USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=20 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= -2.78! USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -4.82! (180deg=-6.13!) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.172 K(o=-1.1,f=-1.8) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.938 K(o=-1.1,f=-4.7!) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -1.65 K(o=-1.5,f=-0.73) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -110:sc= 0.185 (180deg=0) USER MOD Set 4.1: A 26 HIS : no HD1:sc= -1.97 K(o=-2.8,f=-8.9!) USER MOD Set 4.2: A 30 TYR OH : rot 0:sc= -0.784 USER MOD Set 5.1: A 16 ASN : amide:sc= -0.594 K(o=-0.62,f=-0.026) USER MOD Set 5.2: A 17 HIS : no HD1:sc= -0.03 K(o=-0.62,f=-0.064) USER MOD Single : A 1 ASP N :NH3+ -114:sc= 1.58 (180deg=-0.332) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -109:sc= 0.00181 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-0.71) USER MOD Single : A 18 SER OG : rot 59:sc= 0.489 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 50:sc= 0.159 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 33 THR OG1 : rot -84:sc= 0.0862 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 98:sc= 0.644 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0668 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 -33:sc= 0.555 USER MOD Single : A 80 HIS : no HD1:sc= -0.951 K(o=-0.95,f=-1.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.227 (180deg=-0.227) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -1.21 (180deg=-2.02!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.967 (180deg=-0.967) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.025 -4.300 12.807 1.00 10.45 N ATOM 2 CA ASP A 1 -14.038 -2.865 12.444 1.00 10.00 C ATOM 3 C ASP A 1 -13.353 -2.805 11.092 1.00 9.26 C ATOM 4 O ASP A 1 -13.003 -3.876 10.598 1.00 9.23 O ATOM 5 CB ASP A 1 -15.443 -2.234 12.377 1.00 10.15 C ATOM 6 CG ASP A 1 -16.407 -2.787 13.425 1.00 11.04 C ATOM 7 OD1 ASP A 1 -16.529 -4.031 13.463 1.00 11.34 O ATOM 8 OD2 ASP A 1 -16.943 -1.975 14.203 1.00 11.76 O ATOM 0 H1 ASP A 1 -15.000 -4.662 12.828 1.00 10.45 H new ATOM 0 H2 ASP A 1 -13.474 -4.831 12.103 1.00 10.45 H new ATOM 0 H3 ASP A 1 -13.592 -4.417 13.745 1.00 10.45 H new ATOM 0 HA ASP A 1 -13.534 -2.283 13.215 1.00 10.00 H new ATOM 0 HB2 ASP A 1 -15.355 -1.155 12.508 1.00 10.15 H new ATOM 0 HB3 ASP A 1 -15.862 -2.402 11.385 1.00 10.15 H new ATOM 15 N LYS A 2 -13.130 -1.627 10.495 1.00 9.13 N ATOM 16 CA LYS A 2 -12.654 -1.570 9.111 1.00 8.78 C ATOM 17 C LYS A 2 -13.666 -2.247 8.185 1.00 7.20 C ATOM 18 O LYS A 2 -14.749 -2.637 8.612 1.00 7.08 O ATOM 19 CB LYS A 2 -11.238 -2.175 8.993 1.00 10.27 C ATOM 20 CG LYS A 2 -10.196 -1.320 9.710 1.00 11.91 C ATOM 21 CD LYS A 2 -9.712 -0.178 8.814 1.00 13.15 C ATOM 22 CE LYS A 2 -10.487 1.118 9.066 1.00 13.70 C ATOM 23 NZ LYS A 2 -9.564 2.271 9.103 1.00 15.37 N ATOM 0 H LYS A 2 -13.269 -0.719 10.939 1.00 9.13 H new ATOM 0 HA LYS A 2 -12.571 -0.529 8.797 1.00 8.78 H new ATOM 0 HB2 LYS A 2 -11.236 -3.180 9.414 1.00 10.27 H new ATOM 0 HB3 LYS A 2 -10.969 -2.270 7.941 1.00 10.27 H new ATOM 0 HG2 LYS A 2 -10.623 -0.912 10.626 1.00 11.91 H new ATOM 0 HG3 LYS A 2 -9.349 -1.941 10.002 1.00 11.91 H new ATOM 0 HD2 LYS A 2 -8.650 -0.005 8.989 1.00 13.15 H new ATOM 0 HD3 LYS A 2 -9.820 -0.467 7.769 1.00 13.15 H new ATOM 0 HE2 LYS A 2 -11.230 1.264 8.282 1.00 13.70 H new ATOM 0 HE3 LYS A 2 -11.029 1.048 10.009 1.00 13.70 H new ATOM 0 HZ1 LYS A 2 -10.104 3.143 9.275 1.00 15.37 H new ATOM 0 HZ2 LYS A 2 -8.871 2.137 9.867 1.00 15.37 H new ATOM 0 HZ3 LYS A 2 -9.066 2.346 8.193 1.00 15.37 H new ATOM 37 N ASP A 3 -13.351 -2.298 6.897 1.00 6.46 N ATOM 38 CA ASP A 3 -14.238 -2.879 5.910 1.00 5.15 C ATOM 39 C ASP A 3 -13.406 -3.213 4.681 1.00 4.10 C ATOM 40 O ASP A 3 -12.176 -3.140 4.728 1.00 4.63 O ATOM 41 CB ASP A 3 -15.364 -1.892 5.558 1.00 5.27 C ATOM 42 CG ASP A 3 -16.700 -2.608 5.396 1.00 5.32 C ATOM 43 OD1 ASP A 3 -16.652 -3.821 5.093 1.00 5.62 O ATOM 44 OD2 ASP A 3 -17.735 -1.919 5.518 1.00 5.79 O ATOM 0 H ASP A 3 -12.477 -1.938 6.513 1.00 6.46 H new ATOM 0 HA ASP A 3 -14.707 -3.782 6.300 1.00 5.15 H new ATOM 0 HB2 ASP A 3 -15.446 -1.137 6.340 1.00 5.27 H new ATOM 0 HB3 ASP A 3 -15.116 -1.368 4.635 1.00 5.27 H new ATOM 49 N VAL A 4 -14.061 -3.552 3.574 1.00 2.91 N ATOM 50 CA VAL A 4 -13.384 -3.897 2.344 1.00 2.19 C ATOM 51 C VAL A 4 -14.044 -3.129 1.218 1.00 1.67 C ATOM 52 O VAL A 4 -15.024 -3.573 0.622 1.00 2.43 O ATOM 53 CB VAL A 4 -13.401 -5.409 2.114 1.00 1.76 C ATOM 54 CG1 VAL A 4 -12.485 -5.734 0.936 1.00 2.39 C ATOM 55 CG2 VAL A 4 -12.878 -6.168 3.341 1.00 2.44 C ATOM 0 H VAL A 4 -15.078 -3.593 3.513 1.00 2.91 H new ATOM 0 HA VAL A 4 -12.332 -3.618 2.394 1.00 2.19 H new ATOM 0 HB VAL A 4 -14.430 -5.713 1.921 1.00 1.76 H new ATOM 0 HG11 VAL A 4 -12.487 -6.810 0.760 1.00 2.39 H new ATOM 0 HG12 VAL A 4 -12.843 -5.220 0.044 1.00 2.39 H new ATOM 0 HG13 VAL A 4 -11.471 -5.405 1.162 1.00 2.39 H new ATOM 0 HG21 VAL A 4 -12.904 -7.240 3.144 1.00 2.44 H new ATOM 0 HG22 VAL A 4 -11.853 -5.862 3.549 1.00 2.44 H new ATOM 0 HG23 VAL A 4 -13.506 -5.943 4.203 1.00 2.44 H new ATOM 65 N LYS A 5 -13.510 -1.953 0.902 1.00 1.03 N ATOM 66 CA LYS A 5 -14.093 -1.154 -0.155 1.00 0.62 C ATOM 67 C LYS A 5 -13.497 -1.597 -1.484 1.00 0.73 C ATOM 68 O LYS A 5 -12.708 -0.870 -2.053 1.00 1.81 O ATOM 69 CB LYS A 5 -13.859 0.335 0.135 1.00 1.11 C ATOM 70 CG LYS A 5 -14.891 1.191 -0.603 1.00 1.91 C ATOM 71 CD LYS A 5 -16.225 1.146 0.157 1.00 2.65 C ATOM 72 CE LYS A 5 -17.398 1.344 -0.805 1.00 4.05 C ATOM 73 NZ LYS A 5 -17.742 0.092 -1.515 1.00 5.59 N ATOM 0 H LYS A 5 -12.693 -1.544 1.355 1.00 1.03 H new ATOM 0 HA LYS A 5 -15.172 -1.299 -0.208 1.00 0.62 H new ATOM 0 HB2 LYS A 5 -13.926 0.518 1.207 1.00 1.11 H new ATOM 0 HB3 LYS A 5 -12.853 0.619 -0.175 1.00 1.11 H new ATOM 0 HG2 LYS A 5 -14.538 2.219 -0.681 1.00 1.91 H new ATOM 0 HG3 LYS A 5 -15.026 0.822 -1.620 1.00 1.91 H new ATOM 0 HD2 LYS A 5 -16.326 0.190 0.670 1.00 2.65 H new ATOM 0 HD3 LYS A 5 -16.240 1.922 0.923 1.00 2.65 H new ATOM 0 HE2 LYS A 5 -18.267 1.698 -0.251 1.00 4.05 H new ATOM 0 HE3 LYS A 5 -17.146 2.117 -1.531 1.00 4.05 H new ATOM 0 HZ1 LYS A 5 -18.541 0.266 -2.158 1.00 5.59 H new ATOM 0 HZ2 LYS A 5 -16.921 -0.233 -2.064 1.00 5.59 H new ATOM 0 HZ3 LYS A 5 -18.007 -0.638 -0.823 1.00 5.59 H new ATOM 87 N TYR A 6 -13.865 -2.789 -1.951 1.00 0.78 N ATOM 88 CA TYR A 6 -13.500 -3.386 -3.226 1.00 0.64 C ATOM 89 C TYR A 6 -13.224 -2.318 -4.291 1.00 0.58 C ATOM 90 O TYR A 6 -14.148 -1.836 -4.940 1.00 0.69 O ATOM 91 CB TYR A 6 -14.583 -4.385 -3.661 1.00 0.73 C ATOM 92 CG TYR A 6 -14.426 -5.787 -3.109 1.00 0.92 C ATOM 93 CD1 TYR A 6 -14.887 -6.107 -1.818 1.00 1.58 C ATOM 94 CD2 TYR A 6 -13.836 -6.783 -3.912 1.00 2.38 C ATOM 95 CE1 TYR A 6 -14.741 -7.414 -1.322 1.00 1.66 C ATOM 96 CE2 TYR A 6 -13.684 -8.091 -3.420 1.00 2.80 C ATOM 97 CZ TYR A 6 -14.121 -8.404 -2.115 1.00 1.81 C ATOM 98 OH TYR A 6 -13.891 -9.637 -1.593 1.00 2.32 O ATOM 0 H TYR A 6 -14.469 -3.404 -1.406 1.00 0.78 H new ATOM 0 HA TYR A 6 -12.567 -3.935 -3.104 1.00 0.64 H new ATOM 0 HB2 TYR A 6 -15.555 -3.998 -3.356 1.00 0.73 H new ATOM 0 HB3 TYR A 6 -14.589 -4.439 -4.750 1.00 0.73 H new ATOM 0 HD1 TYR A 6 -15.353 -5.347 -1.208 1.00 1.58 H new ATOM 0 HD2 TYR A 6 -13.499 -6.541 -4.909 1.00 2.38 H new ATOM 0 HE1 TYR A 6 -15.103 -7.661 -0.335 1.00 1.66 H new ATOM 0 HE2 TYR A 6 -13.234 -8.854 -4.038 1.00 2.80 H new ATOM 0 HH TYR A 6 -12.929 -9.757 -1.449 1.00 2.32 H new ATOM 108 N TYR A 7 -11.963 -1.899 -4.424 1.00 0.49 N ATOM 109 CA TYR A 7 -11.545 -0.847 -5.320 1.00 0.51 C ATOM 110 C TYR A 7 -11.032 -1.466 -6.603 1.00 0.57 C ATOM 111 O TYR A 7 -10.450 -2.546 -6.601 1.00 0.55 O ATOM 112 CB TYR A 7 -10.428 -0.038 -4.657 1.00 0.44 C ATOM 113 CG TYR A 7 -10.919 1.051 -3.726 1.00 0.48 C ATOM 114 CD1 TYR A 7 -11.648 2.139 -4.240 1.00 1.78 C ATOM 115 CD2 TYR A 7 -10.675 0.971 -2.346 1.00 2.02 C ATOM 116 CE1 TYR A 7 -12.141 3.144 -3.390 1.00 1.80 C ATOM 117 CE2 TYR A 7 -11.205 1.946 -1.486 1.00 2.10 C ATOM 118 CZ TYR A 7 -11.925 3.042 -1.998 1.00 0.77 C ATOM 119 OH TYR A 7 -12.340 4.021 -1.148 1.00 0.95 O ATOM 0 H TYR A 7 -11.192 -2.301 -3.891 1.00 0.49 H new ATOM 0 HA TYR A 7 -12.386 -0.190 -5.543 1.00 0.51 H new ATOM 0 HB2 TYR A 7 -9.786 -0.718 -4.096 1.00 0.44 H new ATOM 0 HB3 TYR A 7 -9.812 0.414 -5.434 1.00 0.44 H new ATOM 0 HD1 TYR A 7 -11.831 2.203 -5.302 1.00 1.78 H new ATOM 0 HD2 TYR A 7 -10.081 0.162 -1.947 1.00 2.02 H new ATOM 0 HE1 TYR A 7 -12.680 3.986 -3.798 1.00 1.80 H new ATOM 0 HE2 TYR A 7 -11.059 1.854 -0.420 1.00 2.10 H new ATOM 0 HH TYR A 7 -12.106 3.777 -0.228 1.00 0.95 H new ATOM 129 N THR A 8 -11.213 -0.780 -7.717 1.00 0.68 N ATOM 130 CA THR A 8 -10.786 -1.311 -8.995 1.00 0.75 C ATOM 131 C THR A 8 -9.334 -0.911 -9.216 1.00 0.72 C ATOM 132 O THR A 8 -8.846 0.036 -8.598 1.00 0.69 O ATOM 133 CB THR A 8 -11.747 -0.774 -10.061 1.00 0.87 C ATOM 134 OG1 THR A 8 -11.924 0.611 -9.880 1.00 1.01 O ATOM 135 CG2 THR A 8 -13.124 -1.426 -9.888 1.00 0.93 C ATOM 0 H THR A 8 -11.650 0.140 -7.761 1.00 0.68 H new ATOM 0 HA THR A 8 -10.821 -2.399 -9.041 1.00 0.75 H new ATOM 0 HB THR A 8 -11.331 -0.992 -11.044 1.00 0.87 H new ATOM 0 HG1 THR A 8 -12.537 0.954 -10.563 1.00 1.01 H new ATOM 0 HG21 THR A 8 -13.806 -1.043 -10.647 1.00 0.93 H new ATOM 0 HG22 THR A 8 -13.031 -2.507 -9.996 1.00 0.93 H new ATOM 0 HG23 THR A 8 -13.515 -1.193 -8.898 1.00 0.93 H new ATOM 143 N LEU A 9 -8.631 -1.597 -10.117 1.00 0.81 N ATOM 144 CA LEU A 9 -7.238 -1.269 -10.385 1.00 0.81 C ATOM 145 C LEU A 9 -7.109 0.198 -10.754 1.00 0.84 C ATOM 146 O LEU A 9 -6.213 0.876 -10.267 1.00 0.80 O ATOM 147 CB LEU A 9 -6.632 -2.152 -11.481 1.00 0.96 C ATOM 148 CG LEU A 9 -6.724 -3.653 -11.178 1.00 1.05 C ATOM 149 CD1 LEU A 9 -6.452 -3.904 -9.691 1.00 1.08 C ATOM 150 CD2 LEU A 9 -8.094 -4.215 -11.575 1.00 1.34 C ATOM 0 H LEU A 9 -9.001 -2.373 -10.666 1.00 0.81 H new ATOM 0 HA LEU A 9 -6.676 -1.463 -9.472 1.00 0.81 H new ATOM 0 HB2 LEU A 9 -7.140 -1.948 -12.423 1.00 0.96 H new ATOM 0 HB3 LEU A 9 -5.585 -1.881 -11.618 1.00 0.96 H new ATOM 0 HG LEU A 9 -5.968 -4.169 -11.770 1.00 1.05 H new ATOM 0 HD11 LEU A 9 -6.519 -4.972 -9.484 1.00 1.08 H new ATOM 0 HD12 LEU A 9 -5.453 -3.548 -9.439 1.00 1.08 H new ATOM 0 HD13 LEU A 9 -7.190 -3.371 -9.091 1.00 1.08 H new ATOM 0 HD21 LEU A 9 -8.130 -5.281 -11.349 1.00 1.34 H new ATOM 0 HD22 LEU A 9 -8.875 -3.699 -11.016 1.00 1.34 H new ATOM 0 HD23 LEU A 9 -8.253 -4.066 -12.643 1.00 1.34 H new ATOM 162 N GLU A 10 -8.037 0.692 -11.571 1.00 0.97 N ATOM 163 CA GLU A 10 -8.091 2.088 -11.970 1.00 1.08 C ATOM 164 C GLU A 10 -8.099 3.016 -10.765 1.00 0.99 C ATOM 165 O GLU A 10 -7.399 4.017 -10.799 1.00 1.03 O ATOM 166 CB GLU A 10 -9.346 2.329 -12.811 1.00 1.32 C ATOM 167 CG GLU A 10 -9.132 1.885 -14.265 1.00 1.47 C ATOM 168 CD GLU A 10 -8.837 3.053 -15.213 1.00 2.07 C ATOM 169 OE1 GLU A 10 -9.534 4.086 -15.105 1.00 3.11 O ATOM 170 OE2 GLU A 10 -7.916 2.886 -16.042 1.00 2.85 O ATOM 0 H GLU A 10 -8.780 0.123 -11.977 1.00 0.97 H new ATOM 0 HA GLU A 10 -7.198 2.307 -12.556 1.00 1.08 H new ATOM 0 HB2 GLU A 10 -10.186 1.783 -12.381 1.00 1.32 H new