 2.266 -6.980 3.425 1.00 2.29 H new ATOM 459 N HIS A 27 -3.164 -8.934 -1.548 1.00 1.11 N ATOM 460 CA HIS A 27 -4.568 -9.015 -1.935 1.00 1.29 C ATOM 461 C HIS A 27 -5.432 -8.097 -1.064 1.00 1.20 C ATOM 462 O HIS A 27 -6.536 -8.454 -0.655 1.00 1.36 O ATOM 463 CB HIS A 27 -5.046 -10.484 -1.880 1.00 1.49 C ATOM 464 CG HIS A 27 -4.752 -11.245 -0.602 1.00 2.43 C ATOM 465 ND1 HIS A 27 -3.927 -12.343 -0.480 1.00 2.71 N ATOM 466 CD2 HIS A 27 -5.339 -11.043 0.618 1.00 4.01 C ATOM 467 CE1 HIS A 27 -4.006 -12.772 0.795 1.00 3.68 C ATOM 468 NE2 HIS A 27 -4.848 -12.004 1.506 1.00 4.56 N ATOM 0 H HIS A 27 -2.868 -9.828 -1.157 1.00 1.11 H new ATOM 0 HA HIS A 27 -4.674 -8.666 -2.962 1.00 1.29 H new ATOM 0 HB2 HIS A 27 -6.123 -10.498 -2.045 1.00 1.49 H new ATOM 0 HB3 HIS A 27 -4.589 -11.023 -2.710 1.00 1.49 H new ATOM 0 HD2 HIS A 27 -6.058 -10.273 0.854 1.00 4.01 H new ATOM 0 HE1 HIS A 27 -3.465 -13.619 1.192 1.00 3.68 H new ATOM 0 HE2 HIS A 27 -5.082 -12.102 2.494 1.00 4.56 H new ATOM 476 N LYS A 28 -4.925 -6.911 -0.746 1.00 1.04 N ATOM 477 CA LYS A 28 -5.667 -5.845 -0.121 1.00 0.86 C ATOM 478 C LYS A 28 -5.075 -4.546 -0.646 1.00 0.66 C ATOM 479 O LYS A 28 -3.956 -4.525 -1.151 1.00 0.76 O ATOM 480 CB LYS A 28 -5.587 -5.967 1.405 1.00 1.09 C ATOM 481 CG LYS A 28 -6.864 -6.597 1.991 1.00 1.53 C ATOM 482 CD LYS A 28 -6.601 -7.871 2.801 1.00 1.66 C ATOM 483 CE LYS A 28 -7.935 -8.316 3.409 1.00 2.19 C ATOM 484 NZ LYS A 28 -8.186 -9.760 3.222 1.00 2.79 N ATOM 0 H LYS A 28 -3.951 -6.666 -0.926 1.00 1.04 H new ATOM 0 HA LYS A 28 -6.729 -5.884 -0.362 1.00 0.86 H new ATOM 0 HB2 LYS A 28 -4.723 -6.574 1.677 1.00 1.09 H new ATOM 0 HB3 LYS A 28 -5.434 -4.980 1.842 1.00 1.09 H new ATOM 0 HG2 LYS A 28 -7.360 -5.866 2.629 1.00 1.53 H new ATOM 0 HG3 LYS A 28 -7.552 -6.829 1.178 1.00 1.53 H new ATOM 0 HD2 LYS A 28 -6.191 -8.653 2.162 1.00 1.66 H new ATOM 0 HD3 LYS A 28 -5.867 -7.682 3.584 1.00 1.66 H new ATOM 0 HE2 LYS A 28 -7.941 -8.084 4.474 1.00 2.19 H new ATOM 0 HE3 LYS A 28 -8.746 -7.747 2.954 1.00 2.19 H new ATOM 0 HZ1 LYS A 28 -9.100 -10.012 3.650 1.00 2.79 H new ATOM 0 HZ2 LYS A 28 -8.208 -9.980 2.206 1.00 2.79 H new ATOM 0 HZ3 LYS A 28 -7.428 -10.306 3.678 1.00 2.79 H new ATOM 498 N VAL A 29 -5.823 -3.455 -0.568 1.00 0.50 N ATOM 499 CA VAL A 29 -5.366 -2.192 -1.071 1.00 0.39 C ATOM 500 C VAL A 29 -4.913 -1.469 0.174 1.00 0.36 C ATOM 501 O VAL A 29 -5.676 -1.354 1.136 1.00 0.35 O ATOM 502 CB VAL A 29 -6.563 -1.495 -1.680 1.00 0.31 C ATOM 503 CG1 VAL A 29 -6.315 -0.042 -2.001 1.00 0.64 C ATOM 504 CG2 VAL A 29 -7.218 -2.175 -2.864 1.00 0.78 C ATOM 0 H VAL A 29 -6.755 -3.432 -0.155 1.00 0.50 H new ATOM 0 HA VAL A 29 -4.579 -2.249 -1.823 1.00 0.39 H new ATOM 0 HB VAL A 29 -7.283 -1.569 -0.865 1.00 0.31 H new ATOM 0 HG11 VAL A 29 -7.215 0.394 -2.434 1.00 0.64 H new ATOM 0 HG12 VAL A 29 -6.056 0.493 -1.088 1.00 0.64 H new ATOM 0 HG13 VAL A 29 -5.494 0.038 -2.714 1.00 0.64 H new ATOM 0 HG21 VAL A 29 -8.062 -1.576 -3.207 1.00 0.78 H new ATOM 0 HG22 VAL A 29 -6.493 -2.277 -3.672 1.00 0.78 H new ATOM 0 HG23 VAL A 29 -7.571 -3.162 -2.567 1.00 0.78 H new ATOM 514 N TYR A 30 -3.665 -1.037 0.181 1.00 0.50 N ATOM 515 CA TYR A 30 -3.092 -0.377 1.317 1.00 0.58 C ATOM 516 C TYR A 30 -2.922 1.090 0.954 1.00 0.56 C ATOM 517 O TYR A 30 -2.815 1.457 -0.218 1.00 0.56 O ATOM 518 CB TYR A 30 -1.746 -1.033 1.580 1.00 0.70 C ATOM 519 CG TYR A 30 -1.707 -2.282 2.424 1.00 0.67 C ATOM 520 CD1 TYR A 30 -2.798 -3.161 2.509 1.00 1.61 C ATOM 521 CD2 TYR A 30 -0.506 -2.606 3.070 1.00 2.09 C ATOM 522 CE1 TYR A 30 -2.703 -4.324 3.288 1.00 1.52 C ATOM 523 CE2 TYR A 30 -0.374 -3.814 3.764 1.00 2.26 C ATOM 524 CZ TYR A 30 -1.491 -4.656 3.923 1.00 0.90 C ATOM 525 OH TYR A 30 -1.404 -5.757 4.720 1.00 1.04 O ATOM 0 H TYR A 30 -3.027 -1.139 -0.608 1.00 0.50 H new ATOM 0 HA TYR A 30 -3.713 -0.453 2.209 1.00 0.58 H new ATOM 0 HB2 TYR A 30 -1.299 -1.271 0.615 1.00 0.70 H new ATOM 0 HB3 TYR A 30 -1.103 -0.292 2.055 1.00 0.70 H new ATOM 0 HD1 TYR A 30 -3.711 -2.942 1.975 1.00 1.61 H new ATOM 0 HD2 TYR A 30 0.325 -1.917 3.032 1.00 2.09 H new ATOM 0 HE1 TYR A 30 -3.563 -4.967 3.401 1.00 1.52 H new ATOM 0 HE2 TYR A 30 0.582 -4.100 4.177 1.00 2.26 H new ATOM 0 HH TYR A 30 -0.484 -6.094 4.714 1.00 1.04 H new ATOM 535 N ASP A 31 -2.845 1.913 1.986 1.00 0.64 N ATOM 536 CA ASP A 31 -2.804 3.350 1.927 1.00 0.56 C ATOM 537 C ASP A 31 -1.902 3.786 3.052 1.00 0.54 C ATOM 538 O ASP A 31 -2.213 3.595 4.226 1.00 0.76 O ATOM 539 CB ASP A 31 -4.206 3.912 2.114 1.00 0.71 C ATOM 540 CG ASP A 31 -4.229 5.433 2.148 1.00 0.71 C ATOM 541 OD1 ASP A 31 -3.134 6.027 2.056 1.00 1.65 O ATOM 542 OD2 ASP A 31 -5.339 6.006 2.140 1.00 1.74 O ATOM 0 H ASP A 31 -2.808 1.565 2.944 1.00 0.64 H new ATOM 0 HA ASP A 31 -2.434 3.709 0.967 1.00 0.56 H new ATOM 0 HB2 ASP A 31 -4.845 3.561 1.304 1.00 0.71 H new ATOM 0 HB3 ASP A 31 -4.627 3.525 3.042 1.00 0.71 H new ATOM 547 N LEU A 32 -0.749 4.323 2.677 1.00 0.40 N ATOM 548 CA LEU A 32 0.227 4.787 3.631 1.00 0.45 C ATOM 549 C LEU A 32 0.475 6.266 3.375 1.00 0.40 C ATOM 550 O LEU A 32 1.545 6.775 3.656 1.00 0.45 O ATOM 551 CB LEU A 32 1.493 3.913 3.634 1.00 0.68 C ATOM 552 CG LEU A 32 1.572 2.768 2.620 1.00 0.39 C ATOM 553 CD1 LEU A 32 2.986 2.200 2.688 1.00 0.45 C ATOM 554 CD2 LEU A 32 0.546 1.679 2.925 1.00 0.78 C ATOM 0 H LEU A 32 -0.472 4.445 1.703 1.00 0.40 H new ATOM 0 HA LEU A 32 -0.152 4.686 4.648 1.00 0.45 H new ATOM 0 HB2 LEU A 32 2.351 4.565 3.470 1.00 0.68 H new ATOM 0 HB3 LEU A 32 1.603 3.486 4.631 1.00 0.68 H new ATOM 0 HG LEU A 32 1.348 3.141 1.621 1.00 0.39 H new ATOM 0 HD11 LEU A 32 3.083 1.379 1.978 1.00 0.45 H new ATOM 0 HD12 LEU A 32 3.704 2.981 2.440 1.00 0.45 H new ATOM 0 HD13 LEU A 32 3.183 1.833 3.695 1.00 0.45 H new ATOM 0 HD21 LEU A 32 0.630 0.882 2.186 1.00 0.78 H new ATOM 0 HD22 LEU A 32 0.731 1.273 3.919 1.00 0.78 H new ATOM 0 HD23 LEU A 32 -0.457 2.104 2.888 1.00 0.78 H new ATOM 566 N THR A 33 -0.517 6.993 2.874 1.00 0.39 N ATOM 567 CA THR A 33 -0.455 8.417 2.628 1.00 0.37 C ATOM 568 C THR A 33 -0.122 9.173 3.902 1.00 0.35 C ATOM 569 O THR A 33 0.874 9.886 3.962 1.00 0.46 O ATOM 570 CB THR A 33 -1.837 8.820 2.114 1.00 0.57 C ATOM 571 OG1 THR A 33 -2.038 8.207 0.877 1.00 1.61 O ATOM 572 CG2 THR A 33 -1.992 10.307 1.887 1.00 0.82 C ATOM 0 H THR A 33 -1.417 6.586 2.621 1.00 0.39 H new ATOM 0 HA THR A 33 0.326 8.656 1.906 1.00 0.37 H new ATOM 0 HB THR A 33 -2.553 8.515 2.877 1.00 0.57 H new ATOM 0 HG1 THR A 33 -2.454 7.330 1.010 1.00 1.61 H new ATOM 0 HG21 THR A 33 -2.998 10.517 1.523 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.828 10.837 2.825 1.00 0.82 H new ATOM 0 HG23 THR A 33 -1.262 10.640 1.149 1.00 0.82 H new ATOM 580 N LYS A 34 -0.929 8.997 4.950 1.00 0.35 N ATOM 581 CA LYS A 34 -0.642 9.655 6.215 1.00 0.38 C ATOM 582 C LYS A 34 0.571 9.007 6.881 1.00 0.34 C ATOM 583 O LYS A 34 1.063 9.519 7.875 1.00 0.43 O ATOM 584 CB LYS A 34 -1.878 9.624 7.128 1.00 0.53 C ATOM 585 CG LYS A 34 -1.718 10.582 8.323 1.00 1.23 C ATOM 586 CD LYS A 34 -1.849 9.844 9.658 1.00 1.29 C ATOM 587 CE LYS A 34 -1.252 10.691 10.786 1.00 2.14 C ATOM 588 NZ LYS A 34 -2.140 10.809 11.958 1.00 2.45 N ATOM 0 H LYS A 34 -1.768 8.416 4.945 1.00 0.35 H new ATOM 0 HA LYS A 34 -0.400 10.701 6.028 1.00 0.38 H new ATOM 0 HB2 LYS A 34 -2.763 9.900 6.554 1.00 0.53 H new ATOM 0 HB3 LYS A 34 -2.038 8.609 7.492 1.00 0.53 H new ATOM 0 HG2 LYS A 34 -0.745 11.071 8.271 1.00 1.23 H new ATOM 0 HG3 LYS A 34 -2.472 11.367 8.265 1.00 1.23 H new ATOM 0 HD2 LYS A 34 -2.898 9.635 9.866 1.00 1.29 H new ATOM 0 HD3 LYS A 34 -1.337 8.883 9.604 1.00 1.29 H new ATOM 0 HE2 LYS A 34 -0.305 10.252 11.099 1.00 2.14 H new ATOM 0 HE3 LYS A 34 -1.030 11.688 10.405 1.00 2.14 H new ATOM 0 HZ1 LYS A 34 -1.680 11.393 12.685 1.00 2.45 H new ATOM 0 HZ2 LYS A 34 -3.035 11.254 11.672 1.00 2.45 H new ATOM 0 HZ3 LYS A 34 -2.332 9.863 12.345 1.00 2.45 H new ATOM 602 N PHE A 35 1.061 7.892 6.338 1.00 0.32 N ATOM 603 CA PHE A 35 2.159 7.145 6.900 1.00 0.31 C ATOM 604 C PHE A 35 3.458 7.398 6.160 1.00 0.31 C ATOM 605 O PHE A 35 4.500 6.973 6.615 1.00 0.33 O ATOM 606 CB PHE A 35 1.840 5.668 6.796 1.00 0.33 C ATOM 607 CG PHE A 35 2.865 4.805 7.485 1.00 0.29 C ATOM 608 CD1 PHE A 35 3.094 4.952 8.864 1.00 1.41 C ATOM 609 CD2 PHE A 35 3.602 3.866 6.743 1.00 1.36 C ATOM 610 CE1 PHE A 35 4.076 4.175 9.495 1.00 1.43 C ATOM 611 CE2 PHE A 35 4.525 3.036 7.388 1.00 1.35 C ATOM 612 CZ PHE A 35 4.791 3.221 8.757 1.00 0.35 C ATOM 0 H PHE A 35 0.691 7.485 5.479 1.00 0.32 H new ATOM 0 HA PHE A 35 2.285 7.462 7.935 1.00 0.31 H new ATOM 0 HB2 PHE A 35 0.859 5.480 7.233 1.00 0.33 H new ATOM 0 HB3 PHE A 35 1.780 5.386 5.745 1.00 0.33 H new ATOM 0 HD1 PHE A 35 2.515 5.662 9.436 1.00 1.41 H new ATOM 0 HD2 PHE A 35 3.456 3.785 5.676 1.00 1.36 H new ATOM 0 HE1 PHE A 35 4.281 4.311 10.547 1.00 1.43 H new ATOM 0 HE2 PHE A 35 5.031 2.257 6.838 1.00 1.35 H new ATOM 0 HZ PHE A 35 5.550 2.625 9.242 1.00 0.35 H new ATOM 622 N LEU A 36 3.417 8.073 5.020 1.00 0.32 N ATOM 623 CA LEU A 36 4.581 8.354 4.195 1.00 0.43 C ATOM 624 C LEU A 36 5.681 8.957 5.049 1.00 0.51 C ATOM 625 O LEU A 36 6.675 8.292 5.327 1.00 0.63 O ATOM 626 CB LEU A 36 4.121 9.340 3.091 1.00 0.42 C ATOM 627 CG LEU A 36 3.503 8.757 1.821 1.00 0.50 C ATOM 628 CD1 LEU A 36 3.290 9.869 0.786 1.00 1.00 C ATOM 629 CD2 LEU A 36 4.418 7.667 1.299 1.00 0.65 C ATOM 0 H LEU A 36 2.551 8.449 4.634 1.00 0.32 H new ATOM 0 HA LEU A 36 4.983 7.447 3.744 1.00 0.43 H new ATOM 0 HB2 LEU A 36 3.394 10.021 3.533 1.00 0.42 H new ATOM 0 HB3 LEU A 36 4.983 9.939 2.798 1.00 0.42 H new ATOM 0 HG LEU A 36 2.526 8.322 2.032 1.00 0.50 H new ATOM 0 HD11 LEU A 36 2.849 9.446 -0.117 1.00 1.00 H new ATOM 0 HD12 LEU A 36 2.621 10.625 1.197 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.248 10.327 0.542 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.993 7.239 0.391 1.00 0.65 H new ATOM 0 HD22 LEU A 36 5.398 8.090 1.076 1.00 0.65 H new ATOM 0 HD23 LEU A 36 4.523 6.888 2.054 1.00 0.65 H new ATOM 641 N GLU A 37 5.504 10.199 5.485 1.00 0.65 N ATOM 642 CA GLU A 37 6.472 10.828 6.366 1.00 0.78 C ATOM 643 C GLU A 37 6.448 10.192 7.765 1.00 0.78 C ATOM 644 O GLU A 37 7.374 10.377 8.550 1.00 1.37 O ATOM 645 CB GLU A 37 6.177 12.331 6.425 1.00 0.90 C ATOM 646 CG GLU A 37 4.704 12.635 6.754 1.00 2.09 C ATOM 647 CD GLU A 37 4.527 13.970 7.483 1.00 2.94 C ATOM 648 OE1 GLU A 37 5.181 14.147 8.534 1.00 3.75 O ATOM 649 OE2 GLU A 37 3.718 14.789 6.991 1.00 3.63 O ATOM 0 H GLU A 37 4.704 10.784 5.243 1.00 0.65 H new ATOM 0 HA GLU A 37 7.477 10.674 5.973 1.00 0.78 H new ATOM 0 HB2 GLU A 37 6.816 12.793 7.177 1.00 0.90 H new ATOM 0 HB3 GLU A 37 6.432 12.785 5.468 1.00 0.90 H new ATOM 0 HG2 GLU A 37 4.125 12.650 5.831 1.00 2.09 H new ATOM 0 HG3 GLU A 37 4.300 11.832 7.371 1.00 2.09 H new ATOM 656 N GLU A 38 5.411 9.415 8.085 1.00 0.56 N ATOM 657 CA GLU A 38 5.272 8.737 9.367 1.00 0.61 C ATOM 658 C GLU A 38 5.947 7.349 9.352 1.00 0.57 C ATOM 659 O GLU A 38 5.897 6.649 10.364 1.00 0.74 O ATOM 660 CB GLU A 38 3.773 8.669 9.736 1.00 0.79 C ATOM 661 CG GLU A 38 3.439 9.281 11.106 1.00 1.02 C ATOM 662 CD GLU A 38 1.926 9.339 11.397 1.00 1.57 C ATOM 663 OE1 GLU A 38 1.184 8.441 10.942 1.00 2.26 O ATOM 664 OE2 GLU A 38 1.496 10.284 12.104 1.00 2.78 O ATOM 0 H GLU A 38 4.634 9.239 7.448 1.00 0.56 H new ATOM 0 HA GLU A 38 5.791 9.304 10.140 1.00 0.61 H new ATOM 0 HB2 GLU A 38 3.196 9.185 8.968 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.454 7.627 9.727 1.00 0.79 H new ATOM 0 HG2 GLU A 38 3.930 8.698 11.886 1.00 1.02 H new ATOM 0 HG3 GLU A 38 3.850 10.289 11.155 1.00 1.02 H new ATOM 671 N HIS A 39 6.576 6.934 8.237 1.00 0.46 N ATOM 672 CA HIS A 39 7.199 5.623 8.088 1.00 0.47 C ATOM 673 C HIS A 39 8.625 5.711 8.603 1.00 0.49 C ATOM 674 O HIS A 39 9.388 6.547 8.123 1.00 0.74 O ATOM 675 CB HIS A 39 7.168 5.127 6.637 1.00 0.50 C ATOM 676 CG HIS A 39 7.900 3.828 6.320 1.00 0.35 C ATOM 677 ND1 HIS A 39 8.824 3.734 5.323 1.00 0.53 N ATOM 678 CD2 HIS A 39 7.678 2.546 6.769 1.00 0.37 C ATOM 679 CE1 HIS A 39 9.136 2.451 5.123 1.00 0.58 C ATOM 680 NE2 HIS A 39 8.440 1.679 5.965 1.00 0.37 N ATOM 0 H HIS A 39 6.662 7.517 7.405 1.00 0.46 H new ATOM 0 HA HIS A 39 6.633 4.895 8.669 1.00 0.47 H new ATOM 0 HB2 HIS A 39 6.125 5.004 6.346 1.00 0.50 H new ATOM 0 HB3 HIS A 39 7.585 5.911 6.005 1.00 0.50 H new ATOM 0 HD1 HIS A 39 9.217 4.522 4.809 1.00 0.53 H new ATOM 0 HD2 HIS A 39 7.036 2.258 7.589 1.00 0.37 H new ATOM 0 HE1 HIS A 39 9.844 2.091 4.391 1.00 0.58 H new ATOM 688 N PRO A 40 8.992 4.866 9.574 1.00 0.63 N ATOM 689 CA PRO A 40 10.323 4.836 10.135 1.00 0.62 C ATOM 690 C PRO A 40 11.296 4.209 9.135 1.00 0.96 C ATOM 691 O PRO A 40 11.597 3.019 9.191 1.00 1.85 O ATOM 692 CB PRO A 40 10.189 4.070 11.456 1.00 0.99 C ATOM 693 CG PRO A 40 8.946 3.199 11.281 1.00 1.37 C ATOM 694 CD PRO A 40 8.125 3.884 10.198 1.00 1.13 C ATOM 0 HA PRO A 40 10.737 5.824 10.335 1.00 0.62 H new ATOM 0 HB2 PRO A 40 11.073 3.463 11.652 1.00 0.99 H new ATOM 0 HB3 PRO A 40 10.078 4.752 12.299 1.00 0.99 H new ATOM 0 HG2 PRO A 40 9.215 2.184 10.988 1.00 1.37 H new ATOM 0 HG3 PRO A 40 8.384 3.124 12.212 1.00 1.37 H new ATOM 0 HD2 PRO A 40 7.771 3.159 9.465 1.00 1.13 H new ATOM 0 HD3 PRO A 40 7.244 4.362 10.625 1.00 1.13 H new ATOM 702 N GLY A 41 11.789 5.031 8.206 1.00 0.61 N ATOM 703 CA GLY A 41 12.754 4.632 7.202 1.00 0.97 C ATOM 704 C GLY A 41 12.741 5.612 6.034 1.00 0.59 C ATOM 705 O GLY A 41 13.657 6.418 5.907 1.00 0.88 O ATOM 0 H GLY A 41 11.517 6.012 8.137 1.00 0.61 H new ATOM 0 HA2 GLY A 41 13.751 4.593 7.641 1.00 0.97 H new ATOM 0 HA3 GLY A 41 12.524 3.628 6.845 1.00 0.97 H new ATOM 709 N GLY A 42 11.727 5.534 5.167 1.00 0.50 N ATOM 710 CA GLY A 42 11.614 6.436 4.020 1.00 0.75 C ATOM 711 C GLY A 42 10.193 6.579 3.489 1.00 0.51 C ATOM 712 O GLY A 42 9.499 5.594 3.294 1.00 1.22 O ATOM 0 H GLY A 42 10.971 4.853 5.239 1.00 0.50 H new ATOM 0 HA2 GLY A 42 11.986 7.420 4.305 1.00 0.75 H new ATOM 0 HA3 GLY A 42 12.257 6.072 3.218 1.00 0.75 H new ATOM 716 N GLU A 43 9.773 7.785 3.145 1.00 0.72 N ATOM 717 CA GLU A 43 8.493 8.016 2.486 1.00 0.48 C ATOM 718 C GLU A 43 8.559 7.705 0.990 1.00 0.42 C ATOM 719 O GLU A 43 7.591 7.256 0.381 1.00 0.38 O ATOM 720 CB GLU A 43 8.058 9.473 2.691 1.00 0.67 C ATOM 721 CG GLU A 43 9.026 10.573 2.232 1.00 1.05 C ATOM 722 CD GLU A 43 10.192 10.721 3.205 1.00 2.20 C ATOM 723 OE1 GLU A 43 9.930 11.042 4.382 1.00 3.36 O ATOM 724 OE2 GLU A 43 11.315 10.360 2.787 1.00 3.35 O ATOM 0 H GLU A 43 10.310 8.636 3.314 1.00 0.72 H new ATOM 0 HA GLU A 43 7.763 7.343 2.936 1.00 0.48 H new ATOM 0 HB2 GLU A 43 7.112 9.618 2.169 1.00 0.67 H new ATOM 0 HB3 GLU A 43 7.862 9.619 3.753 1.00 0.67 H new ATOM 0 HG2 GLU A 43 9.406 10.336 1.238 1.00 1.05 H new ATOM 0 HG3 GLU A 43 8.493 11.520 2.152 1.00 1.05 H new ATOM 731 N GLU A 44 9.715 7.956 0.385 1.00 0.50 N ATOM 732 CA GLU A 44 9.823 7.911 -1.082 1.00 0.52 C ATOM 733 C GLU A 44 9.687 6.484 -1.561 1.00 0.48 C ATOM 734 O GLU A 44 9.008 6.245 -2.553 1.00 0.47 O ATOM 735 CB GLU A 44 11.127 8.506 -1.620 1.00 0.62 C ATOM 736 CG GLU A 44 11.205 8.469 -3.166 1.00 1.23 C ATOM 737 CD GLU A 44 12.391 7.639 -3.660 1.00 2.12 C ATOM 738 OE1 GLU A 44 12.396 6.427 -3.359 1.00 3.30 O ATOM 739 OE2 GLU A 44 13.276 8.238 -4.310 1.00 3.09 O ATOM 0 H GLU A 44 10.581 8.190 0.871 1.00 0.50 H new ATOM 0 HA GLU A 44 9.013 8.529 -1.469 1.00 0.52 H new ATOM 0 HB2 GLU A 44 11.219 9.537 -1.280 1.00 0.62 H new ATOM 0 HB3 GLU A 44 11.972 7.957 -1.204 1.00 0.62 H new ATOM 0 HG2 GLU A 44 10.280 8.053 -3.566 1.00 1.23 H new ATOM 0 HG3 GLU A 44 11.289 9.486 -3.549 1.00 1.23 H new ATOM 746 N VAL A 45 10.240 5.525 -0.820 1.00 0.49 N ATOM 747 CA VAL A 45 10.036 4.132 -1.149 1.00 0.50 C ATOM 748 C VAL A 45 8.548 3.829 -1.180 1.00 0.47 C ATOM 749 O VAL A 45 8.105 3.091 -2.061 1.00 0.48 O ATOM 750 CB VAL A 45 10.764 3.213 -0.165 1.00 0.54 C ATOM 751 CG1 VAL A 45 12.228 3.070 -0.571 1.00 0.98 C ATOM 752 CG2 VAL A 45 10.676 3.707 1.280 1.00 1.01 C ATOM 0 H VAL A 45 10.824 5.692 -0.000 1.00 0.49 H new ATOM 0 HA VAL A 45 10.457 3.942 -2.136 1.00 0.50 H new ATOM 0 HB VAL A 45 10.266 2.244 -0.207 1.00 0.54 H new ATOM 0 HG11 VAL A 45 12.739 2.415 0.134 1.00 0.98 H new ATOM 0 HG12 VAL A 45 12.288 2.643 -1.572 1.00 0.98 H new ATOM 0 HG13 VAL A 45 12.704 4.050 -0.566 1.00 0.98 H new ATOM 0 HG21 VAL A 45 11.210 3.017 1.934 1.00 1.01 H new ATOM 0 HG22 VAL A 45 11.125 4.697 1.354 1.00 1.01 H new ATOM 0 HG23 VAL A 45 9.630 3.759 1.584 1.00 1.01 H new ATOM 762 N LEU A 46 7.740 4.430 -0.288 1.00 0.51 N ATOM 763 CA LEU A 46 6.335 4.091 -0.381 1.00 0.46 C ATOM 764 C LEU A 46 5.712 4.660 -1.670 1.00 0.44 C ATOM 765 O LEU A 46 4.739 4.110 -2.182 1.00 0.46 O ATOM 766 CB LEU A 46 5.655 4.621 0.870 1.00 0.49 C ATOM 767 CG LEU A 46 6.361 4.256 2.193 1.00 0.51 C ATOM 768 CD1 LEU A 46 5.413 4.402 3.385 1.00 0.61 C ATOM 769 CD2 LEU A 46 6.998 2.864 2.216 1.00 0.52 C ATOM 0 H LEU A 46 8.013 5.092 0.438 1.00 0.51 H new ATOM 0 HA LEU A 46 6.201 3.011 -0.439 1.00 0.46 H new ATOM 0 HB2 LEU A 46 5.587 5.706 0.798 1.00 0.49 H new ATOM 0 HB3 LEU A 46 4.634 4.239 0.902 1.00 0.49 H new ATOM 0 HG LEU A 46 7.180 4.971 2.271 1.00 0.51 H new ATOM 0 HD11 LEU A 46 5.939 4.138 4.303 1.00 0.61 H new ATOM 0 HD12 LEU A 46 5.066 5.433 3.450 1.00 0.61 H new ATOM 0 HD13 LEU A 46 4.558 3.739 3.253 1.00 0.61 H new ATOM 0 HD21 LEU A 46 7.470 2.696 3.184 1.00 0.52 H new ATOM 0 HD22 LEU A 46 6.229 2.109 2.051 1.00 0.52 H new ATOM 0 HD23 LEU A 46 7.749 2.795 1.429 1.00 0.52 H new ATOM 781 N ARG A 47 6.283 5.732 -2.236 1.00 0.44 N ATOM 782 CA ARG A 47 5.837 6.293 -3.509 1.00 0.45 C ATOM 783 C ARG A 47 6.441 5.566 -4.714 1.00 0.45 C ATOM 784 O ARG A 47 5.837 5.562 -5.782 1.00 0.47 O ATOM 785 CB ARG A 47 6.216 7.777 -3.579 1.00 0.50 C ATOM 786 CG ARG A 47 5.522 8.532 -4.728 1.00 0.90 C ATOM 787 CD ARG A 47 6.497 9.476 -5.447 1.00 1.56 C ATOM 788 NE ARG A 47 7.097 8.848 -6.637 1.00 2.83 N ATOM 789 CZ ARG A 47 6.530 8.802 -7.853 1.00 3.61 C ATOM 790 NH1 ARG A 47 5.314 9.319 -8.045 1.00 4.10 N ATOM 791 NH2 ARG A 47 7.177 8.249 -8.880 1.00 4.95 N ATOM 0 H ARG A 47 7.068 6.232 -1.819 1.00 0.44 H new ATOM 0 HA ARG A 47 4.755 6.168 -3.553 1.00 0.45 H new ATOM 0 HB2 ARG A 47 5.960 8.255 -2.633 1.00 0.50 H new ATOM 0 HB3 ARG A 47 7.296 7.863 -3.698 1.00 0.50 H new ATOM 0 HG2 ARG A 47 5.113 7.816 -5.441 1.00 0.90 H new ATOM 0 HG3 ARG A 47 4.682 9.105 -4.334 1.00 0.90 H new ATOM 0 HD2 ARG A 47 5.971 10.384 -5.742 1.00 1.56 H new ATOM 0 HD3 ARG A 47 7.287 9.775 -4.758 1.00 1.56 H new ATOM 0 HE ARG A 47 8.014 8.415 -6.529 1.00 2.83 H new ATOM 0 HH11 ARG A 47 4.814 9.750 -7.267 1.00 4.10 H new ATOM 0 HH12 ARG A 47 4.885 9.283 -8.970 1.00 4.10 H new ATOM 0 HH21 ARG A 47 8.109 7.857 -8.744 1.00 4.95 H new ATOM 0 HH22 ARG A 47 6.740 8.218 -9.801 1.00 4.95 H new ATOM 805 N GLU A 48 7.611 4.940 -4.587 1.00 0.45 N ATOM 806 CA GLU A 48 8.268 4.284 -5.715 1.00 0.49 C ATOM 807 C GLU A 48 7.491 3.036 -6.135 1.00 0.47 C ATOM 808 O GLU A 48 7.666 2.529 -7.238 1.00 0.58 O ATOM 809 CB GLU A 48 9.720 3.910 -5.358 1.00 0.54 C ATOM 810 CG GLU A 48 10.739 4.630 -6.254 1.00 0.55 C ATOM 811 CD GLU A 48 11.980 3.774 -6.537 1.00 1.01 C ATOM 812 OE1 GLU A 48 12.383 2.996 -5.643 1.00 2.31 O ATOM 813 OE2 GLU A 48 12.483 3.875 -7.680 1.00 1.68 O ATOM 0 H GLU A 48 8.125 4.874 -3.708 1.00 0.45 H new ATOM 0 HA GLU A 48 8.286 4.983 -6.551 1.00 0.49 H new ATOM 0 HB2 GLU A 48 9.913 4.162 -4.315 1.00 0.54 H new ATOM 0 HB3 GLU A 48 9.851 2.832 -5.455 1.00 0.54 H new ATOM 0 HG2 GLU A 48 10.263 4.898 -7.197 1.00 0.55 H new ATOM 0 HG3 GLU A 48 11.045 5.561 -5.776 1.00 0.55 H new ATOM 820 N GLN A 49 6.603 2.568 -5.260 1.00 0.39 N ATOM 821 CA GLN A 49 5.749 1.413 -5.465 1.00 0.40 C ATOM 822 C GLN A 49 4.282 1.821 -5.373 1.00 0.38 C ATOM 823 O GLN A 49 3.397 0.977 -5.232 1.00 0.43 O ATOM 824 CB GLN A 49 6.076 0.407 -4.376 1.00 0.43 C ATOM 825 CG GLN A 49 7.531 -0.064 -4.447 1.00 0.49 C ATOM 826 CD GLN A 49 7.792 -0.943 -5.666 1.00 0.78 C ATOM 827 OE1 GLN A 49 6.875 -1.499 -6.253 1.00 1.56 O ATOM 828 NE2 GLN A 49 9.044 -1.095 -6.074 1.00 0.85 N ATOM 0 H GLN A 49 6.457 3.007 -4.351 1.00 0.39 H new ATOM 0 HA GLN A 49 5.918 0.982 -6.452 1.00 0.40 H new ATOM 0 HB2 GLN A 49 5.887 0.855 -3.400 1.00 0.43 H new ATOM 0 HB3 GLN A 49 5.412 -0.453 -4.466 1.00 0.43 H new ATOM 0 HG2 GLN A 49 8.191 0.803 -4.478 1.00 0.49 H new ATOM 0 HG3 GLN A 49 7.776 -0.619 -3.541 1.00 0.49 H new ATOM 0 HE21 GLN A 49 9.802 -0.627 -5.578 1.00 0.85 H new ATOM 0 HE22 GLN A 49 9.249 -1.680 -6.884 1.00 0.85 H new ATOM 837 N ALA A 50 4.020 3.126 -5.399 1.00 0.38 N ATOM 838 CA ALA A 50 2.664 3.639 -5.377 1.00 0.41 C ATOM 839 C ALA A 50 1.849 2.968 -6.481 1.00 0.40 C ATOM 840 O ALA A 50 2.386 2.659 -7.543 1.00 0.58 O ATOM 841 CB ALA A 50 2.638 5.154 -5.566 1.00 0.61 C ATOM 0 H ALA A 50 4.740 3.848 -5.436 1.00 0.38 H new ATOM 0 HA ALA A 50 2.229 3.414 -4.403 1.00 0.41 H new ATOM 0 HB1 ALA A 50 1.607 5.506 -5.544 1.00 0.61 H new ATOM 0 HB2 ALA A 50 3.201 5.631 -4.763 1.00 0.61 H new ATOM 0 HB3 ALA A 50 3.088 5.409 -6.525 1.00 0.61 H new ATOM 847 N GLY A 51 0.560 2.740 -6.217 1.00 0.37 N ATOM 848 CA GLY A 51 -0.371 2.046 -7.096 1.00 0.45 C ATOM 849 C GLY A 51 0.208 0.770 -7.707 1.00 0.49 C ATOM 850 O GLY A 51 -0.251 0.354 -8.770 1.00 0.57 O ATOM 0 H GLY A 51 0.123 3.048 -5.348 1.00 0.37 H new ATOM 0 HA2 GLY A 51 -1.271 1.795 -6.535 1.00 0.45 H new ATOM 0 HA3 GLY A 51 -0.673 2.720 -7.898 1.00 0.45 H new ATOM 854 N GLY A 52 1.200 0.156 -7.054 1.00 0.48 N ATOM 855 CA GLY A 52 1.988 -0.927 -7.589 1.00 0.54 C ATOM 856 C GLY A 52 2.274 -1.933 -6.484 1.00 0.55 C ATOM 857 O GLY A 52 2.010 -1.690 -5.307 1.00 0.66 O ATOM 0 H GLY A 52 1.475 0.418 -6.107 1.00 0.48 H new ATOM 0 HA2 GLY A 52 1.455 -1.410 -8.408 1.00 0.54 H new ATOM 0 HA3 GLY A 52 2.923 -0.544 -7.999 1.00 0.54 H new ATOM 861 N ASP A 53 2.779 -3.090 -6.880 1.00 0.51 N ATOM 862 CA ASP A 53 3.013 -4.241 -6.040 1.00 0.51 C ATOM 863 C ASP A 53 4.284 -4.056 -5.224 1.00 0.54 C ATOM 864 O ASP A 53 5.387 -4.316 -5.693 1.00 0.66 O ATOM 865 CB ASP A 53 3.075 -5.517 -6.893 1.00 0.53 C ATOM 866 CG ASP A 53 3.815 -5.404 -8.232 1.00 2.23 C ATOM 867 OD1 ASP A 53 3.264 -4.704 -9.116 1.00 3.25 O ATOM 868 OD2 ASP A 53 4.876 -6.044 -8.382 1.00 3.56 O ATOM 0 H ASP A 53 3.049 -3.255 -7.850 1.00 0.51 H new ATOM 0 HA ASP A 53 2.183 -4.343 -5.341 1.00 0.51 H new ATOM 0 HB2 ASP A 53 3.552 -6.300 -6.303 1.00 0.53 H new ATOM 0 HB3 ASP A 53 2.055 -5.845 -7.092 1.00 0.53 H new ATOM 873 N ALA A 54 4.136 -3.643 -3.964 1.00 0.55 N ATOM 874 CA ALA A 54 5.298 -3.430 -3.113 1.00 0.55 C ATOM 875 C ALA A 54 5.580 -4.656 -2.251 1.00 0.55 C ATOM 876 O ALA A 54 6.560 -4.660 -1.510 1.00 0.57 O ATOM 877 CB ALA A 54 5.101 -2.191 -2.240 1.00 0.56 C ATOM 0 H ALA A 54 3.238 -3.453 -3.520 1.00 0.55 H new ATOM 0 HA ALA A 54 6.163 -3.267 -3.756 1.00 0.55 H new ATOM 0 HB1 ALA A 54 5.979 -2.046 -1.610 1.00 0.56 H new ATOM 0 HB2 ALA A 54 4.962 -1.316 -2.876 1.00 0.56 H new ATOM 0 HB3 ALA A 54 4.221 -2.325 -1.611 1.00 0.56 H new ATOM 883 N THR A 55 4.732 -5.690 -2.322 1.00 0.57 N ATOM 884 CA THR A 55 4.869 -6.894 -1.532 1.00 0.62 C ATOM 885 C THR A 55 6.203 -7.562 -1.803 1.00 0.61 C ATOM 886 O THR A 55 6.757 -8.155 -0.887 1.00 0.69 O ATOM 887 CB THR A 55 3.679 -7.804 -1.849 1.00 0.72 C ATOM 888 OG1 THR A 55 2.533 -7.329 -1.188 1.00 1.27 O ATOM 889 CG2 THR A 55 3.885 -9.233 -1.399 1.00 0.96 C ATOM 0 H THR A 55 3.923 -5.702 -2.943 1.00 0.57 H new ATOM 0 HA THR A 