ATOM 0 HB3 GLU A 10 -9.607 3.387 -12.785 1.00 1.32 H new ATOM 0 HG2 GLU A 10 -8.305 1.175 -14.304 1.00 1.47 H new ATOM 0 HG3 GLU A 10 -10.021 1.358 -14.612 1.00 1.47 H new ATOM 177 N GLU A 11 -8.835 2.700 -9.696 1.00 0.92 N ATOM 178 CA GLU A 11 -8.846 3.519 -8.500 1.00 0.88 C ATOM 179 C GLU A 11 -7.459 3.504 -7.884 1.00 0.66 C ATOM 180 O GLU A 11 -6.884 4.544 -7.603 1.00 0.63 O ATOM 181 CB GLU A 11 -9.891 2.987 -7.515 1.00 0.93 C ATOM 182 CG GLU A 11 -11.313 3.289 -7.993 1.00 1.38 C ATOM 183 CD GLU A 11 -11.585 4.784 -8.219 1.00 1.31 C ATOM 184 OE1 GLU A 11 -10.963 5.618 -7.524 1.00 1.52 O ATOM 185 OE2 GLU A 11 -12.398 5.093 -9.117 1.00 2.56 O ATOM 0 H GLU A 11 -9.432 1.875 -9.643 1.00 0.92 H new ATOM 0 HA GLU A 11 -9.112 4.546 -8.749 1.00 0.88 H new ATOM 0 HB2 GLU A 11 -9.766 1.911 -7.396 1.00 0.93 H new ATOM 0 HB3 GLU A 11 -9.732 3.437 -6.535 1.00 0.93 H new ATOM 0 HG2 GLU A 11 -11.496 2.751 -8.923 1.00 1.38 H new ATOM 0 HG3 GLU A 11 -12.022 2.907 -7.259 1.00 1.38 H new ATOM 192 N ILE A 12 -6.838 2.340 -7.751 1.00 0.50 N ATOM 193 CA ILE A 12 -5.533 2.298 -7.109 1.00 0.38 C ATOM 194 C ILE A 12 -4.537 3.161 -7.885 1.00 0.47 C ATOM 195 O ILE A 12 -3.768 3.917 -7.304 1.00 0.50 O ATOM 196 CB ILE A 12 -5.047 0.859 -7.043 1.00 0.39 C ATOM 197 CG1 ILE A 12 -6.022 0.026 -6.226 1.00 0.43 C ATOM 198 CG2 ILE A 12 -3.669 0.715 -6.404 1.00 0.51 C ATOM 199 CD1 ILE A 12 -6.060 -1.388 -6.797 1.00 0.97 C ATOM 0 H ILE A 12 -7.201 1.441 -8.067 1.00 0.50 H new ATOM 0 HA ILE A 12 -5.616 2.693 -6.097 1.00 0.38 H new ATOM 0 HB ILE A 12 -4.982 0.515 -8.075 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -5.714 0.003 -5.181 1.00 0.43 H new ATOM 0 HG13 ILE A 12 -7.016 0.472 -6.256 1.00 0.43 H new ATOM 0 HG21 ILE A 12 -3.383 -0.337 -6.389 1.00 0.51 H new ATOM 0 HG22 ILE A 12 -2.939 1.281 -6.982 1.00 0.51 H new ATOM 0 HG23 ILE A 12 -3.699 1.098 -5.384 1.00 0.51 H new ATOM 0 HD11 ILE A 12 -6.756 -1.995 -6.219 1.00 0.97 H new ATOM 0 HD12 ILE A 12 -6.386 -1.352 -7.836 1.00 0.97 H new ATOM 0 HD13 ILE A 12 -5.064 -1.829 -6.744 1.00 0.97 H new ATOM 211 N LYS A 13 -4.576 3.094 -9.216 1.00 0.55 N ATOM 212 CA LYS A 13 -3.749 3.947 -10.061 1.00 0.76 C ATOM 213 C LYS A 13 -4.212 5.395 -10.000 1.00 0.93 C ATOM 214 O LYS A 13 -3.396 6.302 -10.135 1.00 1.49 O ATOM 215 CB LYS A 13 -3.788 3.434 -11.504 1.00 1.06 C ATOM 216 CG LYS A 13 -2.879 2.201 -11.635 1.00 1.08 C ATOM 217 CD LYS A 13 -3.584 0.962 -12.192 1.00 1.14 C ATOM 218 CE LYS A 13 -3.445 0.851 -13.709 1.00 1.89 C ATOM 219 NZ LYS A 13 -3.929 -0.464 -14.184 1.00 2.37 N ATOM 0 H LYS A 13 -5.177 2.452 -9.732 1.00 0.55 H new ATOM 0 HA LYS A 13 -2.724 3.911 -9.693 1.00 0.76 H new ATOM 0 HB2 LYS A 13 -4.810 3.177 -11.782 1.00 1.06 H new ATOM 0 HB3 LYS A 13 -3.459 4.216 -12.188 1.00 1.06 H new ATOM 0 HG2 LYS A 13 -2.038 2.450 -12.283 1.00 1.08 H new ATOM 0 HG3 LYS A 13 -2.466 1.961 -10.655 1.00 1.08 H new ATOM 0 HD2 LYS A 13 -3.169 0.069 -11.725 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -4.641 0.998 -11.928 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -4.012 1.648 -14.190 1.00 1.89 H new ATOM 0 HE3 LYS A 13 -2.402 0.985 -13.994 1.00 1.89 H new ATOM 0 HZ1 LYS A 13 -3.826 -0.519 -15.217 1.00 2.37 H new ATOM 0 HZ2 LYS A 13 -3.371 -1.221 -13.739 1.00 2.37 H new ATOM 0 HZ3 LYS A 13 -4.931 -0.578 -13.929 1.00 2.37 H new ATOM 233 N LYS A 14 -5.492 5.643 -9.723 1.00 0.85 N ATOM 234 CA LYS A 14 -6.012 6.988 -9.534 1.00 1.00 C ATOM 235 C LYS A 14 -5.337 7.635 -8.330 1.00 0.77 C ATOM 236 O LYS A 14 -5.424 8.850 -8.160 1.00 0.95 O ATOM 237 CB LYS A 14 -7.542 6.945 -9.384 1.00 1.24 C ATOM 238 CG LYS A 14 -8.174 8.331 -9.476 1.00 2.20 C ATOM 239 CD LYS A 14 -9.696 8.212 -9.599 1.00 2.81 C ATOM 240 CE LYS A 14 -10.228 9.468 -10.292 1.00 3.68 C ATOM 241 NZ LYS A 14 -11.501 9.922 -9.703 1.00 4.85 N ATOM 0 H LYS A 14 -6.196 4.911 -9.624 1.00 0.85 H new ATOM 0 HA LYS A 14 -5.787 7.598 -10.409 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -7.963 6.305 -10.159 1.00 1.24 H new ATOM 0 HB3 LYS A 14 -7.798 6.495 -8.425 1.00 1.24 H new ATOM 0 HG2 LYS A 14 -7.918 8.915 -8.592 1.00 2.20 H new ATOM 0 HG3 LYS A 14 -7.773 8.865 -10.338 1.00 2.20 H new ATOM 0 HD2 LYS A 14 -9.961 7.323 -10.171 1.00 2.81 H new ATOM 0 HD3 LYS A 14 -10.148 8.103 -8.613 1.00 2.81 H new ATOM 0 HE2 LYS A 14 -9.488 10.265 -10.217 1.00 3.68 H new ATOM 0 HE3 LYS A 14 -10.371 9.264 -11.353 1.00 3.68 H new ATOM 0 HZ1 LYS A 14 -11.829 10.775 -10.200 1.00 4.85 H new ATOM 0 HZ2 LYS A 14 -12.214 9.171 -9.797 1.00 4.85 H new ATOM 0 HZ3 LYS A 14 -11.359 10.141 -8.696 1.00 4.85 H new ATOM 255 N HIS A 15 -4.636 6.856 -7.500 1.00 0.60 N ATOM 256 CA HIS A 15 -3.945 7.386 -6.355 1.00 0.60 C ATOM 257 C HIS A 15 -2.572 6.728 -6.175 1.00 1.21 C ATOM 258 O HIS A 15 -2.401 5.668 -5.578 1.00 2.84 O ATOM 259 CB HIS A 15 -4.821 7.255 -5.124 1.00 1.00 C ATOM 260 CG HIS A 15 -6.294 6.998 -5.321 1.00 0.89 C ATOM 261 ND1 HIS A 15 -7.242 7.906 -5.737 1.00 1.56 N ATOM 262 CD2 HIS A 15 -6.920 5.797 -5.140 1.00 0.83 C ATOM 263 CE1 HIS A 15 -8.420 7.252 -5.789 1.00 1.54 C ATOM 264 NE2 HIS A 15 -8.276 5.978 -5.404 1.00 0.93 N ATOM 0 H HIS A 15 -4.541 5.847 -7.615 1.00 0.60 H new ATOM 0 HA HIS A 15 -3.750 8.446 -6.515 1.00 0.60 H new ATOM 0 HB2 HIS A 15 -4.420 6.445 -4.515 1.00 1.00 H new ATOM 0 HB3 HIS A 15 -4.718 8.171 -4.543 1.00 1.00 H new ATOM 0 HD2 HIS A 15 -6.448 4.872 -4.845 1.00 0.83 H new ATOM 0 HE1 HIS A 15 -9.354 7.696 -6.100 1.00 1.54 H new ATOM 0 HE2 HIS A 15 -9.013 5.278 -5.320 1.00 0.93 H new ATOM 272 N ASN A 16 -1.556 7.390 -6.716 1.00 0.71 N ATOM 273 CA ASN A 16 -0.190 6.873 -6.749 1.00 1.07 C ATOM 274 C ASN A 16 0.841 8.004 -6.677 1.00 1.40 C ATOM 275 O ASN A 16 1.963 7.868 -7.156 1.00 2.07 O ATOM 276 CB ASN A 16 0.022 5.989 -7.992 1.00 1.25 C ATOM 277 CG ASN A 16 0.135 6.801 -9.273 1.00 1.23 C ATOM 278 OD1 ASN A 16 1.169 6.832 -9.929 1.00 2.30 O ATOM 279 ND2 ASN A 16 -0.930 7.494 -9.639 1.00 1.83 N ATOM 0 H ASN A 16 -1.656 8.308 -7.148 1.00 0.71 H new ATOM 0 HA ASN A 16 -0.041 6.252 -5.865 1.00 1.07 H new ATOM 0 HB2 ASN A 16 0.927 5.395 -7.861 1.00 1.25 H new ATOM 0 HB3 ASN A 16 -0.809 5.289 -8.082 1.00 1.25 H new ATOM 0 HD21 ASN A 16 -0.900 8.068 -10.482 1.00 1.83 H new ATOM 0 HD22 ASN A 16 -1.781 7.454 -9.079 1.00 1.83 H new ATOM 286 N HIS A 17 0.460 9.145 -6.097 1.00 1.19 N ATOM 287 CA HIS A 17 1.296 10.342 -6.120 1.00 1.69 C ATOM 288 C HIS A 17 1.762 10.695 -4.713 1.00 1.85 C ATOM 289 O HIS A 17 2.952 10.719 -4.426 1.00 2.97 O ATOM 290 CB HIS A 17 0.539 11.508 -6.768 1.00 1.84 C ATOM 291 CG HIS A 17 0.004 11.199 -8.142 1.00 2.37 C ATOM 292 ND1 HIS A 17 0.637 11.479 -9.334 1.00 3.66 N ATOM 293 CD2 HIS A 17 -1.198 10.610 -8.435 1.00 2.12 C ATOM 294 CE1 HIS A 17 -0.170 11.060 -10.323 1.00 4.25 C ATOM 295 NE2 HIS A 17 -1.295 10.521 -9.826 1.00 3.32 N ATOM 0 H HIS A 17 -0.426 9.262 -5.605 1.00 1.19 H new ATOM 0 HA HIS A 17 2.182 10.141 -6.722 1.00 1.69 H new ATOM 0 HB2 HIS A 17 -0.291 11.794 -6.121 1.00 1.84 H new ATOM 0 HB3 HIS A 17 1.204 12.369 -6.833 1.00 1.84 H new ATOM 0 HD2 HIS A 17 -1.936 10.276 -7.721 1.00 2.12 H new ATOM 0 HE1 HIS A 17 0.056 11.145 -11.376 1.00 4.25 H new ATOM 0 HE2 HIS A 17 -2.069 10.124 -10.359 1.00 3.32 H new ATOM 303 N SER A 18 0.819 11.000 -3.825 1.00 1.84 N ATOM 304 CA SER A 18 1.103 11.348 -2.435 1.00 2.07 C ATOM 305 C SER A 18 -0.182 11.718 -1.715 1.00 1.90 C ATOM 306 O SER A 18 -0.294 11.498 -0.519 1.00 2.94 O ATOM 307 CB SER A 18 2.041 12.560 -2.336 1.00 2.27 C ATOM 308 OG SER A 18 3.365 12.169 -2.054 1.00 3.19 O ATOM 0 H SER A 18 -0.175 11.013 -4.053 1.00 1.84 H new ATOM 0 HA SER A 18 1.575 10.476 -1.982 1.00 2.07 H new ATOM 0 HB2 SER A 18 2.017 13.117 -3.273 1.00 2.27 H new ATOM 0 HB3 SER A 18 1.686 13.233 -1.556 1.00 2.27 H new ATOM 0 HG SER A 18 3.684 11.564 -2.756 1.00 3.19 H new ATOM 314 N LYS A 19 -1.175 12.253 -2.429 1.00 1.20 N ATOM 315 CA LYS A 19 -2.463 12.570 -1.821 1.00 1.27 C ATOM 316 C LYS A 19 -3.231 11.314 -1.395 1.00 1.14 C ATOM 317 O LYS A 19 -4.162 11.436 -0.610 1.00 1.52 O ATOM 318 CB LYS A 19 -3.289 13.412 -2.809 1.00 1.84 C ATOM 319 CG LYS A 19 -3.748 14.755 -2.224 1.00 2.24 C ATOM 320 CD LYS A 19 -5.233 14.745 -1.855 1.00 3.29 C ATOM 321 CE LYS A 19 -5.751 16.186 -1.810 1.00 4.12 C ATOM 322 NZ LYS A 19 -6.721 16.393 -0.715 1.00 5.25 N ATOM 0 H LYS A 19 -1.110 12.474 -3.423 1.00 1.20 H new ATOM 0 HA LYS A 19 -2.282 13.141 -0.910 1.00 1.27 H new ATOM 0 HB2 LYS A 19 -2.695 13.597 -3.704 1.00 1.84 H new ATOM 0 HB3 LYS A 19 -4.164 12.841 -3.120 1.00 1.84 H new ATOM 0 HG2 LYS A 19 -3.156 14.985 -1.338 1.00 2.24 H new ATOM 0 HG3 LYS A 19 -3.560 15.548 -2.948 1.00 2.24 H new ATOM 0 HD2 LYS A 19 -5.798 14.166 -2.586 1.00 3.29 H new ATOM 0 HD3 LYS A 19 -5.376 14.264 -0.887 1.00 3.29 H new ATOM 0 HE2 LYS A 19 -4.911 16.869 -1.684 1.00 4.12 H new ATOM 0 HE3 LYS A 19 -6.221 16.432 -2.762 1.00 4.12 H new ATOM 0 HZ1 LYS A 19 -7.046 17.381 -0.721 1.00 5.25 H new ATOM 0 HZ2 LYS A 19 -7.535 15.760 -0.848 1.00 5.25 H new ATOM 0 HZ3 LYS A 19 -6.266 16.184 0.196 1.00 5.25 H new ATOM 336 N SER A 20 -2.843 10.153 -1.928 1.00 0.97 N ATOM 337 CA SER A 20 -3.356 8.827 -1.612 1.00 0.96 C ATOM 338 C SER A 20 -2.361 7.818 -2.208 1.00 0.98 C ATOM 339 O SER A 20 -2.698 7.091 -3.125 1.00 1.69 O ATOM 340 CB SER A 20 -4.769 8.678 -2.188 1.00 1.26 C ATOM 341 OG SER A 20 -5.753 8.918 -1.209 1.00 2.10 O ATOM 0 H SER A 20 -2.113 10.117 -2.639 1.00 0.97 H new ATOM 0 HA SER A 20 -3.441 8.655 -0.539 1.00 0.96 H new ATOM 0 HB2 SER A 20 -4.901 9.374 -3.016 1.00 1.26 H new ATOM 0 HB3 SER A 20 -4.894 7.674 -2.593 1.00 1.26 H new ATOM 0 HG SER A 20 -5.561 9.763 -0.752 1.00 2.10 H new ATOM 347 N THR A 21 -1.092 7.813 -1.791 1.00 0.56 N ATOM 348 CA THR A 21 -0.151 6.732 -2.048 1.00 0.55 C ATOM 349 C THR A 21 -0.759 5.420 -1.567 1.00 0.46 C ATOM 350 O THR A 21 -0.651 5.032 -0.403 1.00 0.44 O ATOM 351 CB THR A 21 1.203 7.070 -1.401 1.00 0.64 C ATOM 352 OG1 THR A 21 1.926 7.827 -2.347 1.00 1.34 O ATOM 353 CG2 THR A 21 2.064 5.871 -0.998 1.00 0.62 C ATOM 0 H THR A 21 -0.686 8.580 -1.254 1.00 0.56 H new ATOM 0 HA THR A 21 0.042 6.614 -3.114 1.00 0.55 H new ATOM 0 HB THR A 21 0.984 7.595 -0.471 1.00 0.64 H new ATOM 0 HG1 THR A 21 2.881 7.798 -2.128 1.00 1.34 H new ATOM 0 HG21 THR A 21 2.994 6.224 -0.553 1.00 0.62 H new ATOM 0 HG22 THR A 21 1.523 5.262 -0.274 1.00 0.62 H new ATOM 0 HG23 THR A 21 2.289 5.272 -1.880 1.00 0.62 H new ATOM 361 N TRP A 22 -1.452 4.754 -2.485 1.00 0.47 N ATOM 362 CA TRP A 22 -1.933 3.421 -2.240 1.00 0.45 C ATOM 363 C TRP A 22 -0.877 2.453 -2.698 1.00 0.47 C ATOM 364 O TRP A 22 0.080 2.874 -3.332 1.00 0.50 O ATOM 365 CB TRP A 22 -3.247 3.235 -2.975 1.00 0.48 C ATOM 366 CG TRP A 22 -4.382 3.916 -2.293 1.00 0.43 C ATOM 367 CD1 TRP A 22 -4.312 4.826 -1.292 1.00 0.40 C ATOM 368 CD2 TRP A 22 -5.789 3.714 -2.546 1.00 0.47 C ATOM 369 NE1 TRP A 22 -5.582 5.202 -0.911 1.00 0.42 N ATOM 370 CE2 TRP A 22 -6.534 4.572 -1.688 1.00 0.47 C ATOM 371 CE3 TRP A 22 -6.493 2.878 -3.432 1.00 0.55 C ATOM 372 CZ2 TRP A 22 -7.932 4.622 -1.741 1.00 0.56 C ATOM 373 CZ3 TRP A 22 -7.889 2.945 -3.521 1.00 0.62 C ATOM 374 CH2 TRP A 22 -8.598 3.826 -2.689 1.00 0.63 C ATOM 0 H TRP A 22 -1.688 