55 4.860 -6.663 -0.467 1.00 0.62 H new ATOM 0 HB THR A 55 3.570 -7.790 -2.933 1.00 0.72 H new ATOM 0 HG1 THR A 55 2.230 -7.996 -0.537 1.00 1.27 H new ATOM 0 HG21 THR A 55 3.006 -9.825 -1.653 1.00 0.96 H new ATOM 0 HG22 THR A 55 4.760 -9.649 -1.899 1.00 0.96 H new ATOM 0 HG23 THR A 55 4.038 -9.256 -0.320 1.00 0.96 H new ATOM 897 N GLU A 56 6.743 -7.426 -3.013 1.00 0.58 N ATOM 898 CA GLU A 56 8.059 -7.954 -3.324 1.00 0.62 C ATOM 899 C GLU A 56 9.110 -7.314 -2.422 1.00 0.63 C ATOM 900 O GLU A 56 9.966 -8.012 -1.899 1.00 0.79 O ATOM 901 CB GLU A 56 8.365 -7.679 -4.799 1.00 0.67 C ATOM 902 CG GLU A 56 7.700 -8.720 -5.704 1.00 1.65 C ATOM 903 CD GLU A 56 8.463 -10.045 -5.686 1.00 2.89 C ATOM 904 OE1 GLU A 56 9.470 -10.136 -6.421 1.00 3.23 O ATOM 905 OE2 GLU A 56 8.019 -10.946 -4.941 1.00 4.38 O ATOM 0 H GLU A 56 6.284 -6.953 -3.791 1.00 0.58 H new ATOM 0 HA GLU A 56 8.079 -9.029 -3.148 1.00 0.62 H new ATOM 0 HB2 GLU A 56 8.014 -6.683 -5.067 1.00 0.67 H new ATOM 0 HB3 GLU A 56 9.443 -7.690 -4.958 1.00 0.67 H new ATOM 0 HG2 GLU A 56 6.673 -8.885 -5.377 1.00 1.65 H new ATOM 0 HG3 GLU A 56 7.652 -8.340 -6.724 1.00 1.65 H new ATOM 912 N ASN A 57 9.043 -5.997 -2.196 1.00 0.62 N ATOM 913 CA ASN A 57 10.010 -5.320 -1.337 1.00 0.69 C ATOM 914 C ASN A 57 9.705 -5.618 0.112 1.00 0.61 C ATOM 915 O ASN A 57 10.548 -6.171 0.805 1.00 0.71 O ATOM 916 CB ASN A 57 9.993 -3.803 -1.536 1.00 0.82 C ATOM 917 CG ASN A 57 11.315 -3.301 -2.079 1.00 1.35 C ATOM 918 OD1 ASN A 57 11.914 -2.387 -1.527 1.00 2.39 O ATOM 919 ND2 ASN A 57 11.793 -3.898 -3.159 1.00 2.18 N ATOM 0 H ASN A 57 8.332 -5.385 -2.596 1.00 0.62 H new ATOM 0 HA ASN A 57 10.998 -5.693 -1.609 1.00 0.69 H new ATOM 0 HB2 ASN A 57 9.190 -3.534 -2.223 1.00 0.82 H new ATOM 0 HB3 ASN A 57 9.778 -3.313 -0.587 1.00 0.82 H new ATOM 0 HD21 ASN A 57 12.685 -3.599 -3.554 1.00 2.18 H new ATOM 0 HD22 ASN A 57 11.270 -4.657 -3.596 1.00 2.18 H new ATOM 926 N PHE A 58 8.511 -5.219 0.563 1.00 0.55 N ATOM 927 CA PHE A 58 8.041 -5.634 1.915 1.00 0.49 C ATOM 928 C PHE A 58 8.526 -7.043 2.357 1.00 0.48 C ATOM 929 O PHE A 58 8.996 -7.172 3.487 1.00 0.47 O ATOM 930 CB PHE A 58 6.511 -5.532 2.037 1.00 0.56 C ATOM 931 CG PHE A 58 5.907 -6.286 3.218 1.00 0.91 C ATOM 932 CD1 PHE A 58 5.534 -7.633 3.052 1.00 2.41 C ATOM 933 CD2 PHE A 58 5.755 -5.679 4.482 1.00 1.36 C ATOM 934 CE1 PHE A 58 5.037 -8.378 4.133 1.00 3.02 C ATOM 935 CE2 PHE A 58 5.235 -6.418 5.564 1.00 1.65 C ATOM 936 CZ PHE A 58 4.882 -7.769 5.387 1.00 2.24 C ATOM 0 H PHE A 58 7.862 -4.629 0.042 1.00 0.55 H new ATOM 0 HA PHE A 58 8.505 -4.925 2.601 1.00 0.49 H new ATOM 0 HB2 PHE A 58 6.237 -4.480 2.119 1.00 0.56 H new ATOM 0 HB3 PHE A 58 6.062 -5.908 1.117 1.00 0.56 H new ATOM 0 HD1 PHE A 58 5.631 -8.099 2.082 1.00 2.41 H new ATOM 0 HD2 PHE A 58 6.038 -4.646 4.621 1.00 1.36 H new ATOM 0 HE1 PHE A 58 4.775 -9.417 4.000 1.00 3.02 H new ATOM 0 HE2 PHE A 58 5.108 -5.948 6.528 1.00 1.65 H new ATOM 0 HZ PHE A 58 4.491 -8.338 6.218 1.00 2.24 H new ATOM 946 N GLU A 59 8.429 -8.079 1.511 1.00 0.54 N ATOM 947 CA GLU A 59 8.856 -9.443 1.848 1.00 0.63 C ATOM 948 C GLU A 59 10.367 -9.624 1.705 1.00 0.67 C ATOM 949 O GLU A 59 10.979 -10.250 2.566 1.00 0.73 O ATOM 950 CB GLU A 59 8.168 -10.468 0.932 1.00 0.82 C ATOM 951 CG GLU A 59 6.847 -11.002 1.499 1.00 1.05 C ATOM 952 CD GLU A 59 7.057 -12.159 2.482 1.00 1.32 C ATOM 953 OE1 GLU A 59 7.732 -11.925 3.508 1.00 2.08 O ATOM 954 OE2 GLU A 59 6.500 -13.247 2.218 1.00 2.14 O ATOM 0 H GLU A 59 8.050 -7.992 0.568 1.00 0.54 H new ATOM 0 HA GLU A 59 8.573 -9.606 2.888 1.00 0.63 H new ATOM 0 HB2 GLU A 59 7.979 -10.008 -0.038 1.00 0.82 H new ATOM 0 HB3 GLU A 59 8.846 -11.304 0.761 1.00 0.82 H new ATOM 0 HG2 GLU A 59 6.318 -10.193 2.002 1.00 1.05 H new ATOM 0 HG3 GLU A 59 6.212 -11.337 0.679 1.00 1.05 H new ATOM 961 N ASP A 60 10.981 -9.093 0.640 1.00 0.74 N ATOM 962 CA ASP A 60 12.425 -9.217 0.400 1.00 0.88 C ATOM 963 C ASP A 60 13.180 -8.757 1.638 1.00 0.86 C ATOM 964 O ASP A 60 14.163 -9.370 2.052 1.00 0.97 O ATOM 965 CB ASP A 60 12.884 -8.327 -0.776 1.00 0.95 C ATOM 966 CG ASP A 60 13.175 -9.058 -2.087 1.00 1.47 C ATOM 967 OD1 ASP A 60 13.209 -10.308 -2.078 1.00 2.85 O ATOM 968 OD2 ASP A 60 13.443 -8.335 -3.074 1.00 1.95 O ATOM 0 H ASP A 60 10.490 -8.564 -0.081 1.00 0.74 H new ATOM 0 HA ASP A 60 12.631 -10.262 0.166 1.00 0.88 H new ATOM 0 HB2 ASP A 60 12.115 -7.578 -0.962 1.00 0.95 H new ATOM 0 HB3 ASP A 60 13.784 -7.791 -0.473 1.00 0.95 H new ATOM 973 N VAL A 61 12.729 -7.641 2.212 1.00 0.77 N ATOM 974 CA VAL A 61 13.332 -7.103 3.414 1.00 0.84 C ATOM 975 C VAL A 61 12.831 -7.851 4.643 1.00 0.64 C ATOM 976 O VAL A 61 13.599 -8.065 5.579 1.00 0.83 O ATOM 977 CB VAL A 61 13.128 -5.579 3.492 1.00 1.00 C ATOM 978 CG1 VAL A 61 13.466 -4.892 2.158 1.00 2.68 C ATOM 979 CG2 VAL A 61 11.697 -5.195 3.869 1.00 2.06 C ATOM 0 H VAL A 61 11.944 -7.096 1.856 1.00 0.77 H new ATOM 0 HA VAL A 61 14.410 -7.260 3.380 1.00 0.84 H new ATOM 0 HB VAL A 61 13.808 -5.239 4.274 1.00 1.00 H new ATOM 0 HG11 VAL A 61 13.310 -3.817 2.252 1.00 2.68 H new ATOM 0 HG12 VAL A 61 14.508 -5.086 1.902 1.00 2.68 H new ATOM 0 HG13 VAL A 61 12.820 -5.285 1.373 1.00 2.68 H new ATOM 0 HG21 VAL A 61 11.610 -4.109 3.909 1.00 2.06 H new ATOM 0 HG22 VAL A 61 11.006 -5.587 3.122 1.00 2.06 H new ATOM 0 HG23 VAL A 61 11.453 -5.615 4.845 1.00 2.06 H new ATOM 989 N GLY A 62 11.567 -8.279 4.645 1.00 0.46 N ATOM 990 CA GLY A 62 11.040 -9.170 5.654 1.00 0.66 C ATOM 991 C GLY A 62 10.113 -8.372 6.547 1.00 0.91 C ATOM 992 O GLY A 62 9.019 -8.831 6.868 1.00 2.39 O ATOM 0 H GLY A 62 10.884 -8.009 3.937 1.00 0.46 H new ATOM 0 HA2 GLY A 62 10.503 -9.997 5.189 1.00 0.66 H new ATOM 0 HA3 GLY A 62 11.851 -9.605 6.239 1.00 0.66 H new ATOM 996 N HIS A 63 10.559 -7.160 6.919 1.00 0.65 N ATOM 997 CA HIS A 63 9.949 -6.306 7.928 1.00 0.60 C ATOM 998 C HIS A 63 9.789 -7.041 9.270 1.00 0.77 C ATOM 999 O HIS A 63 9.946 -8.258 9.369 1.00 1.35 O ATOM 1000 CB HIS A 63 8.633 -5.711 7.386 1.00 0.58 C ATOM 1001 CG HIS A 63 8.775 -4.438 6.588 1.00 0.50 C ATOM 1002 ND1 HIS A 63 9.009 -4.368 5.240 1.00 0.47 N ATOM 1003 CD2 HIS A 63 8.587 -3.162 7.055 1.00 0.48 C ATOM 1004 CE1 HIS A 63 8.976 -3.069 4.889 1.00 0.43 C ATOM 1005 NE2 HIS A 63 8.704 -2.296 5.960 1.00 0.41 N ATOM 0 H HIS A 63 11.390 -6.740 6.502 1.00 0.65 H new ATOM 0 HA HIS A 63 10.613 -5.468 8.140 1.00 0.60 H new ATOM 0 HB2 HIS A 63 8.147 -6.459 6.760 1.00 0.58 H new ATOM 0 HB3 HIS A 63 7.968 -5.519 8.228 1.00 0.58 H new ATOM 0 HD1 HIS A 63 9.178 -5.157 4.616 1.00 0.47 H new ATOM 0 HD2 HIS A 63 8.386 -2.878 8.077 1.00 0.48 H new ATOM 0 HE1 HIS A 63 9.144 -2.698 3.889 1.00 0.43 H new ATOM 1013 N SER A 64 9.480 -6.299 10.334 1.00 0.67 N ATOM 1014 CA SER A 64 9.086 -6.874 11.610 1.00 0.68 C ATOM 1015 C SER A 64 7.563 -6.906 11.728 1.00 0.68 C ATOM 1016 O SER A 64 6.821 -6.395 10.885 1.00 0.67 O ATOM 1017 CB SER A 64 9.680 -6.055 12.758 1.00 0.86 C ATOM 1018 OG SER A 64 11.093 -6.060 12.711 1.00 2.11 O ATOM 0 H SER A 64 9.498 -5.279 10.330 1.00 0.67 H new ATOM 0 HA SER A 64 9.465 -7.895 11.666 1.00 0.68 H new ATOM 0 HB2 SER A 64 9.315 -5.029 12.703 1.00 0.86 H new ATOM 0 HB3 SER A 64 9.344 -6.463 13.711 1.00 0.86 H new ATOM 0 HG SER A 64 11.447 -5.528 13.454 1.00 2.11 H new ATOM 1024 N THR A 65 7.076 -7.506 12.811 1.00 0.78 N ATOM 1025 CA THR A 65 5.661 -7.654 13.039 1.00 0.87 C ATOM 1026 C THR A 65 4.989 -6.315 13.329 1.00 0.87 C ATOM 1027 O THR A 65 3.872 -6.093 12.870 1.00 0.88 O ATOM 1028 CB THR A 65 5.495 -8.652 14.177 1.00 1.03 C ATOM 1029 OG1 THR A 65 6.110 -9.861 13.776 1.00 1.16 O ATOM 1030 CG2 THR A 65 4.026 -8.898 14.490 1.00 1.11 C ATOM 0 H THR A 65 7.660 -7.900 13.549 1.00 0.78 H new ATOM 0 HA THR A 65 5.164 -8.027 12.144 1.00 0.87 H new ATOM 0 HB THR A 65 5.957 -8.256 15.082 1.00 1.03 H new ATOM 0 HG1 THR A 65 6.021 -10.526 14.491 1.00 1.16 H new ATOM 0 HG21 THR A 65 3.943 -9.615 15.307 1.00 1.11 H new ATOM 0 HG22 THR A 65 3.554 -7.960 14.782 1.00 1.11 H new ATOM 0 HG23 THR A 65 3.527 -9.296 13.606 1.00 1.11 H new ATOM 1038 N ASP A 66 5.676 -5.391 14.005 1.00 0.92 N ATOM 1039 CA ASP A 66 5.152 -4.056 14.289 1.00 1.02 C ATOM 1040 C ASP A 66 4.752 -3.355 12.995 1.00 0.86 C ATOM 1041 O ASP A 66 3.803 -2.573 12.953 1.00 0.95 O ATOM 1042 CB ASP A 66 6.228 -3.215 14.987 1.00 1.21 C ATOM 1043 CG ASP A 66 6.559 -3.731 16.385 1.00 1.74 C ATOM 1044 OD1 ASP A 66 6.947 -4.921 16.458 1.00 2.71 O ATOM 1045 OD2 ASP A 66 6.444 -2.935 17.342 1.00 2.37 O ATOM 0 H ASP A 66 6.615 -5.550 14.371 1.00 0.92 H new ATOM 0 HA ASP A 66 4.278 -4.160 14.933 1.00 1.02 H new ATOM 0 HB2 ASP A 66 7.133 -3.213 14.380 1.00 1.21 H new ATOM 0 HB3 ASP A 66 5.889 -2.181 15.056 1.00 1.21 H new ATOM 1050 N ALA A 67 5.454 -3.661 11.903 1.00 0.66 N ATOM 1051 CA ALA A 67 5.085 -3.105 10.623 1.00 0.53 C ATOM 1052 C ALA A 67 3.892 -3.868 10.076 1.00 0.45 C ATOM 1053 O ALA A 67 2.936 -3.259 9.610 1.00 0.50 O ATOM 1054 CB ALA A 67 6.259 -3.205 9.666 1.00 0.61 C ATOM 0 H ALA A 67 6.265 -4.280 11.888 1.00 0.66 H new ATOM 0 HA ALA A 67 4.817 -2.055 10.738 1.00 0.53 H new ATOM 0 HB1 ALA A 67 5.978 -2.785 8.700 1.00 0.61 H new ATOM 0 HB2 ALA A 67 7.106 -2.651 10.070 1.00 0.61 H new ATOM 0 HB3 ALA A 67 6.537 -4.251 9.539 1.00 0.61 H new ATOM 1060 N ARG A 68 3.912 -5.202 10.180 1.00 0.49 N ATOM 1061 CA ARG A 68 2.791 -6.008 9.719 1.00 0.54 C ATOM 1062 C ARG A 68 1.466 -5.477 10.348 1.00 0.58 C ATOM 1063 O ARG A 68 0.390 -5.674 9.787 1.00 0.66 O ATOM 1064 CB ARG A 68 2.954 -7.475 10.093 1.00 0.73 C ATOM 1065 CG ARG A 68 3.082 -8.236 8.779 1.00 1.09 C ATOM 1066 CD ARG A 68 3.279 -9.717 9.044 1.00 1.89 C ATOM 1067 NE ARG A 68 2.636 -10.517 7.990 1.00 2.16 N ATOM 1068 CZ ARG A 68 2.433 -11.837 8.046 1.00 2.74 C ATOM 1069 NH1 ARG A 68 2.910 -12.533 9.076 1.00 3.57 N ATOM 1070 NH2 ARG A 68 1.747 -12.451 7.081 1.00 3.15 N ATOM 0 H ARG A 68 4.686 -5.735 10.576 1.00 0.49 H new ATOM 0 HA ARG A 68 2.760 -5.930 8.632 1.00 0.54 H new ATOM 0 HB2 ARG A 68 3.836 -7.622 10.716 1.00 0.73 H new ATOM 0 HB3 ARG A 68 2.097 -7.828 10.666 1.00 0.73 H new ATOM 0 HG2 ARG A 68 2.188 -8.084 8.174 1.00 1.09 H new ATOM 0 HG3 ARG A 68 3.924 -7.847 8.206 1.00 1.09 H new ATOM 0 HD2 ARG A 68 4.344 -9.947 9.085 1.00 1.89 H new ATOM 0 HD3 ARG A 68 2.859 -9.978 10.015 1.00 1.89 H new ATOM 0 HE ARG A 68 2.321 -10.027 7.153 1.00 2.16 H new ATOM 0 HH11 ARG A 68 3.427 -12.059 9.816 1.00 3.57 H new ATOM 0 HH12 ARG A 68 2.758 -13.541 9.125 1.00 3.57 H new ATOM 0 HH21 ARG A 68 1.376 -11.913 6.298 1.00 3.15 H new ATOM 0 HH22 ARG A 68 1.594 -13.458 7.126 1.00 3.15 H new ATOM 1084 N GLU A 69 1.529 -4.873 11.550 1.00 0.61 N ATOM 1085 CA GLU A 69 0.391 -4.320 12.295 1.00 0.75 C ATOM 1086 C GLU A 69 -0.125 -3.016 11.703 1.00 0.68 C ATOM 1087 O GLU A 69 -1.331 -2.858 11.535 1.00 0.66 O ATOM 1088 CB GLU A 69 0.767 -4.036 13.762 1.00 1.06 C ATOM 1089 CG GLU A 69 0.344 -5.176 14.684 1.00 1.30 C ATOM 1090 CD GLU A 69 0.259 -4.698 16.135 1.00 1.99 C ATOM 1091 OE1 GLU A 69 1.295 -4.772 16.829 1.00 2.94 O ATOM 1092 OE2 GLU A 69 -0.849 -4.267 16.527 1.00 2.42 O ATOM 0 H GLU A 69 2.413 -4.754 12.046 1.00 0.61 H new ATOM 0 HA GLU A 69 -0.387 -5.080 12.231 1.00 0.75 H new ATOM 0 HB2 GLU A 69 1.844 -3.886 13.839 1.00 1.06 H new ATOM 0 HB3 GLU A 69 0.292 -3.110 14.087 1.00 1.06 H new ATOM 0 HG2 GLU A 69 -0.623 -5.566 14.368 1.00 1.30 H new ATOM 0 HG3 GLU A 69 1.058 -5.996 14.608 1.00 1.30 H new ATOM 1099 N LEU A 70 0.744 -2.049 11.419 1.00 0.71 N ATOM 1100 CA LEU A 70 0.317 -0.806 10.809 1.00 0.80 C ATOM 1101 C LEU A 70 -0.329 -1.064 9.431 1.00 0.72 C ATOM 1102 O LEU A 70 -1.289 -0.384 9.080 1.00 0.79 O ATOM 1103 CB LEU A 70 1.529 0.133 10.745 1.00 0.94 C ATOM 1104 CG LEU A 70 1.756 1.129 11.886 1.00 0.97 C ATOM 1105 CD1 LEU A 70 0.464 1.740 12.410 1.00 3.02 C ATOM 1106 CD2 LEU A 70 2.501 0.441 13.012 1.00 1.56 C ATOM 0 H LEU A 70 1.745 -2.108 11.604 1.00 0.71 H new ATOM 0 HA LEU A 70 -0.458 -0.325 11.406 1.00 0.80 H new ATOM 0 HB2 LEU A 70 2.422 -0.487 10.666 1.00 0.94 H new ATOM 0 HB3 LEU A 70 1.455 0.704 9.819 1.00 0.94 H new ATOM 0 HG LEU A 70 2.348 1.952 11.485 1.00 0.97 H new ATOM 0 HD11 LEU A 70 0.692 2.437 13.217 1.00 3.02 H new ATOM 0 HD12 LEU A 70 -0.041 2.272 11.603 1.00 3.02 H new ATOM 0 HD13 LEU A 70 -0.186 0.950 12.786 1.00 3.02 H new ATOM 0 HD21 LEU A 70 2.664 1.148 13.826 1.00 1.56 H new ATOM 0 HD22 LEU A 70 1.913 -0.402 13.376 1.00 1.56 H new ATOM 0 HD23 LEU A 70 3.463 0.081 12.646 1.00 1.56 H new ATOM 1118 N SER A 71 0.058 -2.125 8.709 1.00 0.62 N ATOM 1119 CA SER A 71 -0.659 -2.674 7.543 1.00 0.69 C ATOM 1120 C SER A 71 -2.157 -2.791 7.749 1.00 0.66 C ATOM 1121 O SER A 71 -2.939 -2.625 6.815 1.00 0.95 O ATOM 1122 CB SER A 71 -0.055 -4.033 7.215 1.00 0.76 C ATOM 1123 OG SER A 71 1.339 -4.015 7.414 1.00 1.65 O ATOM 0 H SER A 71 0.908 -2.645 8.926 1.00 0.62 H new ATOM 0 HA SER A 71 -0.537 -1.977 6.714 1.00 0.69 H new ATOM 0 HB2 SER A 71 -0.508 -4.800 7.843 1.00 0.76 H new ATOM 0 HB3 SER A 71 -0.277 -4.296 6.181 1.00 0.76 H new ATOM 0 HG SER A 71 1.732 -4.837 7.052 1.00 1.65 H new ATOM 1129 N LYS A 72 -2.579 -3.051 8.977 1.00 0.49 N ATOM 1130 CA LYS A 72 -3.979 -3.151 9.297 1.00 0.55 C ATOM 1131 C LYS A 72 -4.645 -1.779 9.275 1.00 0.60 C ATOM 1132 O LYS A 72 -5.739 -1.659 8.741 1.00 0.86 O ATOM 1133 CB LYS A 72 -4.115 -3.840 10.659 1.00 0.65 C ATOM 1134 CG LYS A 72 -5.266 -4.837 10.574 1.00 0.85 C ATOM 1135 CD LYS A 72 -4.764 -6.115 9.893 1.00 2.32 C ATOM 1136 CE LYS A 72 -5.960 -6.912 9.377 1.00 2.73 C ATOM 1137 NZ LYS A 72 -5.746 -8.367 9.513 1.00 3.86 N ATOM 0 H LYS A 72 -1.956 -3.197 9.772 1.00 0.49 H new ATOM 0 HA LYS A 72 -4.494 -3.749 8.546 1.00 0.55 H new ATOM 0 HB2 LYS A 72 -3.188 -4.350 10.921 1.00 0.65 H new ATOM 0 HB3 LYS A 72 -4.306 -3.104 11.440 1.00 0.65 H new ATOM 0 HG2 LYS A 72 -5.643 -5.064 11.571 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -6.095 -4.409 10.010 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -4.096 -5.864 9.069 1.00 2.32 H new ATOM 0 HD3 LYS A 72 -4.189 -6.715 10.598 1.00 2.32 H new ATOM 0 HE2 LYS A 72 -6.855 -6.623 9.928 1.00 2.73 H new ATOM 0 HE3 LYS A 72 -6.137 -6.666 8.330 1.00 2.73 H new ATOM 0 HZ1 LYS A 72 -6.579 -8.876 9.153 1.00 3.86 H new ATOM 0 HZ2 LYS A 72 -4.906 -8.647 8.967 1.00 3.86 H new ATOM 0 HZ3 LYS A 72 -5.602 -8.605 10.515 1.00 3.86 H new ATOM 1151 N THR A 73 -3.993 -0.741 9.805 1.00 0.49 N ATOM 1152 CA THR A 73 -4.542 0.611 9.746 1.00 0.57 C ATOM 1153 C THR A 73 -4.344 1.229 8.353 1.00 0.62 C ATOM 1154 O THR A 73 -4.858 2.310 8.079 1.00 0.81 O ATOM 1155 CB THR A 73 -3.977 1.449 10.914 1.00 0.68 C ATOM 1156 OG1 THR A 73 -4.965 2.302 11.452 1.00 1.24 O ATOM 1157 CG2 THR A 73 -2.769 2.314 10.571 1.00 1.39 C ATOM 0 H THR A 73 -3.091 -0.812 10.276 1.00 0.49 H new ATOM 0 HA THR A 73 -5.623 0.587 9.882 1.00 0.57 H new ATOM 0 HB THR A 73 -3.650 0.697 11.632 1.00 0.68 H new ATOM 0 HG1 THR A 73 -4.583 2.820 12.191 1.00 1.24 H new ATOM 0 HG21 THR A 73 -2.450 2.861 11.458 1.00 1.39 H new ATOM 0 HG22 THR A 73 -1.954 1.679 10.224 1.00 1.39 H new ATOM 0 HG23 THR A 73 -3.039 3.021 9.786 1.00 1.39 H new ATOM 1165 N PHE A 74 -3.609 0.560 7.457 1.00 0.60 N ATOM 1166 CA PHE A 74 -3.367 1.051 6.104 1.00 0.66 C ATOM 1167 C PHE A 74 -4.335 0.471 5.100 1.00 0.54 C ATOM 1168 O PHE A 74 -4.501 1.015 4.014 1.00 0.62 O ATOM 1169 CB PHE A 74 -1.957 0.683 5.679 1.00 0.80 C ATOM 1170 CG PHE A 74 -0.866 1.333 6.471 1.00 0.90 C ATOM 1171 CD1 PHE A 74 -1.124 2.293 7.470 1.00 1.34 C ATOM 1172 CD2 PHE A 74 0.445 0.941 6.182 1.00 2.29 C ATOM 1173 CE1 PHE A 74 -0.076 2.768 8.261 1.00 1.34 C ATOM 1174 CE2 PHE A 74 1.497 1.493 6.903 1.00 2.43 C ATOM 1175 CZ PHE A 74 