5.127 -3.405 1.00 0.47 H new ATOM 0 HA TRP A 22 -2.121 3.244 -1.181 1.00 0.45 H new ATOM 0 HB2 TRP A 22 -3.151 3.623 -3.989 1.00 0.48 H new ATOM 0 HB3 TRP A 22 -3.464 2.170 -3.061 1.00 0.48 H new ATOM 0 HD1 TRP A 22 -3.397 5.201 -0.857 1.00 0.40 H new ATOM 0 HE1 TRP A 22 -5.790 5.857 -0.157 1.00 0.42 H new ATOM 0 HE3 TRP A 22 -5.951 2.177 -4.050 1.00 0.55 H new ATOM 0 HZ2 TRP A 22 -8.487 5.259 -1.068 1.00 0.56 H new ATOM 0 HZ3 TRP A 22 -8.418 2.322 -4.227 1.00 0.62 H new ATOM 0 HH2 TRP A 22 -9.672 3.893 -2.779 1.00 0.63 H new ATOM 385 N LEU A 23 -1.011 1.178 -2.364 1.00 0.50 N ATOM 386 CA LEU A 23 -0.119 0.135 -2.827 1.00 0.54 C ATOM 387 C LEU A 23 -0.673 -1.189 -2.322 1.00 0.76 C ATOM 388 O LEU A 23 -1.455 -1.207 -1.379 1.00 1.02 O ATOM 389 CB LEU A 23 1.318 0.446 -2.387 1.00 0.37 C ATOM 390 CG LEU A 23 1.472 0.852 -0.908 1.00 0.45 C ATOM 391 CD1 LEU A 23 1.350 -0.397 -0.062 1.00 0.61 C ATOM 392 CD2 LEU A 23 2.813 1.568 -0.706 1.00 0.57 C ATOM 0 H LEU A 23 -1.755 0.838 -1.754 1.00 0.50 H new ATOM 0 HA LEU A 23 -0.068 0.074 -3.914 1.00 0.54 H new ATOM 0 HB2 LEU A 23 1.937 -0.431 -2.574 1.00 0.37 H new ATOM 0 HB3 LEU A 23 1.707 1.250 -3.012 1.00 0.37 H new ATOM 0 HG LEU A 23 0.692 1.551 -0.606 1.00 0.45 H new ATOM 0 HD11 LEU A 23 1.456 -0.135 0.991 1.00 0.61 H new ATOM 0 HD12 LEU A 23 0.374 -0.854 -0.226 1.00 0.61 H new ATOM 0 HD13 LEU A 23 2.132 -1.103 -0.341 1.00 0.61 H new ATOM 0 HD21 LEU A 23 2.919 1.854 0.341 1.00 0.57 H new ATOM 0 HD22 LEU A 23 3.628 0.900 -0.984 1.00 0.57 H new ATOM 0 HD23 LEU A 23 2.847 2.460 -1.331 1.00 0.57 H new ATOM 404 N ILE A 24 -0.305 -2.306 -2.934 1.00 0.72 N ATOM 405 CA ILE A 24 -0.908 -3.588 -2.596 1.00 0.87 C ATOM 406 C ILE A 24 0.215 -4.369 -1.940 1.00 0.80 C ATOM 407 O ILE A 24 1.205 -4.656 -2.606 1.00 0.69 O ATOM 408 CB ILE A 24 -1.349 -4.314 -3.879 1.00 1.04 C ATOM 409 CG1 ILE A 24 -2.312 -3.414 -4.675 1.00 1.04 C ATOM 410 CG2 ILE A 24 -1.945 -5.712 -3.621 1.00 1.22 C ATOM 411 CD1 ILE A 24 -1.904 -3.233 -6.147 1.00 1.62 C ATOM 0 H ILE A 24 0.405 -2.351 -3.664 1.00 0.72 H new ATOM 0 HA ILE A 24 -1.784 -3.481 -1.956 1.00 0.87 H new ATOM 0 HB ILE A 24 -0.455 -4.498 -4.475 1.00 1.04 H new ATOM 0 HG12 ILE A 24 -3.314 -3.841 -4.633 1.00 1.04 H new ATOM 0 HG13 ILE A 24 -2.362 -2.436 -4.197 1.00 1.04 H new ATOM 0 HG21 ILE A 24 -2.234 -6.165 -4.569 1.00 1.22 H new ATOM 0 HG22 ILE A 24 -1.201 -6.340 -3.131 1.00 1.22 H new ATOM 0 HG23 ILE A 24 -2.822 -5.621 -2.980 1.00 1.22 H new ATOM 0 HD11 ILE A 24 -2.626 -2.588 -6.648 1.00 1.62 H new ATOM 0 HD12 ILE A 24 -0.915 -2.778 -6.197 1.00 1.62 H new ATOM 0 HD13 ILE A 24 -1.882 -4.205 -6.641 1.00 1.62 H new ATOM 423 N LEU A 25 0.122 -4.714 -0.656 1.00 0.94 N ATOM 424 CA LEU A 25 1.193 -5.481 -0.014 1.00 0.94 C ATOM 425 C LEU A 25 0.804 -6.912 0.266 1.00 1.35 C ATOM 426 O LEU A 25 1.488 -7.568 1.038 1.00 2.88 O ATOM 427 CB LEU A 25 1.652 -4.840 1.280 1.00 0.99 C ATOM 428 CG LEU A 25 2.074 -3.402 1.038 1.00 0.67 C ATOM 429 CD1 LEU A 25 2.659 -2.844 2.319 1.00 0.79 C ATOM 430 CD2 LEU A 25 3.083 -3.295 -0.087 1.00 1.40 C ATOM 0 H LEU A 25 -0.665 -4.482 -0.050 1.00 0.94 H new ATOM 0 HA LEU A 25 2.012 -5.479 -0.733 1.00 0.94 H new ATOM 0 HB2 LEU A 25 0.847 -4.871 2.014 1.00 0.99 H new ATOM 0 HB3 LEU A 25 2.486 -5.405 1.697 1.00 0.99 H new ATOM 0 HG LEU A 25 1.197 -2.826 0.741 1.00 0.67 H new ATOM 0 HD11 LEU A 25 2.966 -1.811 2.159 1.00 0.79 H new ATOM 0 HD12 LEU A 25 1.908 -2.881 3.108 1.00 0.79 H new ATOM 0 HD13 LEU A 25 3.524 -3.438 2.613 1.00 0.79 H new ATOM 0 HD21 LEU A 25 3.360 -2.250 -0.229 1.00 1.40 H new ATOM 0 HD22 LEU A 25 3.971 -3.875 0.164 1.00 1.40 H new ATOM 0 HD23 LEU A 25 2.645 -3.683 -1.007 1.00 1.40 H new ATOM 442 N HIS A 26 -0.300 -7.360 -0.326 1.00 0.80 N ATOM 443 CA HIS A 26 -0.907 -8.664 -0.119 1.00 0.85 C ATOM 444 C HIS A 26 -2.357 -8.601 -0.538 1.00 0.88 C ATOM 445 O HIS A 26 -3.214 -8.489 0.324 1.00 1.41 O ATOM 446 CB HIS A 26 -0.802 -9.182 1.330 1.00 0.91 C ATOM 447 CG HIS A 26 -1.391 -8.315 2.425 1.00 2.64 C ATOM 448 ND1 HIS A 26 -1.855 -8.797 3.627 1.00 4.42 N ATOM 449 CD2 HIS A 26 -1.692 -6.979 2.375 1.00 3.40 C ATOM 450 CE1 HIS A 26 -2.429 -7.778 4.283 1.00 5.96 C ATOM 451 NE2 HIS A 26 -2.360 -6.660 3.556 1.00 5.44 N ATOM 0 H HIS A 26 -0.818 -6.792 -0.996 1.00 0.80 H new ATOM 0 HA HIS A 26 -0.349 -9.374 -0.730 1.00 0.85 H new ATOM 0 HB2 HIS A 26 -1.287 -10.157 1.375 1.00 0.91 H new ATOM 0 HB3 HIS A 26 0.253 -9.340 1.556 1.00 0.91 H new ATOM 0 HD2 HIS A 26 -1.455 -6.299 1.570 1.00 3.40 H new ATOM 0 HE1 HIS A 26 -2.883 -7.851 5.260 1.00 5.96 H new ATOM 0 HE2 HIS A 26 -2.727 -5.745 3.816 1.00 5.44 H new ATOM 459 N HIS A 27 -2.645 -8.759 -1.834 1.00 0.69 N ATOM 460 CA HIS A 27 -4.005 -8.741 -2.370 1.00 0.72 C ATOM 461 C HIS A 27 -4.971 -7.868 -1.565 1.00 0.64 C ATOM 462 O HIS A 27 -6.055 -8.304 -1.191 1.00 0.79 O ATOM 463 CB HIS A 27 -4.509 -10.191 -2.434 1.00 0.88 C ATOM 464 CG HIS A 27 -4.343 -11.048 -1.205 1.00 1.86 C ATOM 465 ND1 HIS A 27 -5.363 -11.596 -0.460 1.00 3.06 N ATOM 466 CD2 HIS A 27 -3.162 -11.532 -0.713 1.00 2.70 C ATOM 467 CE1 HIS A 27 -4.791 -12.345 0.503 1.00 3.70 C ATOM 468 NE2 HIS A 27 -3.457 -12.330 0.391 1.00 3.46 N ATOM 0 H HIS A 27 -1.930 -8.905 -2.547 1.00 0.69 H new ATOM 0 HA HIS A 27 -3.971 -8.291 -3.362 1.00 0.72 H new ATOM 0 HB2 HIS A 27 -5.570 -10.166 -2.684 1.00 0.88 H new ATOM 0 HB3 HIS A 27 -3.998 -10.687 -3.260 1.00 0.88 H new ATOM 0 HD2 HIS A 27 -2.177 -11.332 -1.109 1.00 2.70 H new ATOM 0 HE1 HIS A 27 -5.336 -12.885 1.263 1.00 3.70 H new ATOM 0 HE2 HIS A 27 -2.788 -12.808 0.995 1.00 3.46 H new ATOM 476 N LYS A 28 -4.533 -6.649 -1.253 1.00 0.54 N ATOM 477 CA LYS A 28 -5.264 -5.659 -0.487 1.00 0.48 C ATOM 478 C LYS A 28 -4.795 -4.296 -0.954 1.00 0.38 C ATOM 479 O LYS A 28 -3.863 -4.213 -1.742 1.00 0.52 O ATOM 480 CB LYS A 28 -5.024 -5.836 1.022 1.00 0.62 C ATOM 481 CG LYS A 28 -6.136 -6.668 1.673 1.00 0.95 C ATOM 482 CD LYS A 28 -5.723 -8.109 1.971 1.00 1.06 C ATOM 483 CE LYS A 28 -6.937 -8.856 2.520 1.00 1.60 C ATOM 484 NZ LYS A 28 -7.162 -10.105 1.769 1.00 2.85 N ATOM 0 H LYS A 28 -3.614 -6.316 -1.545 1.00 0.54 H new ATOM 0 HA LYS A 28 -6.336 -5.771 -0.647 1.00 0.48 H new ATOM 0 HB2 LYS A 28 -4.062 -6.322 1.184 1.00 0.62 H new ATOM 0 HB3 LYS A 28 -4.972 -4.858 1.501 1.00 0.62 H new ATOM 0 HG2 LYS A 28 -6.443 -6.187 2.602 1.00 0.95 H new ATOM 0 HG3 LYS A 28 -7.005 -6.676 1.016 1.00 0.95 H new ATOM 0 HD2 LYS A 28 -5.357 -8.593 1.066 1.00 1.06 H new ATOM 0 HD3 LYS A 28 -4.908 -8.128 2.694 1.00 1.06 H new ATOM 0 HE2 LYS A 28 -6.785 -9.082 3.575 1.00 1.60 H new ATOM 0 HE3 LYS A 28 -7.821 -8.222 2.454 1.00 1.60 H new ATOM 0 HZ1 LYS A 28 -8.025 -10.015 1.196 1.00 2.85 H new ATOM 0 HZ2 LYS A 28 -6.350 -10.286 1.145 1.00 2.85 H new ATOM 0 HZ3 LYS A 28 -7.270 -10.896 2.435 1.00 2.85 H new ATOM 498 N VAL A 29 -5.413 -3.226 -0.485 1.00 0.38 N ATOM 499 CA VAL A 29 -5.096 -1.891 -0.881 1.00 0.36 C ATOM 500 C VAL A 29 -4.810 -1.175 0.422 1.00 0.35 C ATOM 501 O VAL A 29 -5.692 -0.966 1.257 1.00 0.43 O ATOM 502 CB VAL A 29 -6.314 -1.344 -1.592 1.00 0.36 C ATOM 503 CG1 VAL A 29 -6.150 0.122 -1.879 1.00 0.69 C ATOM 504 CG2 VAL A 29 -6.693 -2.057 -2.876 1.00 0.52 C ATOM 0 H VAL A 29 -6.167 -3.278 0.200 1.00 0.38 H new ATOM 0 HA VAL A 29 -4.247 -1.789 -1.557 1.00 0.36 H new ATOM 0 HB VAL A 29 -7.132 -1.521 -0.894 1.00 0.36 H new ATOM 0 HG11 VAL A 29 -7.038 0.494 -2.391 1.00 0.69 H new ATOM 0 HG12 VAL A 29 -6.017 0.663 -0.942 1.00 0.69 H new ATOM 0 HG13 VAL A 29 -5.276 0.273 -2.513 1.00 0.69 H new ATOM 0 HG21 VAL A 29 -7.578 -1.587 -3.305 1.00 0.52 H new ATOM 0 HG22 VAL A 29 -5.868 -1.993 -3.585 1.00 0.52 H new ATOM 0 HG23 VAL A 29 -6.906 -3.104 -2.661 1.00 0.52 H new ATOM 514 N TYR A 30 -3.542 -0.871 0.612 1.00 0.47 N ATOM 515 CA TYR A 30 -3.027 -0.138 1.729 1.00 0.49 C ATOM 516 C TYR A 30 -2.857 1.308 1.315 1.00 0.47 C ATOM 517 O TYR A 30 -2.420 1.581 0.201 1.00 0.70 O ATOM 518 CB TYR A 30 -1.703 -0.785 2.119 1.00 0.53 C ATOM 519 CG TYR A 30 -1.767 -1.901 3.129 1.00 0.70 C ATOM 520 CD1 TYR A 30 -2.628 -1.827 4.224 1.00 2.07 C ATOM 521 CD2 TYR A 30 -0.949 -3.027 2.979 1.00 1.85 C ATOM 522 CE1 TYR A 30 -2.762 -2.923 5.082 1.00 2.27 C ATOM 523 CE2 TYR A 30 -0.989 -4.079 3.906 1.00 1.85 C ATOM 524 CZ TYR A 30 -1.947 -4.053 4.936 1.00 1.17 C ATOM 525 OH TYR A 30 -2.047 -5.071 5.832 1.00 1.46 O ATOM 0 H TYR A 30 -2.814 -1.147 -0.047 1.00 0.47 H new ATOM 0 HA TYR A 30 -3.697 -0.158 2.589 1.00 0.49 H new ATOM 0 HB2 TYR A 30 -1.234 -1.171 1.214 1.00 0.53 H new ATOM 0 HB3 TYR A 30 -1.047 -0.008 2.512 1.00 0.53 H new ATOM 0 HD1 TYR A 30 -3.191 -0.924 4.409 1.00 2.07 H new ATOM 0 HD2 TYR A 30 -0.276 -3.087 2.136 1.00 1.85 H new ATOM 0 HE1 TYR A 30 -3.503 -2.898 5.867 1.00 2.27 H new ATOM 0 HE2 TYR A 30 -0.292 -4.900 3.830 1.00 1.85 H new ATOM 0 HH TYR A 30 -2.726 -4.851 6.503 1.00 1.46 H new ATOM 535 N ASP A 31 -3.184 2.213 2.231 1.00 0.35 N ATOM 536 CA ASP A 31 -3.099 3.648 2.084 1.00 0.33 C ATOM 537 C ASP A 31 -2.163 4.154 3.152 1.00 0.36 C ATOM 538 O ASP A 31 -2.479 4.131 4.342 1.00 0.51 O ATOM 539 CB ASP A 31 -4.457 4.312 2.268 1.00 0.42 C ATOM 540 CG ASP A 31 -4.376 5.797 1.944 1.00 0.46 C ATOM 541 OD1 ASP A 31 -3.255 6.267 1.649 1.00 1.57 O ATOM 542 OD2 ASP A 31 -5.454 6.426 1.894 1.00 1.86 O ATOM 0 H ASP A 31 -3.536 1.940 3.149 1.00 0.35 H new ATOM 0 HA ASP A 31 -2.744 3.886 1.081 1.00 0.33 H new ATOM 0 HB2 ASP A 31 -5.193 3.833 1.622 1.00 0.42 H new ATOM 0 HB3 ASP A 31 -4.798 4.176 3.294 1.00 0.42 H new ATOM 547 N LEU A 32 -0.983 4.568 2.722 1.00 0.34 N ATOM 548 CA LEU A 32 0.035 5.039 3.627 1.00 0.42 C ATOM 549 C LEU A 32 0.293 6.509 3.336 1.00 0.34 C ATOM 550 O LEU A 32 1.369 7.013 3.625 1.00 0.39 O ATOM 551 CB LEU A 32 1.292 4.158 3.578 1.00 0.61 C ATOM 552 CG LEU A 32 1.185 2.827 2.821 1.00 0.39 C ATOM 553 CD1 LEU A 32 2.580 2.270 2.581 1.00 0.46 C ATOM 554 CD2 LEU A 32 0.426 1.799 3.651 1.00 0.48 C ATOM 0 H LEU A 32 -0.711 4.585 1.739 1.00 0.34 H new ATOM 0 HA LEU A 32 -0.307 4.959 4.659 1.00 0.42 H new ATOM 0 HB2 LEU A 32 2.095 4.740 3.127 1.00 0.61 H new ATOM 0 HB3 LEU A 32 1.593 3.941 4.603 1.00 0.61 H new ATOM 0 HG LEU A 32 0.664 3.012 1.882 1.00 0.39 H new ATOM 0 HD11 LEU A 32 2.507 1.325 2.043 1.00 0.46 H new ATOM 0 HD12 LEU A 32 3.158 2.980 1.990 1.00 0.46 H new ATOM 0 HD13 LEU A 32 3.076 2.106 3.538 1.00 0.46 H new ATOM 0 HD21 LEU A 32 0.360 0.862 3.098 1.00 0.48 H new ATOM 0 HD22 LEU A 32 0.952 1.630 4.591 1.00 0.48 H new ATOM 0 HD23 LEU A 32 -0.578 2.169 3.859 1.00 0.48 H new ATOM 566 N THR A 33 -0.681 7.234 2.789 1.00 0.30 N ATOM 567 CA THR A 33 -0.512 8.641 2.477 1.00 0.26 C ATOM 568 C THR A 33 -0.136 9.448 3.697 1.00 0.29 C ATOM 569 O THR A 33 0.820 10.217 3.669 1.00 0.41 O ATOM 570 CB THR A 33 -1.808 9.155 1.849 1.00 0.35 C ATOM 571 OG1 THR A 33 -1.497 9.258 0.507 1.00 0.90 O ATOM 572 CG2 THR A 33 -2.276 10.545 2.256 1.00 0.65 C ATOM 0 H THR A 33 -1.601 6.861 2.553 1.00 0.30 H new ATOM 0 HA THR A 33 0.311 8.755 1.772 1.00 0.26 H new ATOM 0 HB THR A 33 -2.605 8.477 2.154 1.00 0.35 H new ATOM 0 HG1 THR A 33 -1.062 10.120 0.337 1.00 0.90 H new ATOM 0 HG21 THR A 33 -3.205 10.783 1.737 1.00 0.65 H new ATOM 0 HG22 THR A 33 -2.445 10.571 3.333 1.00 