1.222 2.335 7.985 1.00 1.22 C ATOM 0 H PHE A 74 -3.167 -0.338 7.654 1.00 0.60 H new ATOM 0 HA PHE A 74 -3.504 2.132 6.124 1.00 0.66 H new ATOM 0 HB2 PHE A 74 -1.843 -0.399 5.752 1.00 0.80 H new ATOM 0 HB3 PHE A 74 -1.830 0.947 4.629 1.00 0.80 H new ATOM 0 HD1 PHE A 74 -2.128 2.660 7.623 1.00 1.34 H new ATOM 0 HD2 PHE A 74 0.638 0.216 5.405 1.00 2.29 H new ATOM 0 HE1 PHE A 74 -0.266 3.457 9.071 1.00 1.34 H new ATOM 0 HE2 PHE A 74 2.519 1.273 6.630 1.00 2.43 H new ATOM 0 HZ PHE A 74 2.032 2.658 8.622 1.00 1.22 H new ATOM 1185 N ILE A 75 -4.964 -0.649 5.419 1.00 0.44 N ATOM 1186 CA ILE A 75 -5.982 -1.182 4.548 1.00 0.40 C ATOM 1187 C ILE A 75 -7.092 -0.141 4.400 1.00 0.38 C ATOM 1188 O ILE A 75 -7.510 0.483 5.373 1.00 0.64 O ATOM 1189 CB ILE A 75 -6.421 -2.543 5.114 1.00 0.49 C ATOM 1190 CG1 ILE A 75 -6.098 -3.624 4.092 1.00 0.76 C ATOM 1191 CG2 ILE A 75 -7.895 -2.628 5.487 1.00 0.74 C ATOM 1192 CD1 ILE A 75 -5.940 -4.980 4.780 1.00 1.09 C ATOM 0 H ILE A 75 -4.787 -1.195 6.262 1.00 0.44 H new ATOM 0 HA ILE A 75 -5.628 -1.374 3.535 1.00 0.40 H new ATOM 0 HB ILE A 75 -5.870 -2.682 6.044 1.00 0.49 H new ATOM 0 HG12 ILE A 75 -6.892 -3.678 3.347 1.00 0.76 H new ATOM 0 HG13 ILE A 75 -5.180 -3.369 3.562 1.00 0.76 H new ATOM 0 HG21 ILE A 75 -8.115 -3.622 5.877 1.00 0.74 H new ATOM 0 HG22 ILE A 75 -8.121 -1.881 6.248 1.00 0.74 H new ATOM 0 HG23 ILE A 75 -8.505 -2.442 4.603 1.00 0.74 H new ATOM 0 HD11 ILE A 75 -5.709 -5.741 4.035 1.00 1.09 H new ATOM 0 HD12 ILE A 75 -5.130 -4.927 5.507 1.00 1.09 H new ATOM 0 HD13 ILE A 75 -6.868 -5.240 5.289 1.00 1.09 H new ATOM 1204 N ILE A 76 -7.547 0.052 3.164 1.00 0.45 N ATOM 1205 CA ILE A 76 -8.677 0.915 2.836 1.00 0.42 C ATOM 1206 C ILE A 76 -9.652 0.187 1.909 1.00 0.45 C ATOM 1207 O ILE A 76 -10.617 0.770 1.417 1.00 0.55 O ATOM 1208 CB ILE A 76 -8.179 2.245 2.241 1.00 0.40 C ATOM 1209 CG1 ILE A 76 -7.306 2.060 0.985 1.00 0.39 C ATOM 1210 CG2 ILE A 76 -7.407 3.048 3.289 1.00 0.44 C ATOM 1211 CD1 ILE A 76 -8.143 2.064 -0.276 1.00 0.61 C ATOM 0 H ILE A 76 -7.132 -0.396 2.347 1.00 0.45 H new ATOM 0 HA ILE A 76 -9.224 1.157 3.747 1.00 0.42 H new ATOM 0 HB ILE A 76 -9.071 2.792 1.935 1.00 0.40 H new ATOM 0 HG12 ILE A 76 -6.565 2.858 0.934 1.00 0.39 H new ATOM 0 HG13 ILE A 76 -6.758 1.121 1.056 1.00 0.39 H new ATOM 0 HG21 ILE A 76 -7.063 3.984 2.849 1.00 0.44 H new ATOM 0 HG22 ILE A 76 -8.059 3.262 4.136 1.00 0.44 H new ATOM 0 HG23 ILE A 76 -6.548 2.470 3.630 1.00 0.44 H new ATOM 0 HD11 ILE A 76 -7.496 1.931 -1.143 1.00 0.61 H new ATOM 0 HD12 ILE A 76 -8.866 1.250 -0.235 1.00 0.61 H new ATOM 0 HD13 ILE A 76 -8.671 3.014 -0.359 1.00 0.61 H new ATOM 1223 N GLY A 77 -9.402 -1.094 1.637 1.00 0.49 N ATOM 1224 CA GLY A 77 -10.276 -1.905 0.822 1.00 0.57 C ATOM 1225 C GLY A 77 -9.569 -3.194 0.448 1.00 0.56 C ATOM 1226 O GLY A 77 -8.468 -3.464 0.929 1.00 0.53 O ATOM 0 H GLY A 77 -8.581 -1.591 1.982 1.00 0.49 H new ATOM 0 HA2 GLY A 77 -11.195 -2.126 1.365 1.00 0.57 H new ATOM 0 HA3 GLY A 77 -10.561 -1.360 -0.078 1.00 0.57 H new ATOM 1230 N GLU A 78 -10.182 -3.984 -0.432 1.00 0.69 N ATOM 1231 CA GLU A 78 -9.506 -5.124 -1.019 1.00 0.73 C ATOM 1232 C GLU A 78 -9.487 -4.928 -2.526 1.00 0.60 C ATOM 1233 O GLU A 78 -10.307 -4.170 -3.055 1.00 0.62 O ATOM 1234 CB GLU A 78 -10.114 -6.450 -0.535 1.00 0.81 C ATOM 1235 CG GLU A 78 -11.390 -6.901 -1.260 1.00 2.43 C ATOM 1236 CD GLU A 78 -11.991 -8.161 -0.615 1.00 2.68 C ATOM 1237 OE1 GLU A 78 -11.979 -8.240 0.635 1.00 2.85 O ATOM 1238 OE2 GLU A 78 -12.462 -9.042 -1.367 1.00 3.63 O ATOM 0 H GLU A 78 -11.142 -3.851 -0.749 1.00 0.69 H new ATOM 0 HA GLU A 78 -8.470 -5.188 -0.688 1.00 0.73 H new ATOM 0 HB2 GLU A 78 -9.363 -7.233 -0.640 1.00 0.81 H new ATOM 0 HB3 GLU A 78 -10.335 -6.360 0.529 1.00 0.81 H new ATOM 0 HG2 GLU A 78 -12.124 -6.096 -1.241 1.00 2.43 H new ATOM 0 HG3 GLU A 78 -11.163 -7.100 -2.307 1.00 2.43 H new ATOM 1245 N LEU A 79 -8.519 -5.546 -3.210 1.00 0.66 N ATOM 1246 CA LEU A 79 -8.486 -5.483 -4.652 1.00 0.73 C ATOM 1247 C LEU A 79 -9.757 -6.102 -5.208 1.00 0.50 C ATOM 1248 O LEU A 79 -10.313 -7.032 -4.629 1.00 0.67 O ATOM 1249 CB LEU A 79 -7.264 -6.238 -5.189 1.00 1.15 C ATOM 1250 CG LEU A 79 -6.015 -5.382 -5.388 1.00 0.87 C ATOM 1251 CD1 LEU A 79 -6.342 -4.079 -6.101 1.00 1.43 C ATOM 1252 CD2 LEU A 79 -5.260 -5.106 -4.085 1.00 2.27 C ATOM 0 H LEU A 79 -7.764 -6.085 -2.785 1.00 0.66 H new ATOM 0 HA LEU A 79 -8.417 -4.441 -4.964 1.00 0.73 H new ATOM 0 HB2 LEU A 79 -7.025 -7.049 -4.501 1.00 1.15 H new ATOM 0 HB3 LEU A 79 -7.528 -6.696 -6.142 1.00 1.15 H new ATOM 0 HG LEU A 79 -5.349 -5.970 -6.020 1.00 0.87 H new ATOM 0 HD11 LEU A 79 -5.431 -3.494 -6.226 1.00 1.43 H new ATOM 0 HD12 LEU A 79 -6.771 -4.297 -7.079 1.00 1.43 H new ATOM 0 HD13 LEU A 79 -7.059 -3.511 -5.509 1.00 1.43 H new ATOM 0 HD21 LEU A 79 -4.383 -4.493 -4.295 1.00 2.27 H new ATOM 0 HD22 LEU A 79 -5.914 -4.578 -3.391 1.00 2.27 H new ATOM 0 HD23 LEU A 79 -4.945 -6.050 -3.640 1.00 2.27 H new ATOM 1264 N HIS A 80 -10.200 -5.587 -6.351 1.00 0.45 N ATOM 1265 CA HIS A 80 -11.432 -6.036 -6.970 1.00 0.62 C ATOM 1266 C HIS A 80 -11.418 -7.544 -7.180 1.00 0.85 C ATOM 1267 O HIS A 80 -10.359 -8.134 -7.380 1.00 0.93 O ATOM 1268 CB HIS A 80 -11.631 -5.332 -8.313 1.00 0.78 C ATOM 1269 CG HIS A 80 -12.953 -4.616 -8.411 1.00 0.79 C ATOM 1270 ND1 HIS A 80 -13.883 -4.747 -9.419 1.00 1.33 N ATOM 1271 CD2 HIS A 80 -13.456 -3.731 -7.500 1.00 0.88 C ATOM 1272 CE1 HIS A 80 -14.927 -3.961 -9.110 1.00 1.35 C ATOM 1273 NE2 HIS A 80 -14.713 -3.325 -7.950 1.00 1.00 N ATOM 0 H HIS A 80 -9.716 -4.852 -6.867 1.00 0.45 H new ATOM 0 HA HIS A 80 -12.257 -5.786 -6.303 1.00 0.62 H new ATOM 0 HB2 HIS A 80 -10.824 -4.616 -8.465 1.00 0.78 H new ATOM 0 HB3 HIS A 80 -11.561 -6.066 -9.116 1.00 0.78 H new ATOM 0 HD1 HIS A 80 -13.795 -5.334 -10.249 1.00 1.33 H new ATOM 0 HD2 HIS A 80 -12.968 -3.404 -6.594 1.00 0.88 H new ATOM 0 HE1 HIS A 80 -15.817 -3.856 -9.713 1.00 1.35 H new ATOM 1281 N PRO A 81 -12.589 -8.178 -7.270 1.00 1.29 N ATOM 1282 CA PRO A 81 -12.632 -9.603 -7.490 1.00 1.70 C ATOM 1283 C PRO A 81 -12.112 -9.945 -8.884 1.00 1.71 C ATOM 1284 O PRO A 81 -11.648 -11.059 -9.124 1.00 2.08 O ATOM 1285 CB PRO A 81 -14.094 -9.999 -7.274 1.00 2.30 C ATOM 1286 CG PRO A 81 -14.902 -8.715 -7.491 1.00 2.28 C ATOM 1287 CD PRO A 81 -13.902 -7.570 -7.348 1.00 1.67 C ATOM 0 HA PRO A 81 -11.988 -10.159 -6.808 1.00 1.70 H new ATOM 0 HB2 PRO A 81 -14.398 -10.777 -7.975 1.00 2.30 H new ATOM 0 HB3 PRO A 81 -14.249 -10.396 -6.271 1.00 2.30 H new ATOM 0 HG2 PRO A 81 -15.368 -8.707 -8.476 1.00 2.28 H new ATOM 0 HG3 PRO A 81 -15.704 -8.628 -6.758 1.00 2.28 H new ATOM 0 HD2 PRO A 81 -13.965 -6.891 -8.198 1.00 1.67 H new ATOM 0 HD3 PRO A 81 -14.111 -6.982 -6.454 1.00 1.67 H new ATOM 1295 N ASP A 82 -12.126 -8.979 -9.804 1.00 1.91 N ATOM 1296 CA ASP A 82 -11.663 -9.221 -11.158 1.00 2.06 C ATOM 1297 C ASP A 82 -10.140 -9.399 -11.179 1.00 1.79 C ATOM 1298 O ASP A 82 -9.601 -10.066 -12.062 1.00 2.03 O ATOM 1299 CB ASP A 82 -12.085 -8.089 -12.107 1.00 2.42 C ATOM 1300 CG ASP A 82 -13.519 -7.618 -11.900 1.00 3.28 C ATOM 1301 OD1 ASP A 82 -14.410 -8.488 -11.822 1.00 3.35 O ATOM 1302 OD2 ASP A 82 -13.691 -6.387 -11.773 1.00 4.73 O ATOM 0 H ASP A 82 -12.453 -8.028 -9.631 1.00 1.91 H new ATOM 0 HA ASP A 82 -12.130 -10.141 -11.510 1.00 2.06 H new ATOM 0 HB2 ASP A 82 -11.411 -7.243 -11.971 1.00 2.42 H new ATOM 0 HB3 ASP A 82 -11.968 -8.428 -13.136 1.00 2.42 H new ATOM 1307 N ASP A 83 -9.441 -8.847 -10.180 1.00 1.53 N ATOM 1308 CA ASP A 83 -7.994 -8.957 -10.011 1.00 1.66 C ATOM 1309 C ASP A 83 -7.578 -10.389 -9.650 1.00 1.72 C ATOM 1310 O ASP A 83 -6.399 -10.726 -9.643 1.00 2.23 O ATOM 1311 CB ASP A 83 -7.555 -7.940 -8.947 1.00 2.24 C ATOM 1312 CG ASP A 83 -6.043 -7.886 -8.762 1.00 3.88 C ATOM 1313 OD1 ASP A 83 -5.368 -7.577 -9.768 1.00 4.34 O ATOM 1314 OD2 ASP A 83 -5.600 -8.075 -7.607 1.00 5.32 O ATOM 0 H ASP A 83 -9.884 -8.295 -9.446 1.00 1.53 H new ATOM 0 HA ASP A 83 -7.492 -8.730 -10.952 1.00 1.66 H new ATOM 0 HB2 ASP A 83 -7.917 -6.951 -9.227 1.00 2.24 H new ATOM 0 HB3 ASP A 83 -8.023 -8.193 -7.996 1.00 2.24 H new ATOM 1319 N ARG A 84 -8.539 -11.289 -9.423 1.00 1.89 N ATOM 1320 CA ARG A 84 -8.263 -12.668 -9.044 1.00 2.63 C ATOM 1321 C ARG A 84 -8.270 -13.604 -10.255 1.00 3.07 C ATOM 1322 O ARG A 84 -8.585 -14.784 -10.102 1.00 4.19 O ATOM 1323 CB ARG A 84 -9.281 -13.081 -7.977 1.00 3.08 C ATOM 1324 CG ARG A 84 -8.913 -14.413 -7.303 1.00 3.96 C ATOM 1325 CD ARG A 84 -10.046 -15.446 -7.413 1.00 5.18 C ATOM 1326 NE ARG A 84 -9.606 -16.687 -8.067 1.00 6.17 N ATOM 1327 CZ ARG A 84 -10.288 -17.839 -8.037 1.00 7.19 C ATOM 1328 NH1 ARG A 84 -11.469 -17.893 -7.420 1.00 7.55 N ATOM 1329 NH2 ARG A 84 -9.797 -18.931 -8.624 1.00 8.19 N ATOM 0 H ARG A 84 -9.534 -11.075 -9.499 1.00 1.89 H new ATOM 0 HA ARG A 84 -7.258 -12.745 -8.629 1.00 2.63 H new ATOM 0 HB2 ARG A 84 -9.348 -12.300 -7.220 1.00 3.08 H new ATOM 0 HB3 ARG A 84 -10.267 -13.168 -8.433 1.00 3.08 H new ATOM 0 HG2 ARG A 84 -8.010 -14.815 -7.763 1.00 3.96 H new ATOM 0 HG3 ARG A 84 -8.684 -14.236 -6.252 1.00 3.96 H new ATOM 0 HD2 ARG A 84 -10.423 -15.677 -6.417 1.00 5.18 H new ATOM 0 HD3 ARG A 84 -10.874 -15.015 -7.975 1.00 5.18 H new ATOM 0 HE ARG A 84 -8.723 -16.669 -8.577 1.00 6.17 H new ATOM 0 HH11 ARG A 84 -11.850 -17.059 -6.973 1.00 7.55 H new ATOM 0 HH12 ARG A 84 -11.992 -18.769 -7.395 1.00 7.55 H new ATOM 0 HH21 ARG A 84 -8.896 -18.893 -9.100 1.00 8.19 H new ATOM 0 HH22 ARG A 84 -10.323 -19.805 -8.597 1.00 8.19 H new ATOM 1343 N SER A 85 -7.951 -13.087 -11.446 1.00 2.85 N ATOM 1344 CA SER A 85 -7.783 -13.833 -12.697 1.00 3.64 C ATOM 1345 C SER A 85 -9.046 -13.698 -13.546 1.00 4.13 C ATOM 1346 O SER A 85 -9.637 -14.700 -13.947 1.00 4.49 O ATOM 1347 CB SER A 85 -7.409 -15.309 -12.460 1.00 3.86 C ATOM 1348 OG SER A 85 -6.933 -15.905 -13.647 1.00 5.06 O ATOM 0 H SER A 85 -7.795 -12.087 -11.570 1.00 2.85 H new ATOM 0 HA SER A 85 -6.943 -13.399 -13.240 1.00 3.64 H new ATOM 0 HB2 SER A 85 -6.646 -15.375 -11.684 1.00 3.86 H new ATOM 0 HB3 SER A 85 -8.280 -15.855 -12.098 1.00 3.86 H new ATOM 0 HG SER A 85 -7.622 -15.847 -14.341 1.00 5.06 H new ATOM 1354 N LYS A 86 -9.471 -12.460 -13.823 1.00 4.49 N ATOM 1355 CA LYS A 86 -10.643 -12.213 -14.655 1.00 5.55 C ATOM 1356 C LYS A 86 -10.445 -10.958 -15.502 1.00 6.62 C ATOM 1357 O LYS A 86 -10.340 -11.072 -16.717 1.00 7.41 O ATOM 1358 CB LYS A 86 -11.874 -12.127 -13.742 1.00 5.52 C ATOM 1359 CG LYS A 86 -13.136 -11.564 -14.415 1.00 6.81 C ATOM 1360 CD LYS A 86 -13.704 -12.557 -15.429 1.00 7.34 C ATOM 1361 CE LYS A 86 -14.734 -13.448 -14.728 1.00 7.73 C ATOM 1362 NZ LYS A 86 -14.802 -14.796 -15.329 1.00 8.06 N ATOM 0 H LYS A 86 -9.016 -11.614 -13.480 1.00 4.49 H new ATOM 0 HA LYS A 86 -10.795 -13.031 -15.360 1.00 5.55 H new ATOM 0 HB2 LYS A 86 -12.096 -13.123 -13.360 1.00 5.52 H new ATOM 0 HB3 LYS A 86 -11.629 -11.504 -12.882 1.00 5.52 H new ATOM 0 HG2 LYS A 86 -13.888 -11.341 -13.658 1.00 6.81 H new ATOM 0 HG3 LYS A 86 -12.898 -10.625 -14.914 1.00 6.81 H new ATOM 0 HD2 LYS A 86 -14.169 -12.024 -16.258 1.00 7.34 H new ATOM 0 HD3 LYS A 86 -12.903 -13.165 -15.850 1.00 7.34 H new ATOM 0 HE2 LYS A 86 -14.479 -13.535 -13.672 1.00 7.73 H new ATOM 0 HE3 LYS A 86 -15.716 -12.978 -14.781 1.00 7.73 H new ATOM 0 HZ1 LYS A 86 -15.511 -15.366 -14.825 1.00 8.06 H new ATOM 0 HZ2 LYS A 86 -15.071 -14.716 -16.331 1.00 8.06 H new ATOM 0 HZ3 LYS A 86 -13.872 -15.256 -15.256 1.00 8.06 H new ATOM 1376 N LEU A 87 -10.418 -9.788 -14.860 1.00 6.94 N ATOM 1377 CA LEU A 87 -10.285 -8.460 -15.459 1.00 8.13 C ATOM 1378 C LEU A 87 -11.085 -8.299 -16.750 1.00 9.66 C ATOM 1379 O LEU A 87 -10.514 -8.230 -17.834 1.00 10.30 O ATOM 1380 CB LEU A 87 -8.803 -8.134 -15.679 1.00 8.03 C ATOM 1381 CG LEU A 87 -7.985 -8.199 -14.385 1.00 6.92 C ATOM 1382 CD1 LEU A 87 -6.515 -7.932 -14.695 1.00 7.21 C ATOM 1383 CD2 LEU A 87 -8.491 -7.166 -13.381 1.00 6.85 C ATOM 0 H LEU A 87 -10.493 -9.741 -13.844 1.00 6.94 H new ATOM 0 HA LEU A 87 -10.712 -7.744 -14.756 1.00 8.13 H new ATOM 0 HB2 LEU A 87 -8.385 -8.833 -16.404 1.00 8.03 H new ATOM 0 HB3 LEU A 87 -8.715 -7.137 -16.110 1.00 8.03 H new ATOM 0 HG LEU A 87 -8.094 -9.193 -13.951 1.00 6.92 H new ATOM 0 HD11 LEU A 87 -5.935 -7.979 -13.774 1.00 7.21 H new ATOM 0 HD12 LEU A 87 -6.148 -8.684 -15.393 1.00 7.21 H new ATOM 0 HD13 LEU A 87 -6.411 -6.942 -15.140 1.00 7.21 H new ATOM 0 HD21 LEU A 87 -7.899 -7.226 -12.468 1.00 6.85 H new ATOM 0 HD22 LEU A 87 -8.399 -6.168 -13.808 1.00 6.85 H new ATOM 0 HD23 LEU A 87 -9.537 -7.366 -13.149 1.00 6.85 H new ATOM 1395 N SER A 88 -12.413 -8.210 -16.647 1.00 10.56 N ATOM 1396 CA SER A 88 -13.241 -8.089 -17.833 1.00 12.10 C ATOM 1397 C SER A 88 -14.591 -7.504 -17.439 1.00 12.83 C ATOM 1398 O SER A 88 -15.311 -8.123 -16.658 1.00 12.83 O ATOM 1399 CB SER A 88 -13.394 -9.485 -18.448 1.00 12.43 C ATOM 1400 OG SER A 88 -13.594 -9.402 -19.845 1.00 13.78 O ATOM 0 H SER A 88 -12.925 -8.220 -15.765 1.00 10.56 H new ATOM 0 HA SER A 88 -12.788 -7.424 -18.568 1.00 12.10 H new ATOM 0 HB2 SER A 88 -12.504 -10.078 -18.239 1.00 12.43 H new ATOM 0 HB3 SER A 88 -14.236 -10.000 -17.986 1.00 12.43 H new ATOM 0 HG SER A 88 -13.687 -10.304 -20.216 1.00 13.78 H new ATOM 1406 N LYS A 89 -14.950 -6.326 -17.956 1.00 13.71 N ATOM 1407 CA LYS A 89 -16.247 -5.723 -17.685 1.00 14.73 C ATOM 1408 C LYS A 89 -16.695 -4.964 -18.934 1.00 15.79 C ATOM 1409 O LYS A 89 -15.972 -4.076 -19.378 1.00 16.12 O ATOM 1410 CB LYS A 89 -16.136 -4.784 -16.478 1.00 14.89 C ATOM 1411 CG LYS A 89 -17.528 -4.309 -16.050 1.00 16.13 C ATOM 1412 CD LYS A 89 -17.430 -3.103 -15.116 1.00 16.90 C ATOM 1413 CE LYS A 89 -18.826 -2.525 -14.873 1.00 18.31 C ATOM 1414 NZ LYS A 89 -19.320 -1.766 -16.048 1.00 19.29 N ATOM 0 H LYS A 89 -14.352 -5.771 -18.568 1.00 13.71 H new ATOM 0 HA LYS A 89 -16.986 -6.488 -17.447 1.00 14.73 H new ATOM 0 HB2 LYS A 89 -15.649 -5.299 -15.650 1.00 14.89 H new ATOM 0 HB3 LYS A 89 -15.513 -3.926 -16.731 1.00 14.89 H new ATOM 0 HG2 LYS A 89 -18.113 -4.045 -16.931 1.00 16.13 H new ATOM 0 HG3 LYS A 89 -18.055 -5.121 -15.548 1.00 16.13 H new ATOM 0 HD2 LYS A 89 -16.979 -3.400 -14.169 1.00 16.90 H new ATOM 0 HD3 LYS A 89 -16.782 -2.343 -15.554 1.00 16.90 H new ATOM 0 HE2 LYS A 89 -19.520 -3.334 -14.645 1.00 18.31 H new ATOM 0 HE3 LYS A 89 -18.802 -1.871 -14.002 1.00 18.31 H new ATOM 0 HZ1 LYS A 89 -20.246 -1.347 -15.827 1.00 19.29 H new ATOM 0 HZ2 LYS A 89 -18.645 -1.010 -16.282 1.00 19.29 H new ATOM 0 HZ3 LYS A 89 -19.416 -2.408 -16.861 1.00 19.29 H new ATOM 1428 N PRO A 90 -17.846 -5.309 -19.525 1.00 16.49 N ATOM 1429 CA PRO A 90 -18.390 -4.587 -20.659 1.00 17.65 C ATOM 1430 C PRO A 90 -19.005 -3.253 -20.216 1.00 18.39 C ATOM 1431 O PRO A 90 -18.998 -2.887 -19.032 1.00 18.38 O ATOM 1432 CB PRO A 90 -19.417 -5.538 -21.284 1.00 18.20 C ATOM 1433 CG PRO A 90 -19.856 -6.451 -20.138 1.00 17.62 C ATOM 1434 CD PRO A 90 -18.718 -6.393 -19.117 1.00 16.44 C ATOM 0 HA PRO A 90 -17.626 -4.314 -21.387 1.00 17.65 H new ATOM 0 HB2 PRO A 90 -20.263 -4.989 -21.698 1.00 18.20 H new ATOM 0 HB3 PRO A 90 -18.979 -6.112 -22.101 1.00 18.20 H new ATOM 0 HG2 PRO A 90 -20.794 -6.110 -19.701 1.00 17.62 H new ATOM 0 HG3 PRO A 90 -20.019 -7.470 -20.488 1.00 17.62 H new ATOM 0 HD2 PRO A 90 -19.107 -6.220 -18.114 1.00 16.44 H new ATOM 0 HD3 PRO A 90 -18.174 -7.337 -19.090 1.00 16.44 H new ATOM 1442 N MET A 91 -19.557 -2.526 -21.189 1.00 19.28 N ATOM 1443 CA MET A 91 -20.186 -1.236 -20.987 1.00 20.21 C ATOM 1444 C MET A 91 -21.525 -1.255 -21.709 1.00 21.00 C ATOM 1445 O MET A 91 -21.650 -1.902 -22.745 1.00 21.04 O ATOM 1446 CB MET A 91 -19.284 -0.124 -21.546 1.00 20.71 C ATOM 1447 