0.65 H new ATOM 0 HG23 THR A 33 -1.514 11.278 1.990 1.00 0.65 H new ATOM 580 N LYS A 34 -0.877 9.270 4.784 1.00 0.36 N ATOM 581 CA LYS A 34 -0.597 10.034 5.985 1.00 0.47 C ATOM 582 C LYS A 34 0.533 9.379 6.776 1.00 0.42 C ATOM 583 O LYS A 34 0.943 9.899 7.805 1.00 0.51 O ATOM 584 CB LYS A 34 -1.895 10.174 6.783 1.00 0.64 C ATOM 585 CG LYS A 34 -1.968 11.512 7.531 1.00 1.41 C ATOM 586 CD LYS A 34 -1.703 11.335 9.025 1.00 1.36 C ATOM 587 CE LYS A 34 -2.150 12.597 9.762 1.00 2.24 C ATOM 588 NZ LYS A 34 -2.335 12.330 11.204 1.00 2.40 N ATOM 0 H LYS A 34 -1.658 8.618 4.856 1.00 0.36 H new ATOM 0 HA LYS A 34 -0.247 11.037 5.739 1.00 0.47 H new ATOM 0 HB2 LYS A 34 -2.747 10.089 6.108 1.00 0.64 H new ATOM 0 HB3 LYS A 34 -1.972 9.354 7.498 1.00 0.64 H new ATOM 0 HG2 LYS A 34 -1.239 12.205 7.111 1.00 1.41 H new ATOM 0 HG3 LYS A 34 -2.952 11.958 7.386 1.00 1.41 H new ATOM 0 HD2 LYS A 34 -2.243 10.467 9.403 1.00 1.36 H new ATOM 0 HD3 LYS A 34 -0.643 11.152 9.200 1.00 1.36 H new ATOM 0 HE2 LYS A 34 -1.408 13.384 9.626 1.00 2.24 H new ATOM 0 HE3 LYS A 34 -3.083 12.962 9.333 1.00 2.24 H new ATOM 0 HZ1 LYS A 34 -2.639 13.202 11.682 1.00 2.40 H new ATOM 0 HZ2 LYS A 34 -3.060 11.595 11.331 1.00 2.40 H new ATOM 0 HZ3 LYS A 34 -1.437 12.004 11.615 1.00 2.40 H new ATOM 602 N PHE A 35 1.029 8.239 6.294 1.00 0.32 N ATOM 603 CA PHE A 35 2.113 7.486 6.884 1.00 0.32 C ATOM 604 C PHE A 35 3.403 7.692 6.113 1.00 0.28 C ATOM 605 O PHE A 35 4.453 7.248 6.558 1.00 0.30 O ATOM 606 CB PHE A 35 1.754 6.015 6.804 1.00 0.35 C ATOM 607 CG PHE A 35 2.785 5.085 7.404 1.00 0.33 C ATOM 608 CD1 PHE A 35 3.100 5.158 8.771 1.00 1.41 C ATOM 609 CD2 PHE A 35 3.464 4.165 6.586 1.00 1.37 C ATOM 610 CE1 PHE A 35 4.033 4.265 9.326 1.00 1.38 C ATOM 611 CE2 PHE A 35 4.355 3.243 7.145 1.00 1.41 C ATOM 612 CZ PHE A 35 4.650 3.293 8.518 1.00 0.35 C ATOM 0 H PHE A 35 0.664 7.805 5.446 1.00 0.32 H new ATOM 0 HA PHE A 35 2.257 7.819 7.912 1.00 0.32 H new ATOM 0 HB2 PHE A 35 0.802 5.858 7.312 1.00 0.35 H new ATOM 0 HB3 PHE A 35 1.606 5.746 5.758 1.00 0.35 H new ATOM 0 HD1 PHE A 35 2.625 5.900 9.396 1.00 1.41 H new ATOM 0 HD2 PHE A 35 3.297 4.170 5.519 1.00 1.37 H new ATOM 0 HE1 PHE A 35 4.277 4.325 10.376 1.00 1.38 H new ATOM 0 HE2 PHE A 35 4.817 2.492 6.521 1.00 1.41 H new ATOM 0 HZ PHE A 35 5.346 2.589 8.950 1.00 0.35 H new ATOM 622 N LEU A 36 3.337 8.332 4.946 1.00 0.27 N ATOM 623 CA LEU A 36 4.506 8.596 4.132 1.00 0.34 C ATOM 624 C LEU A 36 5.567 9.251 5.003 1.00 0.40 C ATOM 625 O LEU A 36 6.642 8.693 5.180 1.00 0.47 O ATOM 626 CB LEU A 36 4.123 9.459 2.912 1.00 0.42 C ATOM 627 CG LEU A 36 3.614 8.679 1.689 1.00 0.53 C ATOM 628 CD1 LEU A 36 3.409 9.632 0.504 1.00 1.07 C ATOM 629 CD2 LEU A 36 4.565 7.543 1.327 1.00 0.72 C ATOM 0 H LEU A 36 2.466 8.680 4.544 1.00 0.27 H new ATOM 0 HA LEU A 36 4.917 7.667 3.737 1.00 0.34 H new ATOM 0 HB2 LEU A 36 3.353 10.168 3.217 1.00 0.42 H new ATOM 0 HB3 LEU A 36 4.993 10.043 2.613 1.00 0.42 H new ATOM 0 HG LEU A 36 2.653 8.230 1.940 1.00 0.53 H new ATOM 0 HD11 LEU A 36 3.048 9.069 -0.357 1.00 1.07 H new ATOM 0 HD12 LEU A 36 2.677 10.394 0.772 1.00 1.07 H new ATOM 0 HD13 LEU A 36 4.356 10.111 0.254 1.00 1.07 H new ATOM 0 HD21 LEU A 36 4.180 7.009 0.459 1.00 0.72 H new ATOM 0 HD22 LEU A 36 5.548 7.952 1.095 1.00 0.72 H new ATOM 0 HD23 LEU A 36 4.648 6.855 2.169 1.00 0.72 H new ATOM 641 N GLU A 37 5.228 10.366 5.645 1.00 0.52 N ATOM 642 CA GLU A 37 6.126 11.079 6.553 1.00 0.64 C ATOM 643 C GLU A 37 6.077 10.515 7.976 1.00 0.63 C ATOM 644 O GLU A 37 6.324 11.221 8.949 1.00 1.00 O ATOM 645 CB GLU A 37 5.802 12.574 6.519 1.00 0.78 C ATOM 646 CG GLU A 37 6.087 13.146 5.127 1.00 1.29 C ATOM 647 CD GLU A 37 5.978 14.669 5.141 1.00 1.73 C ATOM 648 OE1 GLU A 37 4.827 15.159 5.154 1.00 2.73 O ATOM 649 OE2 GLU A 37 7.043 15.325 5.149 1.00 2.43 O ATOM 0 H GLU A 37 4.313 10.806 5.549 1.00 0.52 H new ATOM 0 HA GLU A 37 7.151 10.934 6.211 1.00 0.64 H new ATOM 0 HB2 GLU A 37 4.755 12.733 6.778 1.00 0.78 H new ATOM 0 HB3 GLU A 37 6.398 13.100 7.265 1.00 0.78 H new ATOM 0 HG2 GLU A 37 7.085 12.850 4.803 1.00 1.29 H new ATOM 0 HG3 GLU A 37 5.382 12.732 4.406 1.00 1.29 H new ATOM 656 N GLU A 38 5.742 9.237 8.112 1.00 0.51 N ATOM 657 CA GLU A 38 5.667 8.532 9.380 1.00 0.54 C ATOM 658 C GLU A 38 6.205 7.097 9.263 1.00 0.51 C ATOM 659 O GLU A 38 6.073 6.325 10.213 1.00 0.72 O ATOM 660 CB GLU A 38 4.218 8.578 9.908 1.00 0.70 C ATOM 661 CG GLU A 38 4.062 9.536 11.098 1.00 1.15 C ATOM 662 CD GLU A 38 3.072 9.003 12.137 1.00 1.32 C ATOM 663 OE1 GLU A 38 1.916 8.715 11.751 1.00 1.64 O ATOM 664 OE2 GLU A 38 3.480 8.903 13.317 1.00 2.68 O ATOM 0 H GLU A 38 5.508 8.646 7.314 1.00 0.51 H new ATOM 0 HA GLU A 38 6.309 9.032 10.105 1.00 0.54 H new ATOM 0 HB2 GLU A 38 3.550 8.889 9.104 1.00 0.70 H new ATOM 0 HB3 GLU A 38 3.911 7.576 10.208 1.00 0.70 H new ATOM 0 HG2 GLU A 38 5.033 9.691 11.568 1.00 1.15 H new ATOM 0 HG3 GLU A 38 3.723 10.508 10.739 1.00 1.15 H new ATOM 671 N HIS A 39 6.827 6.728 8.133 1.00 0.44 N ATOM 672 CA HIS A 39 7.358 5.390 7.918 1.00 0.46 C ATOM 673 C HIS A 39 8.820 5.362 8.347 1.00 0.57 C ATOM 674 O HIS A 39 9.606 6.190 7.889 1.00 0.88 O ATOM 675 CB HIS A 39 7.195 4.966 6.457 1.00 0.54 C ATOM 676 CG HIS A 39 7.844 3.641 6.088 1.00 0.37 C ATOM 677 ND1 HIS A 39 8.861 3.524 5.191 1.00 0.53 N ATOM 678 CD2 HIS A 39 7.522 2.366 6.475 1.00 0.45 C ATOM 679 CE1 HIS A 39 9.153 2.238 5.002 1.00 0.57 C ATOM 680 NE2 HIS A 39 8.334 1.483 5.742 1.00 0.36 N ATOM 0 H HIS A 39 6.972 7.358 7.344 1.00 0.44 H new ATOM 0 HA HIS A 39 6.798 4.675 8.521 1.00 0.46 H new ATOM 0 HB2 HIS A 39 6.131 4.906 6.230 1.00 0.54 H new ATOM 0 HB3 HIS A 39 7.613 5.746 5.821 1.00 0.54 H new ATOM 0 HD1 HIS A 39 9.330 4.305 4.732 1.00 0.53 H new ATOM 0 HD2 HIS A 39 6.780 2.090 7.209 1.00 0.45 H new ATOM 0 HE1 HIS A 39 9.930 1.863 4.352 1.00 0.57 H new ATOM 688 N PRO A 40 9.202 4.420 9.219 1.00 0.61 N ATOM 689 CA PRO A 40 10.574 4.260 9.644 1.00 0.75 C ATOM 690 C PRO A 40 11.392 3.685 8.485 1.00 1.25 C ATOM 691 O PRO A 40 11.388 2.485 8.234 1.00 2.27 O ATOM 692 CB PRO A 40 10.526 3.360 10.877 1.00 0.86 C ATOM 693 CG PRO A 40 9.203 2.610 10.771 1.00 1.17 C ATOM 694 CD PRO A 40 8.344 3.401 9.794 1.00 0.98 C ATOM 0 HA PRO A 40 11.063 5.197 9.911 1.00 0.75 H new ATOM 0 HB2 PRO A 40 11.370 2.670 10.894 1.00 0.86 H new ATOM 0 HB3 PRO A 40 10.574 3.946 11.795 1.00 0.86 H new ATOM 0 HG2 PRO A 40 9.360 1.592 10.415 1.00 1.17 H new ATOM 0 HG3 PRO A 40 8.718 2.536 11.744 1.00 1.17 H new ATOM 0 HD2 PRO A 40 7.941 2.750 9.018 1.00 0.98 H new ATOM 0 HD3 PRO A 40 7.493 3.853 10.304 1.00 0.98 H new ATOM 702 N GLY A 41 12.068 4.560 7.744 1.00 0.78 N ATOM 703 CA GLY A 41 12.957 4.157 6.671 1.00 1.20 C ATOM 704 C GLY A 41 12.966 5.224 5.595 1.00 0.66 C ATOM 705 O GLY A 41 13.923 5.983 5.480 1.00 0.73 O ATOM 0 H GLY A 41 12.011 5.570 7.876 1.00 0.78 H new ATOM 0 HA2 GLY A 41 13.965 4.006 7.057 1.00 1.20 H new ATOM 0 HA3 GLY A 41 12.630 3.205 6.252 1.00 1.20 H new ATOM 709 N GLY A 42 11.902 5.277 4.799 1.00 0.62 N ATOM 710 CA GLY A 42 11.780 6.279 3.753 1.00 0.74 C ATOM 711 C GLY A 42 10.338 6.571 3.396 1.00 0.57 C ATOM 712 O GLY A 42 9.426 5.829 3.712 1.00 0.97 O ATOM 0 H GLY A 42 11.112 4.635 4.861 1.00 0.62 H new ATOM 0 HA2 GLY A 42 12.264 7.200 4.078 1.00 0.74 H new ATOM 0 HA3 GLY A 42 12.309 5.937 2.863 1.00 0.74 H new ATOM 716 N GLU A 43 10.137 7.631 2.642 1.00 0.62 N ATOM 717 CA GLU A 43 8.801 8.007 2.193 1.00 0.46 C ATOM 718 C GLU A 43 8.687 7.874 0.676 1.00 0.46 C ATOM 719 O GLU A 43 7.665 7.441 0.147 1.00 0.41 O ATOM 720 CB GLU A 43 8.498 9.437 2.639 1.00 0.51 C ATOM 721 CG GLU A 43 9.044 9.769 4.038 1.00 2.11 C ATOM 722 CD GLU A 43 10.455 10.357 3.996 1.00 2.86 C ATOM 723 OE1 GLU A 43 10.694 11.238 3.140 1.00 2.88 O ATOM 724 OE2 GLU A 43 11.302 9.865 4.772 1.00 4.42 O ATOM 0 H GLU A 43 10.880 8.253 2.323 1.00 0.62 H new ATOM 0 HA GLU A 43 8.069 7.335 2.641 1.00 0.46 H new ATOM 0 HB2 GLU A 43 8.924 10.133 1.916 1.00 0.51 H new ATOM 0 HB3 GLU A 43 7.419 9.591 2.632 1.00 0.51 H new ATOM 0 HG2 GLU A 43 8.374 10.477 4.527 1.00 2.11 H new ATOM 0 HG3 GLU A 43 9.050 8.864 4.646 1.00 2.11 H new ATOM 731 N GLU A 44 9.760 8.200 -0.042 1.00 0.56 N ATOM 732 CA GLU A 44 9.728 8.128 -1.506 1.00 0.56 C ATOM 733 C GLU A 44 9.709 6.679 -1.946 1.00 0.52 C ATOM 734 O GLU A 44 8.998 6.334 -2.888 1.00 0.44 O ATOM 735 CB GLU A 44 10.945 8.804 -2.129 1.00 0.74 C ATOM 736 CG GLU A 44 10.932 8.736 -3.671 1.00 1.53 C ATOM 737 CD GLU A 44 12.348 8.608 -4.225 1.00 2.07 C ATOM 738 OE1 GLU A 44 12.959 7.547 -3.968 1.00 2.69 O ATOM 739 OE2 GLU A 44 12.793 9.568 -4.892 1.00 3.28 O ATOM 0 H GLU A 44 10.647 8.511 0.354 1.00 0.56 H new ATOM 0 HA GLU A 44 8.829 8.645 -1.840 1.00 0.56 H new ATOM 0 HB2 GLU A 44 10.978 9.847 -1.814 1.00 0.74 H new ATOM 0 HB3 GLU A 44 11.852 8.329 -1.755 1.00 0.74 H new ATOM 0 HG2 GLU A 44 10.332 7.886 -3.996 1.00 1.53 H new ATOM 0 HG3 GLU A 44 10.460 9.632 -4.074 1.00 1.53 H new ATOM 746 N VAL A 45 10.418 5.804 -1.225 1.00 0.63 N ATOM 747 CA VAL A 45 10.349 4.392 -1.556 1.00 0.70 C ATOM 748 C VAL A 45 8.904 3.904 -1.562 1.00 0.63 C ATOM 749 O VAL A 45 8.571 2.939 -2.244 1.00 0.70 O ATOM 750 CB VAL A 45 11.215 3.594 -0.576 1.00 0.87 C ATOM 751 CG1 VAL A 45 12.675 4.039 -0.692 1.00 1.52 C ATOM 752 CG2 VAL A 45 10.748 3.720 0.883 1.00 0.96 C ATOM 0 H VAL A 45 11.022 6.043 -0.439 1.00 0.63 H new ATOM 0 HA VAL A 45 10.739 4.239 -2.562 1.00 0.70 H new ATOM 0 HB VAL A 45 11.115 2.544 -0.851 1.00 0.87 H new ATOM 0 HG11 VAL A 45 13.286 3.468 0.007 1.00 1.52 H new ATOM 0 HG12 VAL A 45 13.029 3.865 -1.708 1.00 1.52 H new ATOM 0 HG13 VAL A 45 12.751 5.101 -0.458 1.00 1.52 H new ATOM 0 HG21 VAL A 45 11.402 3.132 1.527 1.00 0.96 H new ATOM 0 HG22 VAL A 45 10.784 4.766 1.188 1.00 0.96 H new ATOM 0 HG23 VAL A 45 9.726 3.352 0.971 1.00 0.96 H new ATOM 762 N LEU A 46 8.016 4.609 -0.858 1.00 0.60 N ATOM 763 CA LEU A 46 6.628 4.135 -0.852 1.00 0.56 C ATOM 764 C LEU A 46 5.900 4.582 -2.120 1.00 0.47 C ATOM 765 O LEU A 46 5.031 3.879 -2.636 1.00 0.63 O ATOM 766 CB LEU A 46 5.904 4.618 0.400 1.00 0.55 C ATOM 767 CG LEU A 46 6.558 4.190 1.726 1.00 0.55 C ATOM 768 CD1 LEU A 46 5.521 3.966 2.831 1.00 0.83 C ATOM 769 CD2 LEU A 46 7.340 2.884 1.636 1.00 0.73 C ATOM 0 H LEU A 46 8.210 5.453 -0.319 1.00 0.60 H new ATOM 0 HA LEU A 46 6.633 3.045 -0.838 1.00 0.56 H new ATOM 0 HB2 LEU A 46 5.847 5.706 0.373 1.00 0.55 H new ATOM 0 HB3 LEU A 46 4.880 4.244 0.378 1.00 0.55 H new ATOM 0 HG LEU A 46 7.230 5.017 1.953 1.00 0.55 H new ATOM 0 HD11 LEU A 46 6.026 3.665 3.749 1.00 0.83 H new ATOM 0 HD12 LEU A 46 4.970 4.890 3.006 1.00 0.83 H new ATOM 0 HD13 LEU A 46 4.827 3.183 2.526 1.00 0.83 H new ATOM 0 HD21 LEU A 46 7.771 2.650 2.610 1.00 0.73 H new ATOM 0 HD22 LEU A 46 6.671 2.079 1.332 1.00 0.73 H new ATOM 0 HD23 LEU A 46 8.139 2.988 0.902 1.00 0.73 H new ATOM 781 N ARG A 47 6.300 5.724 -2.675 1.00 0.35 N ATOM 782 CA ARG A 47 5.796 6.197 -3.954 1.00 0.37 C ATOM 783 C ARG A 47 6.458 5.452 -5.124 1.00 0.37 C ATOM 784 O ARG A 47 6.097 5.677 -6.273 1.00 0.57 O ATOM 785 CB ARG A 47 6.023 7.708 -4.061 1.00 0.46 C ATOM 786 CG ARG A 47 5.062 8.333 -5.084 1.00 1.10 C ATOM 787 CD ARG A 47 5.622 9.654 -5.622 1.00 1.42 C ATOM 788 NE ARG A 47 5.467 9.737 -7.082 1.00 2.53 N ATOM 789 CZ ARG A 47 6.163 10.561 -7.873 1.00 3.11 C ATOM 790 NH1 ARG A 47 7.014 11.438 -7.341 1.00 3.20 N ATOM 791 NH2 ARG A 47 6.004 10.508 -9.197 1.00 4.29 N ATOM 0 H ARG A 47 6.985 6.346 -2.246 1.00 0.35 H new ATOM 0 HA ARG A 47 4.727 5.993 -4.010 1.00 0.37 H new ATOM 0 HB2 ARG A 47 5.876 8.172 -3.086 1.00 0.46 H new ATOM 0 HB3 ARG A 47 7.054 7.906 -4.356 1.00 0.46 H new ATOM 0 HG2 ARG A 47 4.900 7.639 -5.909 1.00 1.10 H new ATOM 0 HG3 ARG A 47 4.092 8.507 -4.619 1.00 1.10 H new ATOM 0 HD2 ARG A 47 5.107 10.491 -5.150 1.00 1.42 H new ATOM 0 HD3 ARG A 47 6.676 9.740 -5.359 1.00 1.42 H new ATOM 0 HE ARG A 47 4.781 9.124 -7.522 1.00 2.53 H new ATOM 0 HH11 ARG A 47 7.135 11.482 -6.329 1.00 3.20 H new ATOM 0 HH12 ARG A 47 7.544 12.066 -7.946 1.00 3.20 H new ATOM 0 HH21 ARG A 47 5.352 9.839 -9.606 1.00 4.29 H new ATOM 0 HH22 ARG A 47 6.535 11.136 -9.800 1.00 4.29 H new ATOM 805 N GLU A 48 7.415 4.560 -4.873 1.00 0.46 N ATOM 806 CA GLU A 48 8.107 3.856 -5.951 1.00 0.45 C ATOM 807 C GLU A 48 7.239 2.730 -6.511 1.00 0.44 C ATOM 808 O GLU A 48 7.355 2.362 -7.674 1.00 0.51 O ATOM 809 CB GLU A 48 9.440 3.321 -5.410 1.00 0.58 C ATOM 810 CG GLU A 48 10.637 3.847 -6.205 1.00 0.86 C ATOM 811 CD GLU A 48 10.947 3.000 -7.441 1.00 1.37 C ATOM 812 OE1 GLU A 48 11.003 1.757 -7.288 1.00 2.39 O ATOM 813 OE2 GLU A 48 11.158 3.610 -8.513 1.00 2.19 O ATOM 0 H GLU A 48 7.728 4.308 -3.935 1.00 0.46 H new ATOM 0 HA GLU A 48 8.304 4.543 -6.774 1.00 0.45 H new ATOM 0 HB2 GLU A 48 9.547 3.607 -4.364 1.00 0.58 H new ATOM 0 HB3 GLU A 48 9.433 2.232 -5.444 1.00 0.58 H new ATOM 0 HG2 GLU A 48 10.439 4.873 -6.514 1.00 0.86 H new ATOM 0 HG3 GLU A 48 11.514 3.872 -5.558 1.00 0.86 H new ATOM 820 N GLN A 49 6.326 2.209 -5.690 1.00 0.51 N ATOM 821 CA GLN A 49 5.410 1.138 -6.064 1.00 0.63 C ATOM 822 C GLN A 49 3.966 1.570 -5.829 1.00 0.54 C ATOM 823 O GLN A 49 3.047 0.753 -5.885 1.00 0.61 O ATOM 824 CB GLN A 49 5.720 -0.071 -5.198 1.00 0.85 C ATOM 825 CG GLN A 49 7.132 -0.612 -5.405 1.00 0.99 C ATOM 826 CD GLN A 49 7.295 -1.449 -6.670 1.00 1.46 C ATOM 827 OE1 GLN A 49 6.333 -1.909 -7.271 1.00 2.12 O ATOM 828 NE2 GLN A 49 8.532 -1.666 -7.105 1.00 1.52 N ATOM 0 H GLN A 49 6.203 2.528 -4.729 1.00 0.51 H new ATOM 0 HA GLN A 49 5.533 0.899 -7.120 1.00 0.63 H new ATOM 0 HB2 GLN A 49 5.591 0.198 -4.150 1.00 0.85 H new ATOM 0 HB3 GLN A 49 5.000 -0.860 -5.415 1.00 0.85 H new ATOM 0 HG2 GLN A 49 7.829 0.225 -5.443 1.00 0.99 H new ATOM 0 HG3 GLN A 49 7.408 -1.218 -4.542 1.00 0.99 H new ATOM 0 HE21 GLN A 49 9.327 -1.278 -6.597 1.00 1.52 H new ATOM 0 HE22 GLN A 49 8.687 -2.220 -7.947 1.00 1.52 H new ATOM 837 N ALA A 50 3.767 2.850 -5.514 1.00 0.43 N ATOM 838 CA ALA A 50 2.455 3.417 -5.312 1.00 0.40 C ATOM 839 C ALA A 50 1.520 3.050 -6.465 1.00 0.37 C ATOM 840 O ALA A 50 1.937 2.969 -7.617 1.00 0.45 O ATOM 841 CB ALA A 50 2.573 4.933 -5.187 1.00 0.47 C ATOM 0 H ALA A 50 4.527 3.520 -5.393 1.00 0.43 H new ATOM 0 HA ALA A 50 2.031 3.009 -4.394 1.00 0.40 H new ATOM 0 HB1 ALA A 50 1.583 5.364 -5.034 1.00 0.47 H new ATOM 0 HB2 ALA A 50 3.211 5.180 -4.338 1.00 0.47 H new ATOM 0 HB3 ALA A 50 3.009 5.340 -6.099 1.00 0.47 H new ATOM 847 N GLY A 51 0.236 2.868 -6.157 1.00 0.35 N ATOM 848 CA GLY A 51 -0.771 2.427 -7.102 1.00 0.43 C ATOM 849 C GLY A 51 -0.355 1.132 -7.798 1.00 0.50 C ATOM 850 O GLY A 51 -0.772 0.887 -8.928 1.00 0.56 O ATOM 0 H GLY A 51 -0.134 3.029 -5.220 1.00 0.35 H new ATOM 0 HA2 GLY A 51 -1.717 2.275 -6.583 1.00 0.43 H new ATOM 0 HA3 GLY A 51 -0.938 3.205 -7.847 1.00 0.43 H new ATOM 854 N GLY A 52 0.473 0.314 -7.146 1.00 0.56 N ATOM 855 CA GLY A 52 1.060 -0.865 -7.738 1.00 0.70 C ATOM 856 C GLY A 52 1.326 -1.908 -6.663 1.00 0.71 C ATOM 857 O GLY A 52 1.051 -1.700 -5.479 1.00 0.61 O ATOM 0 H GLY A 52 0.752 0.464 -6.177 1.00 0.56 H new ATOM 0 HA2 GLY A 52 0.391 -1.274 -8.495 1.00 0.70 H new ATOM 0 HA3 GLY A 52 1.991 -0.604 -8.242 1.00 0.70 H new ATOM 861 N ASP A 53 1.816 -3.064 -7.098 1.00 0.87 N ATOM 862 CA ASP A 53 2.079 -4.191 -6.223 1.00 0.86 C ATOM 863 C ASP A 53 3.399 -3.981 -5.499 1.00 0.82 C ATOM 864 O ASP A 53 4.460 -4.169 -6.084 1.00 0.95 O ATOM 865 CB ASP A 53 2.100 -5.476 -7.044 1.00 0.96 C ATOM 866 CG ASP A 53 1.866 -6.702 -6.170 1.00 2.10 C ATOM 867 OD1 ASP A 53 0.935 -6.608 -5.340 1.00 3.43 O ATOM 868 OD2 ASP A 53 2.572 -7.714 -6.372 1.00 2.87 O ATOM 0 H ASP A 53 2.042 -3.242 -8.076 1.00 0.87 H new ATOM 0 HA ASP A 53 1.291 -4.272 -5.475 1.00 0.86 H new ATOM 0 HB2 ASP A 53 1.333 -5.427 -7.817 1.00 0.96 H new ATOM 0 HB3 ASP A 53 3.060 -5.568 -7.552 1.00 0.96 H new ATOM 873 N ALA A 54 3.344 -3.567 -4.231 1.00 0.73 N ATOM 874 CA ALA A 54 4.534 -3.417 -3.418 1.00 0.73 C ATOM 875 C ALA A 54 4.749 -4.682 -2.572 1.00 0.80 C ATOM 876 O ALA A 54 5.723 -4.726 -1.840 1.00 0.82 O ATOM 877 CB ALA A 54 4.449 -2.134 -2.547 1.00 0.60 C ATOM 0 H ALA A 54 2.476 -3.330 -3.750 1.00 0.73 H new ATOM 0 HA ALA A 54 5.402 -3.299 -4.067 1.00 0.73 H new ATOM 0 HB1 ALA A 54 5.353 -2.042 -1.945 1.00 0.60 H new ATOM 0 HB2 ALA A 54 4.353 -1.261 -3.193 1.00 0.60 H new ATOM 0 HB3 ALA A 54 3.581 -2.197 -1.891 1.00 0.60 H new ATOM 883 N THR A 55 3.875 -5.699 -2.612 1.00 0.86 N ATOM 884 CA THR A 55 3.970 -6.918 -1.806 1.00 0.93 C ATOM 885 C THR A 55 5.365 -7.516 -1.807 1.00 0.94 C ATOM 886 O THR A 55 5.912 -7.742 -0.733 1.00 0.95 O ATOM 887 CB THR A 55 2.987 -7.972 -2.341 1.00 0.94 C ATOM 888 OG1 THR A 55 1.749 -7.422 -2.714 1.00 1.43 O ATOM 889 CG2 THR A 55 2.669 -9.045 -1.314 1.00 1.36 C ATOM 0 H THR A 55 3.060 -5.692 -3.225 1.00 0.86 H new ATOM 0 HA THR A 55 3.725 -6.636 -0.782 1.00 0.93 H new ATOM 0 HB THR A 55 3.501 -8.394 -3.205 1.00 0.94 H new ATOM 0 HG1 THR A 55 1.738 -7.267 -3.682 1.00 1.43 H new ATOM 0 HG21 THR A 55 1.971 -9.764 -1.743 1.00 1.36 H new ATOM 0 HG22 THR A 55 3.587 -9.558 -1.027 1.00 1.36 H new ATOM 0 HG23 THR A 55 2.221 -8.585 -0.434 1.00 1.36 H new ATOM 897 N GLU A 56 5.934 -7.755 -2.991 1.00 1.07 N ATOM 898 CA GLU A 56 7.297 -8.246 -3.115 1.00 1.12 C ATOM 899 C GLU A 56 8.210 -7.375 -2.281 1.00 1.04 C ATOM 900 O GLU A 56 8.936 -7.906 -1.466 1.00 1.24 O ATOM 901 CB GLU A 56 7.751 -8.210 -4.573 1.00 1.22 C ATOM 902 CG GLU A 56 7.061 -9.299 -5.396 1.00 2.22 C ATOM 903 CD GLU A 56 7.850 -10.608 -5.358 1.00 3.50 C ATOM 904 OE1 GLU A 56 7.842 -11.245 -4.282 1.00 4.81 O ATOM 905 OE2 GLU A 56 8.442 -10.952 -6.406 1.00 3.91 O ATOM 0 H GLU A 56 5.461 -7.613 -3.883 1.00 1.07 H new ATOM 0 HA GLU A 56 7.337 -9.278 -2.765 1.00 1.12 H new ATOM 0 HB2 GLU A 56 7.530 -7.232 -5.001 1.00 1.22 H new ATOM 0 HB3 GLU A 56 8.832 -8.343 -4.623 1.00 1.22 H new ATOM 0 HG2 GLU A 56 6.055 -9.467 -5.011 1.00 2.22 H new ATOM 0 HG3 GLU A 56 6.955 -8.966 -6.428 1.00 2.22 H new ATOM 912 N ASN A 57 8.145 -6.051 -2.415 1.00 0.95 N ATOM 913 CA ASN A 57 8.979 -5.144 -1.650 1.00 0.94 C ATOM 914 C ASN A 57 8.785 -5.391 -0.175 1.00 0.83 C ATOM 915 O ASN A 57 9.751 -5.679 0.509 1.00 0.80 O ATOM 916 CB ASN A 57 8.655 -3.674 -1.940 1.00 1.08 C ATOM 917 CG ASN A 57 8.565 -3.363 -3.420 1.00 2.34 C ATOM 918 OD1 ASN A 57 7.725 -3.897 -4.130 1.00 3.89 O ATOM 919 ND2 ASN A 57 9.409 -2.479 -3.924 1.00 2.31 N ATOM 0 H ASN A 57 7.509 -5.583 -3.060 1.00 0.95 H new ATOM 0 HA ASN A 57 10.011 -5.335 -1.945 1.00 0.94 H new ATOM 0 HB2 ASN A 57 7.709 -3.416 -1.463 1.00 1.08 H new ATOM 0 HB3 ASN A 57 9.422 -3.044 -1.489 1.00 1.08 H new ATOM 0 HD21 ASN A 57 9.363 -2.237 -4.914 1.00 2.31 H new ATOM 0 HD22 ASN A 57 10.106 -2.039 -3.323 1.00 2.31 H new ATOM 926 N PHE A 58 7.555 -5.269 0.323 1.00 0.79 N ATOM 927 CA PHE A 58 7.280 -5.538 1.735 1.00 0.69 C ATOM 928 C PHE A 58 7.937 -6.845 2.222 1.00 0.61 C ATOM 929 O PHE A 58 8.496 -6.898 3.314 1.00 0.56 O ATOM 930 CB PHE A 58 5.763 -5.567 1.943 1.00 0.74 C ATOM 931 CG PHE A 58 5.313 -6.063 3.304 1.00 0.85 C ATOM 932 CD1 PHE A 58 5.250 -7.446 3.553 1.00 2.15 C ATOM 933 CD2 PHE A 58 4.955 -5.155 4.316 1.00 1.40 C ATOM 934 CE1 PHE A 58 4.846 -7.924 4.810 1.00 2.51 C ATOM 935 CE2 PHE A 58 4.516 -5.632 5.565 1.00 1.45 C ATOM 936 CZ PHE A 58 4.469 -7.016 5.813 1.00 1.59 C ATOM 0 H PHE A 58 6.740 -4.989 -0.223 1.00 0.79 H new ATOM 0 HA PHE A 58 7.720 -4.741 2.334 1.00 0.69 H new ATOM 0 HB2 PHE A 58 5.371 -4.561 1.792 1.00 0.74 H new ATOM 0 HB3 PHE A 58 5.318 -6.201 1.176 1.00 0.74 H new ATOM 0 HD1 PHE A 58 5.514 -8.144 2.773 1.00 2.15 H new ATOM 0 HD2 PHE A 58 5.017 -4.092 4.135 1.00 1.40 H new ATOM 0 HE1 PHE A 58 4.825 -8.986 5.005 1.00 2.51 H new ATOM 0 HE2 PHE A 58 4.215 -4.935 6.333 1.00 1.45 H new ATOM 0 HZ PHE A 58 4.143 -7.381 6.776 1.00 1.59 H new ATOM 946 N GLU A 59 7.864 -7.913 1.440 1.00 0.69 N ATOM 947 CA GLU A 59 8.415 -9.200 1.844 1.00 0.73 C ATOM 948 C GLU A 59 9.947 -9.170 1.832 1.00 0.75 C ATOM 949 O GLU A 59 10.581 -9.409 2.856 1.00 0.99 O ATOM 950 CB GLU A 59 7.853 -10.285 0.916 1.00 0.86 C ATOM 951 CG GLU A 59 6.652 -10.992 1.553 1.00 1.12 C ATOM 952 CD GLU A 59 7.080 -12.025 2.599 1.00 1.37 C ATOM 953 OE1 GLU A 59 7.811 -11.632 3.533 1.00 2.43 O ATOM 954 OE2 GLU A 59 6.652 -13.193 2.467 1.00 2.00 O ATOM 0 H GLU A 59 7.427 -7.914 0.518 1.00 0.69 H new ATOM 0 HA GLU A 59 8.121 -9.425 2.869 1.00 0.73 H new ATOM 0 HB2 GLU A 59 7.554 -9.837 -0.032 1.00 0.86 H new ATOM 0 HB3 GLU A 59 8.631 -11.015 0.692 1.00 0.86 H new ATOM 0 HG2 GLU A 59 6.002 -10.252 2.020 1.00 1.12 H new ATOM 0 HG3 GLU A 59 6.068 -11.484 0.776 1.00 1.12 H new ATOM 961 N ASP A 60 10.534 -8.835 0.681 1.00 0.75 N ATOM 962 CA ASP A 60 11.969 -8.745 0.406 1.00 0.79 C ATOM 963 C ASP A 60 12.645 -7.932 1.497 1.00 0.79 C ATOM 964 O ASP A 60 13.706 -8.293 2.000 1.00 0.93 O ATOM 965 CB ASP A 60 12.206 -8.042 -0.947 1.00 0.98 C ATOM 966 CG ASP A 60 13.283 -8.724 -1.786 1.00 1.22 C ATOM 967 OD1 ASP A 60 14.434 -8.794 -1.307 1.00 2.08 O ATOM 968 OD2 ASP A 60 12.948 -9.143 -2.915 1.00 2.13 O ATOM 0 H ASP A 60 9.979 -8.603 -0.142 1.00 0.75 H new ATOM 0 HA ASP A 60 12.383 -9.753 0.374 1.00 0.79 H new ATOM 0 HB2 ASP A 60 11.272 -8.021 -1.509 1.00 0.98 H new ATOM 0 HB3 ASP A 60 12.493 -7.006 -0.768 1.00 0.98 H new ATOM 973 N VAL A 61 11.977 -6.833 1.870 1.00 0.88 N ATOM 974 CA VAL A 61 12.420 -5.891 2.876 1.00 1.23 C ATOM 975 C VAL A 61 12.818 -6.679 4.123 1.00 1.01 C ATOM 976 O VAL A 61 13.892 -6.485 4.690 1.00 1.52 O ATOM 977 CB VAL A 61 11.367 -4.826 3.204 1.00 1.53 C ATOM 978 CG1 VAL A 61 11.726 -4.068 4.500 1.00 1.71 C ATOM 979 CG2 VAL A 61 11.205 -3.831 2.042 1.00 2.68 C ATOM 0 H VAL A 61 11.080 -6.576 1.457 1.00 0.88 H new ATOM 0 HA VAL A 61 13.275 -5.340 2.485 1.00 1.23 H new ATOM 0 HB VAL A 61 10.419 -5.342 3.355 1.00 1.53 H new ATOM 0 HG11 VAL A 61 10.961 -3.319 4.707 1.00 1.71 H new ATOM 0 HG12 VAL A 61 11.779 -4.772 5.330 1.00 1.71 H new ATOM 0 HG13 VAL A 61 12.691 -3.577 4.379 1.00 1.71 H new ATOM 0 HG21 VAL A 61 10.452 -3.087 2.302 1.00 2.68 H new ATOM 0 HG22 VAL A 61 12.156 -3.334 1.854 1.00 2.68 H new ATOM 0 HG23 VAL A 61 10.892 -4.366 1.146 1.00 2.68 H new ATOM 989 N GLY A 62 11.906 -7.555 4.547 1.00 0.69 N ATOM 990 CA GLY A 62 12.064 -8.422 5.693 1.00 1.11 C ATOM 991 C GLY A 62 11.021 -8.140 6.774 1.00 0.79 C ATOM 992 O GLY A 62 11.105 -8.769 7.826 1.00 1.62 O ATOM 0 H GLY