CG MET A 91 -18.953 0.883 -20.446 1.00 21.17 C ATOM 1448 SD MET A 91 -18.156 2.398 -21.042 1.00 22.16 S ATOM 1449 CE MET A 91 -19.623 3.392 -21.433 1.00 23.46 C ATOM 0 H MET A 91 -19.575 -2.833 -22.161 1.00 19.28 H new ATOM 0 HA MET A 91 -20.339 -1.042 -19.925 1.00 20.21 H new ATOM 0 HB2 MET A 91 -18.365 -0.555 -21.944 1.00 20.71 H new ATOM 0 HB3 MET A 91 -19.784 0.380 -22.373 1.00 20.71 H new ATOM 0 HG2 MET A 91 -19.872 1.150 -19.925 1.00 21.17 H new ATOM 0 HG3 MET A 91 -18.300 0.405 -19.716 1.00 21.17 H new ATOM 0 HE1 MET A 91 -19.312 4.364 -21.815 1.00 23.46 H new ATOM 0 HE2 MET A 91 -20.220 2.879 -22.187 1.00 23.46 H new ATOM 0 HE3 MET A 91 -20.219 3.531 -20.531 1.00 23.46 H new ATOM 1459 N GLU A 92 -22.501 -0.529 -21.175 1.00 21.82 N ATOM 1460 CA GLU A 92 -23.804 -0.362 -21.786 1.00 22.77 C ATOM 1461 C GLU A 92 -24.236 1.050 -21.389 1.00 23.68 C ATOM 1462 O GLU A 92 -24.156 1.383 -20.205 1.00 23.83 O ATOM 1463 CB GLU A 92 -24.755 -1.466 -21.275 1.00 22.83 C ATOM 1464 CG GLU A 92 -25.420 -2.237 -22.423 1.00 23.29 C ATOM 1465 CD GLU A 92 -26.375 -1.362 -23.228 1.00 24.56 C ATOM 1466 OE1 GLU A 92 -25.905 -0.287 -23.659 1.00 24.79 O ATOM 1467 OE2 GLU A 92 -27.535 -1.794 -23.413 1.00 25.42 O ATOM 0 H GLU A 92 -22.402 -0.033 -20.289 1.00 21.82 H new ATOM 0 HA GLU A 92 -23.805 -0.462 -22.871 1.00 22.77 H new ATOM 0 HB2 GLU A 92 -24.197 -2.162 -20.648 1.00 22.83 H new ATOM 0 HB3 GLU A 92 -25.525 -1.018 -20.647 1.00 22.83 H new ATOM 0 HG2 GLU A 92 -24.651 -2.636 -23.084 1.00 23.29 H new ATOM 0 HG3 GLU A 92 -25.965 -3.090 -22.018 1.00 23.29 H new ATOM 1474 N THR A 93 -24.589 1.900 -22.353 1.00 24.42 N ATOM 1475 CA THR A 93 -25.073 3.247 -22.078 1.00 25.45 C ATOM 1476 C THR A 93 -26.535 3.317 -22.500 1.00 26.32 C ATOM 1477 O THR A 93 -27.002 2.501 -23.288 1.00 26.32 O ATOM 1478 CB THR A 93 -24.213 4.331 -22.766 1.00 25.74 C ATOM 1479 OG1 THR A 93 -24.755 5.614 -22.512 1.00 27.02 O ATOM 1480 CG2 THR A 93 -24.076 4.184 -24.285 1.00 25.48 C ATOM 0 H THR A 93 -24.546 1.671 -23.346 1.00 24.42 H new ATOM 0 HA THR A 93 -24.990 3.454 -21.011 1.00 25.45 H new ATOM 0 HB THR A 93 -23.219 4.204 -22.337 1.00 25.74 H new ATOM 0 HG1 THR A 93 -25.509 5.776 -23.117 1.00 27.02 H new ATOM 0 HG21 THR A 93 -23.455 4.991 -24.674 1.00 25.48 H new ATOM 0 HG22 THR A 93 -23.613 3.225 -24.517 1.00 25.48 H new ATOM 0 HG23 THR A 93 -25.063 4.231 -24.746 1.00 25.48 H new ATOM 1488 N LEU A 94 -27.245 4.330 -22.009 1.00 27.25 N ATOM 1489 CA LEU A 94 -28.496 4.739 -22.624 1.00 28.25 C ATOM 1490 C LEU A 94 -28.200 5.110 -24.076 1.00 28.10 C ATOM 1491 O LEU A 94 -27.094 5.669 -24.277 1.00 27.95 O ATOM 1492 CB LEU A 94 -29.058 5.934 -21.849 1.00 29.40 C ATOM 1493 CG LEU A 94 -30.392 6.426 -22.436 1.00 30.48 C ATOM 1494 CD1 LEU A 94 -31.507 6.356 -21.390 1.00 31.49 C ATOM 1495 CD2 LEU A 94 -30.233 7.870 -22.917 1.00 31.23 C ATOM 1496 OXT LEU A 94 -29.085 4.873 -24.924 1.00 28.32 O ATOM 0 H LEU A 94 -26.974 4.877 -21.192 1.00 27.25 H new ATOM 0 HA LEU A 94 -29.237 3.940 -22.601 1.00 28.25 H new ATOM 0 HB2 LEU A 94 -29.203 5.654 -20.806 1.00 29.40 H new ATOM 0 HB3 LEU A 94 -28.334 6.748 -21.863 1.00 29.40 H new ATOM 0 HG LEU A 94 -30.662 5.782 -23.273 1.00 30.48 H new ATOM 0 HD11 LEU A 94 -32.440 6.709 -21.829 1.00 31.49 H new ATOM 0 HD12 LEU A 94 -31.630 5.325 -21.057 1.00 31.49 H new ATOM 0 HD13 LEU A 94 -31.246 6.984 -20.538 1.00 31.49 H new ATOM 0 HD21 LEU A 94 -31.177 8.221 -23.333 1.00 31.23 H new ATOM 0 HD22 LEU A 94 -29.949 8.504 -22.077 1.00 31.23 H new ATOM 0 HD23 LEU A 94 -29.459 7.915 -23.684 1.00 31.23 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.502 -0.301 6.011 1.00 0.36 FE HETATM 1510 CHA HEM A 95 11.212 -0.037 8.058 1.00 0.59 C HETATM 1511 CHB HEM A 95 6.375 -0.215 8.732 1.00 0.31 C HETATM 1512 CHC HEM A 95 5.792 -0.735 3.879 1.00 0.38 C HETATM 1513 CHD HEM A 95 10.583 -0.135 3.188 1.00 0.39 C HETATM 1514 NA HEM A 95 8.747 -0.217 8.034 1.00 0.39 N HETATM 1515 C1A HEM A 95 9.954 -0.152 8.644 1.00 0.50 C HETATM 1516 C2A HEM A 95 9.727 -0.217 10.066 1.00 0.54 C HETATM 1517 C3A HEM A 95 8.363 -0.226 10.268 1.00 0.42 C HETATM 1518 C4A HEM A 95 7.747 -0.208 8.962 1.00 0.35 C HETATM 1519 CMA HEM A 95 7.643 -0.281 11.599 1.00 0.44 C HETATM 1520 CAA HEM A 95 10.812 -0.344 11.110 1.00 0.67 C HETATM 1521 CBA HEM A 95 11.563 -1.679 11.003 1.00 1.25 C HETATM 1522 CGA HEM A 95 10.604 -2.863 11.071 1.00 2.65 C HETATM 1523 O1A HEM A 95 9.745 -2.854 11.978 1.00 3.89 O HETATM 1524 O2A HEM A 95 10.721 -3.740 10.188 1.00 3.87 O HETATM 1525 NB HEM A 95 6.493 -0.438 6.251 1.00 0.33 N HETATM 1526 C1B HEM A 95 5.837 -0.372 7.455 1.00 0.31 C HETATM 1527 C2B HEM A 95 4.430 -0.545 7.195 1.00 0.35 C HETATM 1528 C3B HEM A 95 4.305 -0.734 5.845 1.00 0.39 C HETATM 1529 C4B HEM A 95 5.594 -0.636 5.240 1.00 0.37 C HETATM 1530 CMB HEM A 95 3.350 -0.544 8.227 1.00 0.36 C HETATM 1531 CAB HEM A 95 3.043 -1.031 5.074 1.00 0.46 C HETATM 1532 CBB HEM A 95 2.354 -2.161 5.305 1.00 0.92 C HETATM 1533 NC HEM A 95 8.225 -0.355 3.907 1.00 0.35 N HETATM 1534 C1C HEM A 95 7.026 -0.572 3.293 1.00 0.36 C HETATM 1535 C2C HEM A 95 7.236 -0.607 1.869 1.00 0.38 C HETATM 1536 C3C HEM A 95 8.587 -0.443 1.682 1.00 0.39 C HETATM 1537 C4C HEM A 95 9.217 -0.280 2.971 1.00 0.37 C HETATM 1538 CMC HEM A 95 6.147 -0.768 0.837 1.00 0.48 C HETATM 1539 CAC HEM A 95 9.347 -0.648 0.384 1.00 0.49 C HETATM 1540 CBC HEM A 95 8.745 -1.063 -0.750 1.00 1.22 C HETATM 1541 ND HEM A 95 10.527 -0.130 5.683 1.00 0.42 N HETATM 1542 C1D HEM A 95 11.148 -0.063 4.463 1.00 0.42 C HETATM 1543 C2D HEM A 95 12.549 0.168 4.709 1.00 0.50 C HETATM 1544 C3D HEM A 95 12.719 0.220 6.075 1.00 0.57 C HETATM 1545 C4D HEM A 95 11.431 0.002 6.683 1.00 0.52 C HETATM 1546 CMD HEM A 95 13.594 0.433 3.654 1.00 0.57 C HETATM 1547 CAD HEM A 95 14.018 0.428 6.815 1.00 0.65 C HETATM 1548 CBD HEM A 95 14.558 -0.846 7.479 1.00 1.53 C HETATM 1549 CGD HEM A 95 14.233 -2.107 6.677 1.00 2.53 C HETATM 1550 O1D HEM A 95 13.247 -2.780 7.048 1.00 3.91 O HETATM 1551 O2D HEM A 95 14.968 -2.367 5.699 1.00 3.20 O HETATM 0 HMA1 HEM A 95 6.674 0.209 11.509 1.00 0.44 H new HETATM 0 HMA2 HEM A 95 8.238 0.229 12.356 1.00 0.44 H new HETATM 0 HMA3 HEM A 95 7.498 -1.321 11.892 1.00 0.44 H new HETATM 0 HMB1 HEM A 95 3.747 -0.920 9.170 1.00 0.36 H new HETATM 0 HMB2 HEM A 95 2.531 -1.184 7.897 1.00 0.36 H new HETATM 0 HMB3 HEM A 95 2.982 0.472 8.368 1.00 0.36 H new HETATM 0 HMC1 HEM A 95 6.437 -0.256 -0.081 1.00 0.48 H new HETATM 0 HMC2 HEM A 95 5.220 -0.337 1.216 1.00 0.48 H new HETATM 0 HMC3 HEM A 95 5.996 -1.827 0.630 1.00 0.48 H new HETATM 0 HMD1 HEM A 95 13.313 -0.071 2.729 1.00 0.57 H new HETATM 0 HMD2 HEM A 95 14.558 0.056 3.994 1.00 0.57 H new HETATM 0 HMD3 HEM A 95 13.667 1.506 3.475 1.00 0.57 H new HETATM 0 HBB1 HEM A 95 1.443 -2.368 4.744 1.00 0.92 H new HETATM 0 HBB2 HEM A 95 2.706 -2.871 6.054 1.00 0.92 H new HETATM 0 HBC1 HEM A 95 9.330 -1.197 -1.660 1.00 1.22 H new HETATM 0 HBC2 HEM A 95 7.674 -1.264 -0.756 1.00 1.22 H new HETATM 0 HBA1 HEM A 95 12.293 -1.753 11.809 1.00 1.25 H new HETATM 0 HBA2 HEM A 95 12.118 -1.712 10.066 1.00 1.25 H new HETATM 0 HAA1 HEM A 95 10.371 -0.255 12.103 1.00 0.67 H new HETATM 0 HAA2 HEM A 95 11.518 0.479 11.000 1.00 0.67 H new HETATM 0 HBD1 HEM A 95 14.136 -0.937 8.480 1.00 1.53 H new HETATM 0 HBD2 HEM A 95 15.639 -0.761 7.595 1.00 1.53 H new HETATM 0 HAD1 HEM A 95 13.873 1.192 7.579 1.00 0.65 H new HETATM 0 HAD2 HEM A 95 14.765 0.810 6.120 1.00 0.65 H new HETATM 0 HHA HEM A 95 12.071 0.026 8.710 1.00 0.59 H new HETATM 0 HHB HEM A 95 5.704 -0.095 9.570 1.00 0.31 H new HETATM 0 HHC HEM A 95 4.943 -0.949 3.247 1.00 0.38 H new HETATM 0 HHD HEM A 95 11.237 -0.075 2.331 1.00 0.39 H new HETATM 0 HAB HEM A 95 2.688 -0.324 4.324 1.00 0.46 H new HETATM 0 HAC HEM A 95 10.419 -0.453 0.367 1.00 0.49 H new