A 62 11.008 -7.677 4.078 1.00 0.69 H new ATOM 0 HA2 GLY A 62 11.984 -9.461 5.375 1.00 1.11 H new ATOM 0 HA3 GLY A 62 13.063 -8.292 6.110 1.00 1.11 H new ATOM 996 N HIS A 63 10.093 -7.184 6.550 1.00 0.44 N ATOM 997 CA HIS A 63 9.194 -6.613 7.561 1.00 0.58 C ATOM 998 C HIS A 63 8.659 -7.635 8.562 1.00 1.09 C ATOM 999 O HIS A 63 8.347 -8.772 8.210 1.00 1.81 O ATOM 1000 CB HIS A 63 7.969 -5.922 6.934 1.00 0.60 C ATOM 1001 CG HIS A 63 8.203 -4.613 6.221 1.00 0.51 C ATOM 1002 ND1 HIS A 63 8.496 -4.499 4.895 1.00 0.51 N ATOM 1003 CD2 HIS A 63 8.042 -3.345 6.715 1.00 0.46 C ATOM 1004 CE1 HIS A 63 8.541 -3.201 4.574 1.00 0.46 C ATOM 1005 NE2 HIS A 63 8.270 -2.454 5.654 1.00 0.42 N ATOM 0 H HIS A 63 9.949 -6.778 5.625 1.00 0.44 H new ATOM 0 HA HIS A 63 9.825 -5.893 8.082 1.00 0.58 H new ATOM 0 HB2 HIS A 63 7.516 -6.616 6.226 1.00 0.60 H new ATOM 0 HB3 HIS A 63 7.238 -5.750 7.724 1.00 0.60 H new ATOM 0 HD1 HIS A 63 8.655 -5.275 4.253 1.00 0.51 H new ATOM 0 HD2 HIS A 63 7.787 -3.080 7.731 1.00 0.46 H new ATOM 0 HE1 HIS A 63 8.763 -2.813 3.591 1.00 0.46 H new ATOM 1013 N SER A 64 8.462 -7.178 9.801 1.00 1.06 N ATOM 1014 CA SER A 64 7.905 -7.992 10.864 1.00 1.50 C ATOM 1015 C SER A 64 6.441 -7.626 11.099 1.00 1.13 C ATOM 1016 O SER A 64 5.902 -6.696 10.496 1.00 0.76 O ATOM 1017 CB SER A 64 8.720 -7.783 12.141 1.00 1.97 C ATOM 1018 OG SER A 64 8.349 -8.767 13.088 1.00 3.97 O ATOM 0 H SER A 64 8.689 -6.226 10.088 1.00 1.06 H new ATOM 0 HA SER A 64 7.952 -9.043 10.577 1.00 1.50 H new ATOM 0 HB2 SER A 64 9.786 -7.852 11.923 1.00 1.97 H new ATOM 0 HB3 SER A 64 8.541 -6.786 12.544 1.00 1.97 H new ATOM 0 HG SER A 64 8.868 -8.642 13.910 1.00 3.97 H new ATOM 1024 N THR A 65 5.799 -8.328 12.030 1.00 1.41 N ATOM 1025 CA THR A 65 4.429 -8.080 12.395 1.00 1.29 C ATOM 1026 C THR A 65 4.226 -6.677 12.944 1.00 0.84 C ATOM 1027 O THR A 65 3.178 -6.106 12.691 1.00 0.92 O ATOM 1028 CB THR A 65 3.999 -9.132 13.408 1.00 1.69 C ATOM 1029 OG1 THR A 65 4.052 -10.381 12.758 1.00 2.26 O ATOM 1030 CG2 THR A 65 2.581 -8.868 13.899 1.00 1.81 C ATOM 0 H THR A 65 6.231 -9.091 12.551 1.00 1.41 H new ATOM 0 HA THR A 65 3.809 -8.149 11.501 1.00 1.29 H new ATOM 0 HB THR A 65 4.658 -9.108 14.276 1.00 1.69 H new ATOM 0 HG1 THR A 65 3.782 -11.086 13.382 1.00 2.26 H new ATOM 0 HG21 THR A 65 2.298 -9.633 14.622 1.00 1.81 H new ATOM 0 HG22 THR A 65 2.537 -7.887 14.373 1.00 1.81 H new ATOM 0 HG23 THR A 65 1.893 -8.894 13.054 1.00 1.81 H new ATOM 1038 N ASP A 66 5.211 -6.091 13.629 1.00 0.75 N ATOM 1039 CA ASP A 66 5.136 -4.710 14.127 1.00 0.82 C ATOM 1040 C ASP A 66 4.739 -3.753 13.004 1.00 0.69 C ATOM 1041 O ASP A 66 4.017 -2.775 13.184 1.00 0.98 O ATOM 1042 CB ASP A 66 6.521 -4.306 14.668 1.00 1.33 C ATOM 1043 CG ASP A 66 6.465 -3.829 16.114 1.00 1.70 C ATOM 1044 OD1 ASP A 66 5.669 -2.906 16.382 1.00 2.35 O ATOM 1045 OD2 ASP A 66 7.229 -4.401 16.921 1.00 2.89 O ATOM 0 H ASP A 66 6.088 -6.561 13.856 1.00 0.75 H new ATOM 0 HA ASP A 66 4.384 -4.654 14.914 1.00 0.82 H new ATOM 0 HB2 ASP A 66 7.198 -5.157 14.595 1.00 1.33 H new ATOM 0 HB3 ASP A 66 6.935 -3.515 14.043 1.00 1.33 H new ATOM 1050 N ALA A 67 5.206 -4.076 11.802 1.00 0.53 N ATOM 1051 CA ALA A 67 4.916 -3.332 10.609 1.00 0.44 C ATOM 1052 C ALA A 67 3.562 -3.822 10.084 1.00 0.52 C ATOM 1053 O ALA A 67 2.666 -3.008 9.894 1.00 0.77 O ATOM 1054 CB ALA A 67 6.114 -3.505 9.652 1.00 0.56 C ATOM 0 H ALA A 67 5.809 -4.883 11.640 1.00 0.53 H new ATOM 0 HA ALA A 67 4.809 -2.258 10.758 1.00 0.44 H new ATOM 0 HB1 ALA A 67 5.928 -2.951 8.732 1.00 0.56 H new ATOM 0 HB2 ALA A 67 7.018 -3.124 10.128 1.00 0.56 H new ATOM 0 HB3 ALA A 67 6.244 -4.562 9.419 1.00 0.56 H new ATOM 1060 N ARG A 68 3.348 -5.138 9.931 1.00 0.62 N ATOM 1061 CA ARG A 68 2.096 -5.655 9.375 1.00 0.80 C ATOM 1062 C ARG A 68 0.867 -5.053 10.124 1.00 0.86 C ATOM 1063 O ARG A 68 -0.223 -4.918 9.569 1.00 1.12 O ATOM 1064 CB ARG A 68 2.035 -7.182 9.530 1.00 0.99 C ATOM 1065 CG ARG A 68 0.719 -7.811 9.033 1.00 2.42 C ATOM 1066 CD ARG A 68 -0.245 -8.085 10.199 1.00 4.48 C ATOM 1067 NE ARG A 68 -1.459 -8.781 9.740 1.00 5.39 N ATOM 1068 CZ ARG A 68 -2.504 -9.119 10.508 1.00 6.95 C ATOM 1069 NH1 ARG A 68 -2.510 -8.814 11.806 1.00 8.01 N ATOM 1070 NH2 ARG A 68 -3.544 -9.765 9.974 1.00 7.67 N ATOM 0 H ARG A 68 4.025 -5.858 10.184 1.00 0.62 H new ATOM 0 HA ARG A 68 2.066 -5.375 8.322 1.00 0.80 H new ATOM 0 HB2 ARG A 68 2.867 -7.626 8.983 1.00 0.99 H new ATOM 0 HB3 ARG A 68 2.173 -7.436 10.581 1.00 0.99 H new ATOM 0 HG2 ARG A 68 0.243 -7.144 8.314 1.00 2.42 H new ATOM 0 HG3 ARG A 68 0.934 -8.743 8.509 1.00 2.42 H new ATOM 0 HD2 ARG A 68 0.258 -8.688 10.955 1.00 4.48 H new ATOM 0 HD3 ARG A 68 -0.521 -7.144 10.674 1.00 4.48 H new ATOM 0 HE ARG A 68 -1.509 -9.027 8.751 1.00 5.39 H new ATOM 0 HH11 ARG A 68 -1.717 -8.322 12.218 1.00 8.01 H new ATOM 0 HH12 ARG A 68 -3.307 -9.073 12.387 1.00 8.01 H new ATOM 0 HH21 ARG A 68 -3.543 -10.001 8.982 1.00 7.67 H new ATOM 0 HH22 ARG A 68 -4.339 -10.022 10.559 1.00 7.67 H new ATOM 1084 N GLU A 69 1.013 -4.793 11.432 1.00 0.67 N ATOM 1085 CA GLU A 69 -0.008 -4.281 12.338 1.00 0.74 C ATOM 1086 C GLU A 69 -0.340 -2.837 12.015 1.00 0.74 C ATOM 1087 O GLU A 69 -1.514 -2.502 11.903 1.00 0.87 O ATOM 1088 CB GLU A 69 0.447 -4.334 13.811 1.00 0.87 C ATOM 1089 CG GLU A 69 -0.491 -5.208 14.649 1.00 1.39 C ATOM 1090 CD GLU A 69 -0.581 -4.734 16.101 1.00 1.76 C ATOM 1091 OE1 GLU A 69 0.490 -4.543 16.715 1.00 2.80 O ATOM 1092 OE2 GLU A 69 -1.729 -4.576 16.572 1.00 2.52 O ATOM 0 H GLU A 69 1.903 -4.946 11.907 1.00 0.67 H new ATOM 0 HA GLU A 69 -0.882 -4.919 12.202 1.00 0.74 H new ATOM 0 HB2 GLU A 69 1.462 -4.728 13.867 1.00 0.87 H new ATOM 0 HB3 GLU A 69 0.473 -3.325 14.223 1.00 0.87 H new ATOM 0 HG2 GLU A 69 -1.486 -5.200 14.204 1.00 1.39 H new ATOM 0 HG3 GLU A 69 -0.140 -6.240 14.627 1.00 1.39 H new ATOM 1099 N LEU A 70 0.661 -1.968 11.849 1.00 0.68 N ATOM 1100 CA LEU A 70 0.415 -0.620 11.389 1.00 0.79 C ATOM 1101 C LEU A 70 -0.339 -0.688 10.083 1.00 0.74 C ATOM 1102 O LEU A 70 -1.264 0.086 9.860 1.00 0.82 O ATOM 1103 CB LEU A 70 1.752 0.068 11.150 1.00 0.86 C ATOM 1104 CG LEU A 70 2.370 0.549 12.451 1.00 0.85 C ATOM 1105 CD1 LEU A 70 3.903 0.467 12.434 1.00 2.29 C ATOM 1106 CD2 LEU A 70 1.901 1.977 12.687 1.00 1.17 C ATOM 0 H LEU A 70 1.642 -2.183 12.028 1.00 0.68 H new ATOM 0 HA LEU A 70 -0.163 -0.067 12.130 1.00 0.79 H new ATOM 0 HB2 LEU A 70 2.435 -0.623 10.655 1.00 0.86 H new ATOM 0 HB3 LEU A 70 1.612 0.914 10.478 1.00 0.86 H new ATOM 0 HG LEU A 70 2.047 -0.100 13.265 1.00 0.85 H new ATOM 0 HD11 LEU A 70 4.297 0.822 13.386 1.00 2.29 H new ATOM 0 HD12 LEU A 70 4.210 -0.567 12.277 1.00 2.29 H new ATOM 0 HD13 LEU A 70 4.292 1.088 11.627 1.00 2.29 H new ATOM 0 HD21 LEU A 70 2.329 2.352 13.617 1.00 1.17 H new ATOM 0 HD22 LEU A 70 2.224 2.608 11.859 1.00 1.17 H new ATOM 0 HD23 LEU A 70 0.813 1.996 12.755 1.00 1.17 H new ATOM 1118 N SER A 71 0.005 -1.652 9.230 1.00 0.68 N ATOM 1119 CA SER A 71 -0.759 -1.807 8.019 1.00 0.80 C ATOM 1120 C SER A 71 -2.252 -1.957 8.249 1.00 0.76 C ATOM 1121 O SER A 71 -3.071 -1.479 7.476 1.00 0.84 O ATOM 1122 CB SER A 71 -0.254 -2.971 7.200 1.00 0.88 C ATOM 1123 OG SER A 71 1.066 -3.321 7.530 1.00 1.72 O ATOM 0 H SER A 71 0.777 -2.307 9.356 1.00 0.68 H new ATOM 0 HA SER A 71 -0.614 -0.877 7.470 1.00 0.80 H new ATOM 0 HB2 SER A 71 -0.905 -3.831 7.355 1.00 0.88 H new ATOM 0 HB3 SER A 71 -0.307 -2.718 6.141 1.00 0.88 H new ATOM 0 HG SER A 71 1.406 -3.967 6.876 1.00 1.72 H new ATOM 1129 N LYS A 72 -2.644 -2.598 9.337 1.00 0.69 N ATOM 1130 CA LYS A 72 -4.042 -2.791 9.664 1.00 0.72 C ATOM 1131 C LYS A 72 -4.801 -1.460 9.780 1.00 0.70 C ATOM 1132 O LYS A 72 -5.998 -1.419 9.507 1.00 0.82 O ATOM 1133 CB LYS A 72 -4.076 -3.562 10.978 1.00 0.85 C ATOM 1134 CG LYS A 72 -5.398 -4.287 11.211 1.00 1.11 C ATOM 1135 CD LYS A 72 -6.037 -3.842 12.530 1.00 2.86 C ATOM 1136 CE LYS A 72 -6.713 -5.044 13.182 1.00 3.34 C ATOM 1137 NZ LYS A 72 -7.521 -4.633 14.346 1.00 4.89 N ATOM 0 H LYS A 72 -1.999 -2.999 10.018 1.00 0.69 H new ATOM 0 HA LYS A 72 -4.543 -3.342 8.869 1.00 0.72 H new ATOM 0 HB2 LYS A 72 -3.263 -4.288 10.988 1.00 0.85 H new ATOM 0 HB3 LYS A 72 -3.896 -2.872 11.802 1.00 0.85 H new ATOM 0 HG2 LYS A 72 -6.080 -4.084 10.385 1.00 1.11 H new ATOM 0 HG3 LYS A 72 -5.229 -5.364 11.228 1.00 1.11 H new ATOM 0 HD2 LYS A 72 -5.279 -3.429 13.196 1.00 2.86 H new ATOM 0 HD3 LYS A 72 -6.766 -3.052 12.348 1.00 2.86 H new ATOM 0 HE2 LYS A 72 -7.349 -5.547 12.453 1.00 3.34 H new ATOM 0 HE3 LYS A 72 -5.957 -5.764 13.496 1.00 3.34 H new ATOM 0 HZ1 LYS A 72 -7.969 -5.470 14.770 1.00 4.89 H new ATOM 0 HZ2 LYS A 72 -6.908 -4.175 15.050 1.00 4.89 H new ATOM 0 HZ3 LYS A 72 -8.256 -3.964 14.040 1.00 4.89 H new ATOM 1151 N THR A 73 -4.124 -0.367 10.154 1.00 0.66 N ATOM 1152 CA THR A 73 -4.715 0.972 10.217 1.00 0.67 C ATOM 1153 C THR A 73 -4.552 1.757 8.905 1.00 0.65 C ATOM 1154 O THR A 73 -4.941 2.920 8.828 1.00 0.76 O ATOM 1155 CB THR A 73 -4.184 1.740 11.438 1.00 0.74 C ATOM 1156 OG1 THR A 73 -4.960 2.901 11.624 1.00 1.50 O ATOM 1157 CG2 THR A 73 -2.719 2.147 11.333 1.00 1.15 C ATOM 0 H THR A 73 -3.141 -0.390 10.424 1.00 0.66 H new ATOM 0 HA THR A 73 -5.791 0.851 10.345 1.00 0.67 H new ATOM 0 HB THR A 73 -4.259 1.056 12.283 1.00 0.74 H new ATOM 0 HG1 THR A 73 -5.253 3.242 10.753 1.00 1.50 H new ATOM 0 HG21 THR A 73 -2.425 2.684 12.235 1.00 1.15 H new ATOM 0 HG22 THR A 73 -2.101 1.256 11.223 1.00 1.15 H new ATOM 0 HG23 THR A 73 -2.582 2.793 10.466 1.00 1.15 H new ATOM 1165 N PHE A 74 -3.968 1.131 7.890 1.00 0.59 N ATOM 1166 CA PHE A 74 -3.667 1.674 6.577 1.00 0.53 C ATOM 1167 C PHE A 74 -4.563 1.035 5.528 1.00 0.53 C ATOM 1168 O PHE A 74 -4.819 1.649 4.503 1.00 0.60 O ATOM 1169 CB PHE A 74 -2.186 1.418 6.249 1.00 0.55 C ATOM 1170 CG PHE A 74 -1.177 2.034 7.182 1.00 0.55 C ATOM 1171 CD1 PHE A 74 -1.542 3.089 8.036 1.00 1.83 C ATOM 1172 CD2 PHE A 74 0.150 1.573 7.174 1.00 1.57 C ATOM 1173 CE1 PHE A 74 -0.613 3.623 8.933 1.00 1.86 C ATOM 1174 CE2 PHE A 74 1.099 2.182 7.994 1.00 1.61 C ATOM 1175 CZ PHE A 74 0.698 3.148 8.917 1.00 0.73 C ATOM 0 H PHE A 74 -3.672 0.158 7.973 1.00 0.59 H new ATOM 0 HA PHE A 74 -3.853 2.748 6.576 1.00 0.53 H new ATOM 0 HB2 PHE A 74 -2.021 0.341 6.231 1.00 0.55 H new ATOM 0 HB3 PHE A 74 -1.990 1.787 5.242 1.00 0.55 H new ATOM 0 HD1 PHE A 74 -2.545 3.489 7.999 1.00 1.83 H new ATOM 0 HD2 PHE A 74 0.434 0.750 6.535 1.00 1.57 H new ATOM 0 HE1 PHE A 74 -0.907 4.394 9.630 1.00 1.86 H new ATOM 0 HE2 PHE A 74 2.140 1.907 7.915 1.00 1.61 H new ATOM 0 HZ PHE A 74 1.413 3.533 9.629 1.00 0.73 H new ATOM 1185 N ILE A 75 -5.049 -0.193 5.727 1.00 0.52 N ATOM 1186 CA ILE A 75 -5.916 -0.827 4.748 1.00 0.49 C ATOM 1187 C ILE A 75 -7.154 0.051 4.583 1.00 0.48 C ATOM 1188 O ILE A 75 -7.769 0.480 5.563 1.00 0.61 O ATOM 1189 CB ILE A 75 -6.206 -2.287 5.174 1.00 0.52 C ATOM 1190 CG1 ILE A 75 -5.755 -3.279 4.089 1.00 0.70 C ATOM 1191 CG2 ILE A 75 -7.678 -2.550 5.508 1.00 0.71 C ATOM 1192 CD1 ILE A 75 -5.450 -4.670 4.668 1.00 0.96 C ATOM 0 H ILE A 75 -4.855 -0.759 6.553 1.00 0.52 H new ATOM 0 HA ILE A 75 -5.447 -0.907 3.767 1.00 0.49 H new ATOM 0 HB ILE A 75 -5.631 -2.438 6.088 1.00 0.52 H new ATOM 0 HG12 ILE A 75 -6.533 -3.365 3.331 1.00 0.70 H new ATOM 0 HG13 ILE A 75 -4.866 -2.891 3.591 1.00 0.70 H new ATOM 0 HG21 ILE A 75 -7.805 -3.593 5.798 1.00 0.71 H new ATOM 0 HG22 ILE A 75 -7.985 -1.905 6.331 1.00 0.71 H new ATOM 0 HG23 ILE A 75 -8.293 -2.339 4.633 1.00 0.71 H new ATOM 0 HD11 ILE A 75 -5.135 -5.337 3.865 1.00 0.96 H new ATOM 0 HD12 ILE A 75 -4.653 -4.590 5.407 1.00 0.96 H new ATOM 0 HD13 ILE A 75 -6.346 -5.071 5.143 1.00 0.96 H new ATOM 1204 N ILE A 76 -7.515 0.293 3.328 1.00 0.41 N ATOM 1205 CA ILE A 76 -8.698 1.048 2.957 1.00 0.42 C ATOM 1206 C ILE A 76 -9.640 0.177 2.125 1.00 0.45 C ATOM 1207 O ILE A 76 -10.708 0.627 1.718 1.00 0.57 O ATOM 1208 CB ILE A 76 -8.291 2.359 2.261 1.00 0.41 C ATOM 1209 CG1 ILE A 76 -7.383 2.146 1.037 1.00 0.39 C ATOM 1210 CG2 ILE A 76 -7.564 3.284 3.228 1.00 0.45 C ATOM 1211 CD1 ILE A 76 -8.224 1.769 -0.154 1.00 0.76 C ATOM 0 H ILE A 76 -6.980 -0.039 2.526 1.00 0.41 H new ATOM 0 HA ILE A 76 -9.256 1.334 3.849 1.00 0.42 H new ATOM 0 HB ILE A 76 -9.226 2.805 1.921 1.00 0.41 H new ATOM 0 HG12 ILE A 76 -6.821 3.056 0.825 1.00 0.39 H new ATOM 0 HG13 ILE A 76 -6.654 1.362 1.244 1.00 0.39 H new ATOM 0 HG21 ILE A 76 -7.287 4.204 2.713 1.00 0.45 H new ATOM 0 HG22 ILE A 76 -8.219 3.521 4.066 1.00 0.45 H new ATOM 0 HG23 ILE A 76 -6.665 2.790 3.598 1.00 0.45 H new ATOM 0 HD11 ILE A 76 -7.580 1.618 -1.021 1.00 0.76 H new ATOM 0 HD12 ILE A 76 -8.766 0.848 0.060 1.00 0.76 H new ATOM 0 HD13 ILE A 76 -8.935 2.568 -0.365 1.00 0.76 H new ATOM 1223 N GLY A 77 -9.273 -1.083 1.878 1.00 0.47 N ATOM 1224 CA GLY A 77 -10.101 -2.008 1.134 1.00 0.59 C ATOM 1225 C GLY A 77 -9.234 -3.089 0.510 1.00 0.40 C ATOM 1226 O GLY A 77 -8.050 -3.194 0.827 1.00 0.41 O ATOM 0 H GLY A 77 -8.389 -1.482 2.193 1.00 0.47 H new ATOM 0 HA2 GLY A 77 -10.842 -2.459 1.794 1.00 0.59 H new ATOM 0 HA3 GLY A 77 -10.649 -1.475 0.357 1.00 0.59 H new ATOM 1230 N GLU A 78 -9.813 -3.905 -0.366 1.00 0.50 N ATOM 1231 CA GLU A 78 -9.081 -4.915 -1.107 1.00 0.43 C ATOM 1232 C GLU A 78 -9.363 -4.688 -2.575 1.00 0.50 C ATOM 1233 O GLU A 78 -10.515 -4.518 -2.956 1.00 0.87 O ATOM 1234 CB GLU A 78 -9.501 -6.314 -0.642 1.00 0.47 C ATOM 1235 CG GLU A 78 -8.841 -7.458 -1.431 1.00 2.13 C ATOM 1236 CD GLU A 78 -9.776 -8.373 -2.244 1.00 2.97 C ATOM 1237 OE1 GLU A 78 -10.975 -8.470 -1.890 1.00 3.27 O ATOM 1238 OE2 GLU A 78 -9.243 -9.106 -3.111 1.00 4.14 O ATOM 0 H GLU A 78 -10.810 -3.880 -0.580 1.00 0.50 H new ATOM 0 HA GLU A 78 -8.008 -4.841 -0.933 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.254 -6.424 0.414 1.00 0.47 H new ATOM 0 HB3 GLU A 78 -10.584 -6.405 -0.727 1.00 0.47 H new ATOM 0 HG2 GLU A 78 -8.113 -7.022 -2.115 1.00 2.13 H new ATOM 0 HG3 GLU A 78 -8.286 -8.079 -0.728 1.00 2.13 H new ATOM 1245 N LEU A 79 -8.320 -4.608 -3.397 1.00 0.96 N ATOM 1246 CA LEU A 79 -8.531 -4.416 -4.816 1.00 1.19 C ATOM 1247 C LEU A 79 -9.294 -5.607 -5.356 1.00 0.82 C ATOM 1248 O LEU A 79 -9.104 -6.715 -4.870 1.00 1.21 O ATOM 1249 CB LEU A 79 -7.216 -4.202 -5.563 1.00 2.09 C ATOM 1250 CG LEU A 79 -6.436 -5.437 -6.032 1.00 0.67 C ATOM 1251 CD1 LEU A 79 -5.201 -4.940 -6.771 1.00 1.71 C ATOM 1252 CD2 LEU A 79 -5.955 -6.301 -4.856 1.00 1.65 C ATOM 0 H LEU A 79 -7.344 -4.672 -3.108 1.00 0.96 H new ATOM 0 HA LEU A 79 -9.116 -3.510 -4.973 1.00 1.19 H new ATOM 0 HB2 LEU A 79 -7.428 -3.590 -6.440 1.00 2.09 H new ATOM 0 HB3 LEU A 79 -6.559 -3.619 -4.918 1.00 2.09 H new ATOM 0 HG LEU A 79 -7.092 -6.044 -6.656 1.00 0.67 H new ATOM 0 HD11 LEU A 79 -4.619 -5.792 -7.121 1.00 1.71 H new ATOM 0 HD12 LEU A 79 -5.507 -4.334 -7.624 1.00 1.71 H new ATOM 0 HD13 LEU A 79 -4.592 -4.337 -6.098 1.00 1.71 H new ATOM 0 HD21 LEU A 79 -5.408 -7.163 -5.238 1.00 1.65 H new ATOM 0 HD22 LEU A 79 -5.300 -5.711 -4.215 1.00 1.65 H new ATOM 0 HD23 LEU A 79 -6.815 -6.643 -4.280 1.00 1.65 H new ATOM 1264 N HIS A 80 -10.133 -5.393 -6.364 1.00 0.56 N ATOM 1265 CA HIS A 80 -10.925 -6.462 -6.930 1.00 0.78 C ATOM 1266 C HIS A 80 -10.025 -7.634 -7.295 1.00 1.51 C ATOM 1267 O HIS A 80 -8.893 -7.445 -7.742 1.00 1.85 O ATOM 1268 CB HIS A 80 -11.648 -5.978 -8.189 1.00 0.72 C ATOM 1269 CG HIS A 80 -12.970 -5.316 -7.921 1.00 0.91 C ATOM 1270 ND1 HIS A 80 -14.168 -5.648 -8.514 1.00 1.60 N ATOM 1271 CD2 HIS A 80 -13.203 -4.284 -7.059 1.00 0.96 C ATOM 1272 CE1 HIS A 80 -15.103 -4.819 -8.021 1.00 1.67 C ATOM 1273 NE2 HIS A 80 -14.559 -3.968 -7.144 1.00 1.22 N ATOM 0 H HIS A 80 -10.277 -4.483 -6.802 1.00 0.56 H new ATOM 0 HA HIS A 80 -11.660 -6.777 -6.190 1.00 0.78 H new ATOM 0 HB2 HIS A 80 -11.003 -5.276 -8.718 1.00 0.72 H new ATOM 0 HB3 HIS A 80 -11.807 -6.828 -8.853 1.00 0.72 H new ATOM 0 HD2 HIS A 80 -12.472 -3.801 -6.427 1.00 0.96 H new ATOM 0 HE1 HIS A 80 -16.148 -4.837 -8.294 1.00 1.67 H new ATOM 0 HE2 HIS A 80 -15.043 -3.229 -6.635 1.00 1.22 H new ATOM 1281 N PRO A 81 -10.563 -8.856 -7.230 1.00 2.13 N ATOM 1282 CA PRO A 81 -9.786 -10.025 -7.537 1.00 2.92 C ATOM 1283 C PRO A 81 -9.414 -10.067 -9.017 1.00 3.11 C ATOM 1284 O PRO A 81 -8.569 -10.873 -9.385 1.00 3.97 O ATOM 1285 CB PRO A 81 -10.623 -11.214 -7.072 1.00 3.59 C ATOM 1286 CG PRO A 81 -12.062 -10.700 -7.000 1.00 3.36 C ATOM 1287 CD PRO A 81 -11.953 -9.175 -6.977 1.00 2.42 C ATOM 0 HA PRO A 81 -8.824 -10.033 -7.024 1.00 2.92 H new ATOM 0 HB2 PRO A 81 -10.539 -12.049 -7.768 1.00 3.59 H new ATOM 0 HB3 PRO A 81 -10.286 -11.574 -6.100 1.00 3.59 H new ATOM 0 HG2 PRO A 81 -12.643 -11.039 -7.858 1.00 3.36 H new ATOM 0 HG3 PRO A 81 -12.566 -11.070 -6.108 1.00 3.36 H new ATOM 0 HD2 PRO A 81 -12.597 -8.729 -7.735 1.00 2.42 H new ATOM 0 HD3 PRO A 81 -12.273 -8.778 -6.013 1.00 2.42 H new ATOM 1295 N ASP A 82 -9.996 -9.199 -9.850 1.00 2.65 N ATOM 1296 CA ASP A 82 -9.726 -9.113 -11.276 1.00 2.89 C ATOM 1297 C ASP A 82 -8.232 -9.169 -11.570 1.00 2.85 C ATOM 1298 O ASP A 82 -7.800 -10.000 -12.361 1.00 2.90 O ATOM 1299 CB ASP A 82 -10.328 -7.826 -11.838 1.00 3.21 C ATOM 1300 CG ASP A 82 -10.303 -7.893 -13.359 1.00 4.32 C ATOM 1301 OD1 ASP A 82 -11.112 -8.698 -13.885 1.00 4.19 O ATOM 1302 OD2 ASP A 82 -9.481 -7.163 -13.952 1.00 5.78 O ATOM 0 H ASP A 82 -10.688 -8.519 -9.534 1.00 2.65 H new ATOM 0 HA ASP A 82 -10.188 -9.973 -11.760 1.00 2.89 H new ATOM 0 HB2 ASP A 82 -11.351 -7.702 -11.483 1.00 3.21 H new ATOM 0 HB3 ASP A 82 -9.763 -6.962 -11.489 1.00 3.21 H new ATOM 1307 N ASP A 83 -7.443 -8.355 -10.864 1.00 2.83 N ATOM 1308 CA ASP A 83 -5.995 -8.297 -11.044 1.00 2.95 C ATOM 1309 C ASP A 83 -5.314 -8.593 -9.719 1.00 3.10 C ATOM 1310 O ASP A 83 -4.493 -7.839 -9.205 1.00 3.55 O ATOM 1311 CB ASP A 83 -5.585 -6.944 -11.636 1.00 3.39 C ATOM 1312 CG ASP A 83 -4.297 -6.962 -12.457 1.00 4.82 C ATOM 1313 OD1 ASP A 83 -3.738 -8.059 -12.659 1.00 5.51 O ATOM 1314 OD2 ASP A 83 -3.897 -5.856 -12.889 1.00 5.69 O ATOM 0 H ASP A 83 -7.794 -7.717 -10.150 1.00 2.83 H new ATOM 0 HA ASP A 83 -5.672 -9.056 -11.757 1.00 2.95 H new ATOM 0 HB2 ASP A 83 -6.396 -6.580 -12.267 1.00 3.39 H new ATOM 0 HB3 ASP A 83 -5.469 -6.228 -10.822 1.00 3.39 H new ATOM 1319 N ARG A 84 -5.728 -9.709 -9.125 1.00 3.07 N ATOM 1320 CA ARG A 84 -5.145 -10.184 -7.877 1.00 3.39 C ATOM 1321 C ARG A 84 -5.235 -11.700 -7.713 1.00 3.29 C ATOM 1322 O ARG A 84 -4.324 -12.313 -7.159 1.00 3.69 O ATOM 1323 CB ARG A 84 -5.844 -9.443 -6.733 1.00 4.02 C ATOM 1324 CG ARG A 84 -5.423 -9.952 -5.360 1.00 4.37 C ATOM 1325 CD ARG A 84 -6.210 -11.199 -4.917 1.00 4.39 C ATOM 1326 NE ARG A 84 -5.311 -12.322 -4.579 1.00 5.09 N ATOM 1327 CZ ARG A 84 -5.596 -13.364 -3.790 1.00 5.60 C ATOM 1328 NH1 ARG A 84 -6.802 -13.462 -3.229 1.00 5.75 N ATOM 1329 NH2 ARG A 84 -4.691 -14.326 -3.597 1.00 6.44 N ATOM 0 H ARG A 84 -6.471 -10.304 -9.492 1.00 3.07 H new ATOM 0 HA ARG A 84 -4.076 -9.971 -7.874 1.00 3.39 H new ATOM 0 HB2 ARG A 84 -5.622 -8.378 -6.805 1.00 4.02 H new ATOM 0 HB3 ARG A 84 -6.923 -9.551 -6.841 1.00 4.02 H new ATOM 0 HG2 ARG A 84 -4.359 -10.187 -5.376 1.00 4.37 H new ATOM 0 HG3 ARG A 84 -5.564 -9.159 -4.625 1.00 4.37 H new ATOM 0 HD2 ARG A 84 -6.825 -10.952 -4.052 1.00 4.39 H new ATOM 0 HD3 ARG A 84 -6.888 -11.503 -5.714 1.00 4.39 H new ATOM 0 HE ARG A 84 -4.377 -12.300 -4.989 1.00 5.09 H new ATOM 0 HH11 ARG A 84 -7.505 -12.743 -3.402 1.00 5.75 H new ATOM 0 HH12 ARG A 84 -7.021 -14.256 -2.627 1.00 5.75 H new ATOM 0 HH21 ARG A 84 -3.780 -14.268 -4.052 1.00 6.44 H new ATOM 0 HH22 ARG A 84 -4.911 -15.120 -2.995 1.00 6.44 H new ATOM 1343 N SER A 85 -6.339 -12.310 -8.145 1.00 3.10 N ATOM 1344 CA SER A 85 -6.577 -13.747 -7.994 1.00 3.57 C ATOM 1345 C SER A 85 -7.303 -14.333 -9.192 1.00 3.55 C ATOM 1346 O SER A 85 -6.942 -15.406 -9.667 1.00 3.96 O ATOM 1347 CB SER A 85 -7.394 -14.024 -6.728 1.00 4.43 C ATOM 1348 OG SER A 85 -7.446 -15.397 -6.410 1.00 4.95 O ATOM 0 H SER A 85 -7.100 -11.817 -8.613 1.00 3.10 H new ATOM 0 HA SER A 85 -5.600 -14.224 -7.918 1.00 3.57 H new ATOM 0 HB2 SER A 85 -6.959 -13.477 -5.892 1.00 4.43 H new ATOM 0 HB3 SER A 85 -8.408 -13.647 -6.864 1.00 4.43 H new ATOM 0 HG SER A 85 -7.976 -15.524 -5.595 1.00 4.95 H new ATOM 1354 N LYS A 86 -8.329 -13.628 -9.663 1.00 3.64 N ATOM 1355 CA LYS A 86 -9.156 -13.947 -10.818 1.00 4.40 C ATOM 1356 C LYS A 86 -8.401 -13.731 -12.132 1.00 4.99 C ATOM 1357 O LYS A 86 -8.884 -13.033 -13.023 1.00 5.67 O ATOM 1358 CB LYS A 86 -10.444 -13.102 -10.777 1.00 4.70 C ATOM 1359 CG LYS A 86 -11.596 -13.939 -11.328 1.00 5.55 C ATOM 1360 CD LYS A 86 -12.773 -13.086 -11.820 1.00 6.58 C ATOM 1361 CE LYS A 86 -12.815 -13.075 -13.354 1.00 6.92 C ATOM 1362 NZ LYS A 86 -12.161 -11.882 -13.949 1.00 7.58 N ATOM 0 H LYS A 86 -8.622 -12.760 -9.215 1.00 3.64 H new ATOM 0 HA LYS A 86 -9.418 -15.004 -10.773 1.00 4.40 H new ATOM 0 HB2 LYS A 86 -10.659 -12.790 -9.755 1.00 4.70 H new ATOM 0 HB3 LYS A 86 -10.320 -12.195 -11.368 1.00 4.70 H new ATOM 0 HG2 LYS A 86 -11.231 -14.554 -12.151 1.00 5.55 H new ATOM 0 HG3 LYS A 86 -11.947 -14.620 -10.553 1.00 5.55 H new ATOM 0 HD2 LYS A 86 -13.709 -13.483 -11.426 1.00 6.58 H new ATOM 0 HD3 LYS A 86 -12.675 -12.067 -11.444 1.00 6.58 H new ATOM 0 HE2 LYS A 86 -12.328 -13.974 -13.731 1.00 6.92 H new ATOM 0 HE3 LYS A 86 -13.854 -13.114 -13.683 1.00 6.92 H new ATOM 0 HZ1 LYS A 86 -12.223 -11.933 -14.986 1.00 7.58 H new ATOM 0 HZ2 LYS A 86 -12.640 -11.021 -13.616 1.00 7.58 H new ATOM 0 HZ3 LYS A 86 -11.162 -11.855 -13.662 1.00 7.58 H new ATOM 1376 N LEU A 87 -7.225 -14.342 -12.261 1.00 5.43 N ATOM 1377 CA LEU A 87 -6.335 -14.200 -13.395 1.00 6.61 C ATOM 1378 C LEU A 87 -6.164 -15.586 -13.997 1.00 7.66 C ATOM 1379 O LEU A 87 -6.569 -16.577 -13.394 1.00 8.20 O ATOM 1380 CB LEU A 87 -4.979 -13.655 -12.926 1.00 6.74 C ATOM 1381 CG LEU A 87 -5.095 -12.290 -12.223 1.00 6.02 C ATOM 1382 CD1 LEU A 87 -4.153 -12.216 -11.017 1.00 5.69 C ATOM 1383 CD2 LEU A 87 -4.818 -11.138 -13.193 1.00 6.74 C ATOM 0 H LEU A 87 -6.859 -14.972 -11.547 1.00 5.43 H new ATOM 0 HA LEU A 87 -6.740 -13.505 -14.131 1.00 6.61 H new ATOM 0 HB2 LEU A 87 -4.521 -14.372 -12.245 1.00 6.74 H new ATOM 0 HB3 LEU A 87 -4.314 -13.561 -13.784 1.00 6.74 H new ATOM 0 HG LEU A 87 -6.120 -12.189 -11.867 1.00 6.02 H new ATOM 0 HD11 LEU A 87 -4.253 -11.243 -10.537 1.00 5.69 H new ATOM 0 HD12 LEU A 87 -4.411 -13.000 -10.305 1.00 5.69 H new ATOM 0 HD13 LEU A 87 -3.124 -12.353 -11.350 1.00 5.69 H new ATOM 0 HD21 LEU A 87 -4.908 -10.188 -12.665 1.00 6.74 H new ATOM 0 HD22 LEU A 87 -3.810 -11.236 -13.595 1.00 6.74 H new ATOM 0 HD23 LEU A 87 -5.539 -11.169 -14.010 1.00 6.74 H new ATOM 1395 N SER A 88 -5.549 -15.665 -15.174 1.00 8.34 N ATOM 1396 CA SER A 88 -5.304 -16.945 -15.821 1.00 9.43 C ATOM 1397 C SER A 88 -4.390 -17.801 -14.950 1.00 10.23 C ATOM 1398 O SER A 88 -3.387 -17.290 -14.457 1.00 10.28 O ATOM 1399 CB SER A 88 -4.635 -16.699 -17.169 1.00 9.66 C ATOM 1400 OG SER A 88 -5.490 -15.938 -17.995 1.00 10.02 O ATOM 0 H SER A 88 -5.212 -14.856 -15.697 1.00 8.34 H new ATOM 0 HA SER A 88 -6.250 -17.467 -15.964 1.00 9.43 H new ATOM 0 HB2 SER A 88 -3.690 -16.174 -17.026 1.00 9.66 H new ATOM 0 HB3 SER A 88 -4.402 -17.650 -17.649 1.00 9.66 H new ATOM 0 HG SER A 88 -5.055 -15.781 -18.859 1.00 10.02 H new ATOM 1406 N LYS A 89 -4.732 -19.087 -14.799 1.00 11.45 N ATOM 1407 CA LYS A 89 -4.116 -20.083 -13.918 1.00 12.84 C ATOM 1408 C LYS A 89 -5.149 -21.123 -13.469 1.00 14.01 C ATOM 1409 O LYS A 89 -4.838 -22.309 -13.501 1.00 15.25 O ATOM 1410 CB LYS A 89 -3.358 -19.442 -12.730 1.00 13.30 C ATOM 1411 CG LYS A 89 -3.044 -20.422 -11.591 1.00 14.81 C ATOM 1412 CD LYS A 89 -4.189 -20.523 -10.572 1.00 15.25 C ATOM 1413 CE LYS A 89 -3.918 -19.722 -9.298 1.00 16.30 C ATOM 1414 NZ LYS A 89 -3.784 -20.612 -8.127 1.00 17.86 N ATOM 0 H LYS A 89 -5.505 -19.487 -15.331 1.00 11.45 H new ATOM 0 HA LYS A 89 -3.354 -20.606 -14.496 1.00 12.84 H new ATOM 0 HB2 LYS A 89 -2.425 -19.014 -13.096 1.00 13.30 H new ATOM 0 HB3 LYS A 89 -3.953 -18.619 -12.334 1.00 13.30 H new ATOM 0 HG2 LYS A 89 -2.845 -21.409 -12.009 1.00 14.81 H new ATOM 0 HG3 LYS A 89 -2.135 -20.103 -11.081 1.00 14.81 H new ATOM 0 HD2 LYS A 89 -5.111 -20.166 -11.031 1.00 15.25 H new ATOM 0 HD3 LYS A 89 -4.347 -21.570 -10.312 1.00 15.25 H new ATOM 0 HE2 LYS A 89 -3.006 -19.137 -9.420 1.00 16.30 H new ATOM 0 HE3 LYS A 89 -4.730 -19.015 -9.130 1.00 16.30 H new ATOM 0 HZ1 LYS A 89 -3.601 -20.042 -7.277 1.00 17.86 H new ATOM 0 HZ2 LYS A 89 -4.664 -21.152 -7.999 1.00 17.86 H new ATOM 0 HZ3 LYS A 89 -2.993 -21.270 -8.280 1.00 17.86 H new ATOM 1428 N PRO A 90 -6.338 -20.719 -12.989 1.00 14.00 N ATOM 1429 CA PRO A 90 -7.334 -21.653 -12.510 1.00 15.46 C ATOM 1430 C PRO A 90 -8.054 -22.281 -13.698 1.00 16.10 C ATOM 1431 O PRO A 90 -7.665 -22.090 -14.848 1.00 15.75 O ATOM 1432 CB PRO A 90 -8.271 -20.843 -11.607 1.00 15.52 C ATOM 1433 CG PRO A 90 -8.082 -19.385 -12.023 1.00 14.04 C ATOM 1434 CD PRO A 90 -6.803 -19.352 -12.853 1.00 13.00 C ATOM 0 HA PRO A 90 -6.905 -22.480 -11.944 1.00 15.46 H new ATOM 0 HB2 PRO A 90 -9.307 -21.156 -11.735 1.00 15.52 H new ATOM 0 HB3 PRO A 90 -8.023 -20.986 -10.555 1.00 15.52 H new ATOM 0 HG2 PRO A 90 -8.934 -19.030 -12.603 1.00 14.04 H new ATOM 0 HG3 PRO A 90 -7.999 -18.737 -11.150 1.00 14.04 H new ATOM 0 HD2 PRO A 90 -6.992 -18.912 -13.832 1.00 13.00 H new ATOM 0 HD3 PRO A 90 -6.046 -18.736 -12.367 1.00 13.00 H new ATOM 1442 N MET A 91 -9.112 -23.036 -13.411 1.00 17.29 N ATOM 1443 CA MET A 91 -9.898 -23.699 -14.427 1.00 18.17 C ATOM 1444 C MET A 91 -11.334 -23.756 -13.920 1.00 18.99 C ATOM 1445 O MET A 91 -11.709 -24.703 -13.233 1.00 19.84 O ATOM 1446 CB MET A 91 -9.307 -25.091 -14.683 1.00 19.48 C ATOM 1447 CG MET A 91 -9.823 -25.618 -16.017 1.00 20.02 C ATOM 1448 SD MET A 91 -8.963 -24.884 -17.434 1.00 20.41 S ATOM 1449 CE MET A 91 -10.215 -25.124 -18.714 1.00 20.87 C ATOM 0 H MET A 91 -9.443 -23.200 -12.460 1.00 17.29 H new ATOM 0 HA MET A 91 -9.884 -23.167 -15.378 1.00 18.17 H new ATOM 0 HB2 MET A 91 -8.218 -25.040 -14.695 1.00 19.48 H new ATOM 0 HB3 MET A 91 -9.585 -25.771 -13.878 1.00 19.48 H new ATOM 0 HG2 MET A 91 -9.705 -26.701 -16.046 1.00 20.02 H new ATOM 0 HG3 MET A 91 -10.890 -25.411 -16.097 1.00 20.02 H new ATOM 0 HE1 MET A 91 -9.849 -24.726 -19.660 1.00 20.87 H new ATOM 0 HE2 MET A 91 -10.424 -26.188 -18.824 1.00 20.87 H new ATOM 0 HE3 MET A 91 -11.129 -24.602 -18.431 1.00 20.87 H new ATOM 1459 N GLU A 92 -12.111 -22.701 -14.174 1.00 18.94 N ATOM 1460 CA GLU A 92 -13.518 -22.662 -13.793 1.00 19.93 C ATOM 1461 C GLU A 92 -14.240 -23.917 -14.279 1.00 21.27 C ATOM 1462 O GLU A 92 -13.945 -24.437 -15.355 1.00 21.18 O ATOM 1463 CB GLU A 92 -14.175 -21.396 -14.359 1.00 19.07 C ATOM 1464 CG GLU A 92 -14.228 -21.404 -15.895 1.00 18.93 C ATOM 1465 CD GLU A 92 -14.251 -19.987 -16.467 1.00 18.70 C ATOM 1466 OE1 GLU A 92 -15.037 -19.164 -15.947 1.00 18.79 O ATOM 1467 OE2 GLU A 92 -13.453 -19.736 -17.397 1.00 18.67 O ATOM 0 H GLU A 92 -11.783 -21.858 -14.646 1.00 18.94 H new ATOM 0 HA GLU A 92 -13.591 -22.635 -12.706 1.00 19.93 H new ATOM 0 HB2 GLU A 92 -15.187 -21.306 -13.963 1.00 19.07 H new ATOM 0 HB3 GLU A 92 -13.621 -20.520 -14.021 1.00 19.07 H new ATOM 0 HG2 GLU A 92 -13.364 -21.940 -16.286 1.00 18.93 H new ATOM 0 HG3 GLU A 92 -15.115 -21.944 -16.226 1.00 18.93 H new ATOM 1474 N THR A 93 -15.188 -24.412 -13.490 1.00 22.66 N ATOM 1475 CA THR A 93 -15.945 -25.579 -13.878 1.00 24.08 C ATOM 1476 C THR A 93 -17.234 -25.608 -13.075 1.00 25.29 C ATOM 1477 O THR A 93 -17.232 -25.237 -11.899 1.00 25.64 O ATOM 1478 CB THR A 93 -15.086 -26.841 -13.660 1.00 25.27 C ATOM 1479 OG1 THR A 93 -15.766 -27.978 -14.154 1.00 26.01 O ATOM 1480 CG2 THR A 93 -14.673 -27.097 -12.201 1.00 26.51 C ATOM 0 H THR A 93 -15.444 -24.020 -12.584 1.00 22.66 H new ATOM 0 HA THR A 93 -16.207 -25.546 -14.936 1.00 24.08 H new ATOM 0 HB THR A 93 -14.163 -26.658 -14.210 1.00 25.27 H new ATOM 0 HG1 THR A 93 -15.214 -28.776 -14.014 1.00 26.01 H new ATOM 0 HG21 THR A 93 -14.072 -28.005 -12.147 1.00 26.51 H new ATOM 0 HG22 THR A 93 -14.089 -26.253 -11.835 1.00 26.51 H new ATOM 0 HG23 THR A 93 -15.565 -27.215 -11.586 1.00 26.51 H new ATOM 1488 N LEU A 94 -18.283 -26.155 -13.695 1.00 26.16 N ATOM 1489 CA LEU A 94 -19.606 -26.304 -13.108 1.00 27.52 C ATOM 1490 C LEU A 94 -20.223 -24.939 -12.785 1.00 27.40 C ATOM 1491 O LEU A 94 -21.317 -24.947 -12.184 1.00 28.31 O ATOM 1492 CB LEU A 94 -19.513 -27.274 -11.912 1.00 29.16 C ATOM 1493 CG LEU A 94 -20.610 -28.350 -11.903 1.00 30.68 C ATOM 1494 CD1 LEU A 94 -20.012 -29.681 -11.429 1.00 32.02 C ATOM 1495 CD2 LEU A 94 -21.785 -27.943 -11.015 1.00 31.52 C ATOM 1496 OXT LEU A 94 -19.637 -23.923 -13.218 1.00 26.54 O ATOM 0 H LEU A 94 -18.227 -26.515 -14.648 1.00 26.16 H new ATOM 0 HA LEU A 94 -20.300 -26.750 -13.821 1.00 27.52 H new ATOM 0 HB2 LEU A 94 -18.538 -27.762 -11.926 1.00 29.16 H new ATOM 0 HB3 LEU A 94 -19.570 -26.702 -10.986 1.00 29.16 H new ATOM 0 HG LEU A 94 -20.994 -28.464 -12.917 1.00 30.68 H new ATOM 0 HD11 LEU A 94 -20.788 -30.446 -11.422 1.00 32.02 H new ATOM 0 HD12 LEU A 94 -19.212 -29.982 -12.105 1.00 32.02 H new ATOM 0 HD13 LEU A 94 -19.610 -29.562 -10.423 1.00 32.02 H new ATOM 0 HD21 LEU A 94 -22.542 -28.727 -11.032 1.00 31.52 H new ATOM 0 HD22 LEU A 94 -21.435 -27.798 -9.993 1.00 31.52 H new ATOM 0 HD23 LEU A 94 -22.217 -27.013 -11.386 1.00 31.52 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.262 -0.481 5.738 1.00 0.36 FE HETATM 1510 CHA HEM A 95 11.096 -0.793 7.600 1.00 0.69 C HETATM 1511 CHB HEM A 95 6.323 -0.277 8.548 1.00 0.29 C HETATM 1512 CHC HEM A 95 5.473 -0.572 3.720 1.00 0.36 C HETATM 1513 CHD HEM A 95 10.235 -0.356 2.811 1.00 0.51 C HETATM 1514 NA HEM A 95 8.635 -0.537 7.718 1.00 0.43 N HETATM 1515 C1A HEM A 95 9.866 -0.718 8.255 1.00 0.57 C HETATM 1516 C2A HEM A 95 9.707 -0.812 9.687 1.00 0.60 C HETATM 1517 C3A HEM A 95 8.369 -0.613 9.965 1.00 0.50 C HETATM 1518 C4A HEM A 95 7.698 -0.440 8.698 1.00 0.38 C HETATM 1519 CMA HEM A 95 7.693 -0.600 11.321 1.00 0.53 C HETATM 1520 CAA HEM A 95 10.832 -1.073 10.669 1.00 0.70 C HETATM 1521 CBA HEM A 95 11.964 -0.025 10.629 1.00 1.87 C HETATM 1522 CGA HEM A 95 13.384 -0.576 10.455 1.00 2.53 C HETATM 1523 O1A HEM A 95 13.553 -1.814 10.457 1.00 2.58 O HETATM 1524 O2A HEM A 95 14.291 0.271 10.311 1.00 3.93 O HETATM 1525 NB HEM A 95 6.284 -0.425 6.067 1.00 0.28 N HETATM 1526 C1B HEM A 95 5.704 -0.322 7.300 1.00 0.27 C HETATM 1527 C2B HEM A 95 4.278 -0.299 7.111 1.00 0.32 C HETATM 1528 C3B HEM A 95 4.062 -0.443 5.763 1.00 0.36 C HETATM 1529 C4B HEM A 95 5.329 -0.484 5.095 1.00 0.32 C HETATM 1530 CMB HEM A 95 3.282 -0.289 8.224 1.00 0.34 C HETATM 1531 CAB HEM A 95 2.735 -0.568 5.048 1.00 0.48 C HETATM 1532 CBB HEM A 95 1.840 -1.487 5.427 1.00 0.71 C HETATM 1533 NC HEM A 95 7.915 -0.448 3.640 1.00 0.38 N HETATM 1534 C1C HEM A 95 6.686 -0.534 3.079 1.00 0.37 C HETATM 1535 C2C HEM A 95 6.831 -0.611 1.647 1.00 0.44 C HETATM 1536 C3C HEM A 95 8.172 -0.456 1.394 1.00 0.47 C HETATM 1537 C4C HEM A 95 8.864 -0.409 2.658 1.00 0.44 C HETATM 1538 CMC HEM A 95 5.707 -0.922 0.692 1.00 0.53 C HETATM 1539 CAC HEM A 95 8.855 -0.396 0.039 1.00 0.53 C HETATM 1540 CBC HEM A 95 8.302 0.175 -1.052 1.00 0.68 C HETATM 1541 ND HEM A 95 10.298 -0.529 5.286 1.00 0.52 N HETATM 1542 C1D HEM A 95 10.853 -0.421 4.048 1.00 0.55 C HETATM 1543 C2D HEM A 95 12.279 -0.359 4.209 1.00 0.66 C HETATM 1544 C3D HEM A 95 12.547 -0.518 5.554 1.00 0.74 C HETATM 1545 C4D HEM A 95 11.268 -0.636 6.225 1.00 0.65 C HETATM 1546 CMD HEM A 95 13.239 -0.149 3.063 1.00 0.77 C HETATM 1547 CAD HEM A 95 13.885 -0.367 6.251 1.00 0.82 C HETATM 1548 CBD HEM A 95 15.089 -1.059 5.594 1.00 1.84 C HETATM 1549 CGD HEM A 95 16.171 -0.067 5.160 1.00 2.71 C HETATM 1550 O1D HEM A 95 16.542 0.784 5.998 1.00 3.27 O HETATM 1551 O2D HEM A 95 16.622 -0.181 4.000 1.00 4.05 O HETATM 0 HMA1 HEM A 95 8.245 -1.240 12.009 1.00 0.53 H new HETATM 0 HMA2 HEM A 95 6.672 -0.969 11.222 1.00 0.53 H new HETATM 0 HMA3 HEM A 95 7.675 0.419 11.709 1.00 0.53 H new HETATM 0 HMB1 HEM A 95 3.694 -0.813 9.086 1.00 0.34 H new HETATM 0 HMB2 HEM A 95 2.369 -0.787 7.899 1.00 0.34 H new HETATM 0 HMB3 HEM A 95 3.055 0.741 8.500 1.00 0.34 H new HETATM 0 HMC1 HEM A 95 4.979 -1.566 1.185 1.00 0.53 H new HETATM 0 HMC2 HEM A 95 6.106 -1.430 -0.186 1.00 0.53 H new HETATM 0 HMC3 HEM A 95 5.223 0.005 0.386 1.00 0.53 H new HETATM 0 HMD1 HEM A 95 14.125 0.374 3.422 1.00 0.77 H new HETATM 0 HMD2 HEM A 95 12.756 0.446 2.288 1.00 0.77 H new HETATM 0 HMD3 HEM A 95 13.530 -1.115 2.650 1.00 0.77 H new HETATM 0 HBB1 HEM A 95 0.887 -1.568 4.904 1.00 0.71 H new HETATM 0 HBB2 HEM A 95 2.064 -2.155 6.259 1.00 0.71 H new HETATM 0 HBC1 HEM A 95 8.846 0.185 -1.997 1.00 0.68 H new HETATM 0 HBC2 HEM A 95 7.312 0.626 -0.988 1.00 0.68 H new HETATM 0 HBA1 HEM A 95 11.930 0.553 11.553 1.00 1.87 H new HETATM 0 HBA2 HEM A 95 11.762 0.668 9.812 1.00 1.87 H new HETATM 0 HAA1 HEM A 95 11.256 -2.057 10.466 1.00 0.70 H new HETATM 0 HAA2 HEM A 95 10.419 -1.106 11.677 1.00 0.70 H new HETATM 0 HBD1 HEM A 95 14.750 -1.624 4.726 1.00 1.84 H new HETATM 0 HBD2 HEM A 95 15.518 -1.776 6.294 1.00 1.84 H new HETATM 0 HAD1 HEM A 95 13.785 -0.751 7.266 1.00 0.82 H new HETATM 0 HAD2 HEM A 95 14.107 0.697 6.333 1.00 0.82 H new HETATM 0 HHA HEM A 95 11.974 -0.986 8.198 1.00 0.69 H new HETATM 0 HHB HEM A 95 5.717 -0.110 9.426 1.00 0.29 H new HETATM 0 HHC HEM A 95 4.582 -0.676 3.119 1.00 0.36 H new HETATM 0 HHD HEM A 95 10.851 -0.260 1.929 1.00 0.51 H new HETATM 0 HAB HEM A 95 2.506 0.097 4.216 1.00 0.48 H new HETATM 0 HAC HEM A 95 9.846 -0.838 -0.058 1.00 0.53 H new