USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 763 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 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 78:sc= -0.235! USER MOD Set 1.2: A 96 HEM CMB :methyl 150:sc= -0.55 (180deg=-0.55) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.31 K(o=-0.086,f=-1.2!) USER MOD Set 2.2: A 20 SER OG : rot 34:sc= 0.77 USER MOD Set 2.3: A 33 THR OG1 : rot -30:sc= 0.456 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 1.13 (180deg=1.13) 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 111:sc= 1.27 USER MOD Single : A 7 TYR OH : rot 110:sc= 0.00993 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 59:sc= 0.352 USER MOD Single : A 26 HIS : no HD1:sc= 1.04 K(o=1,f=-4.2!) USER MOD Single : A 27 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.01) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0393 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.4) USER MOD Single : A 55 THR OG1 : rot 171:sc= 0.592 USER MOD Single : A 57 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) 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 74 TYR OH : rot -117:sc= 1.26 USER MOD Single : A 80 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-3.6) USER MOD Single : A 85 SER OG : rot -54:sc= 1.09 USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0293) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 5:sc= 0.682 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HEM CMA :methyl 150:sc= -0.997 (180deg=-0.997) USER MOD Single : A 96 HEM CMC :methyl 150:sc= -5.68! (180deg=-5.68!) USER MOD Single : A 96 HEM CMD :methyl -30:sc= -0.488 (180deg=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 8.108 -10.482 -13.297 1.00 0.00 N ATOM 2 CA ASP A 1 7.194 -11.167 -12.376 1.00 0.00 C ATOM 3 C ASP A 1 6.054 -11.642 -13.256 1.00 0.00 C ATOM 4 O ASP A 1 5.507 -10.803 -13.966 1.00 0.00 O ATOM 5 CB ASP A 1 6.715 -10.199 -11.280 1.00 0.00 C ATOM 6 CG ASP A 1 7.845 -9.462 -10.568 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.973 -9.524 -11.112 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.537 -8.780 -9.570 1.00 0.00 O ATOM 0 H1 ASP A 1 8.928 -10.121 -12.768 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.433 -11.150 -14.025 1.00 0.00 H new ATOM 0 H3 ASP A 1 7.613 -9.689 -13.752 1.00 0.00 H new ATOM 0 HA ASP A 1 7.662 -11.999 -11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.041 -9.467 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.138 -10.757 -10.543 1.00 0.00 H new ATOM 15 N LYS A 2 5.822 -12.956 -13.361 1.00 0.00 N ATOM 16 CA LYS A 2 4.885 -13.465 -14.355 1.00 0.00 C ATOM 17 C LYS A 2 3.489 -12.865 -14.157 1.00 0.00 C ATOM 18 O LYS A 2 3.116 -12.479 -13.048 1.00 0.00 O ATOM 19 CB LYS A 2 4.845 -15.003 -14.376 1.00 0.00 C ATOM 20 CG LYS A 2 5.974 -15.621 -15.220 1.00 0.00 C ATOM 21 CD LYS A 2 5.695 -17.117 -15.472 1.00 0.00 C ATOM 22 CE LYS A 2 5.811 -17.483 -16.963 1.00 0.00 C ATOM 23 NZ LYS A 2 5.182 -18.787 -17.266 1.00 0.00 N ATOM 0 H LYS A 2 6.263 -13.669 -12.780 1.00 0.00 H new ATOM 0 HA LYS A 2 5.246 -13.147 -15.333 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.916 -15.377 -13.355 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.883 -15.331 -14.770 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.057 -15.094 -16.171 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.928 -15.503 -14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.398 -17.719 -14.895 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.695 -17.364 -15.115 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.340 -16.705 -17.564 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.863 -17.513 -17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.283 -18.994 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.648 -19.534 -16.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.172 -18.751 -17.019 1.00 0.00 H new ATOM 37 N ASP A 3 2.748 -12.792 -15.264 1.00 0.00 N ATOM 38 CA ASP A 3 1.419 -12.222 -15.363 1.00 0.00 C ATOM 39 C ASP A 3 1.495 -10.726 -15.046 1.00 0.00 C ATOM 40 O ASP A 3 2.355 -10.034 -15.588 1.00 0.00 O ATOM 41 CB ASP A 3 0.419 -13.029 -14.515 1.00 0.00 C ATOM 42 CG ASP A 3 0.527 -14.535 -14.751 1.00 0.00 C ATOM 43 OD1 ASP A 3 0.829 -14.924 -15.902 1.00 0.00 O ATOM 44 OD2 ASP A 3 0.332 -15.275 -13.765 1.00 0.00 O ATOM 0 H ASP A 3 3.084 -13.150 -16.158 1.00 0.00 H new ATOM 0 HA ASP A 3 1.029 -12.295 -16.378 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.590 -12.818 -13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.595 -12.701 -14.746 1.00 0.00 H new ATOM 49 N VAL A 4 0.603 -10.218 -14.192 1.00 0.00 N ATOM 50 CA VAL A 4 0.648 -8.837 -13.731 1.00 0.00 C ATOM 51 C VAL A 4 1.677 -8.753 -12.596 1.00 0.00 C ATOM 52 O VAL A 4 2.874 -8.659 -12.853 1.00 0.00 O ATOM 53 CB VAL A 4 -0.777 -8.351 -13.380 1.00 0.00 C ATOM 54 CG1 VAL A 4 -0.803 -6.907 -12.844 1.00 0.00 C ATOM 55 CG2 VAL A 4 -1.685 -8.425 -14.616 1.00 0.00 C ATOM 0 H VAL A 4 -0.170 -10.757 -13.803 1.00 0.00 H new ATOM 0 HA VAL A 4 0.984 -8.147 -14.505 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.138 -9.013 -12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.830 -6.622 -12.615 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.199 -6.844 -11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.399 -6.232 -13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.685 -8.080 -14.354 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.278 -7.793 -15.405 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.737 -9.455 -14.968 1.00 0.00 H new ATOM 65 N LYS A 5 1.190 -8.774 -11.355 1.00 0.00 N ATOM 66 CA LYS A 5 1.917 -8.777 -10.088 1.00 0.00 C ATOM 67 C LYS A 5 0.908 -9.152 -8.994 1.00 0.00 C ATOM 68 O LYS A 5 0.800 -8.520 -7.949 1.00 0.00 O ATOM 69 CB LYS A 5 2.677 -7.454 -9.880 1.00 0.00 C ATOM 70 CG LYS A 5 4.097 -7.441 -10.476 1.00 0.00 C ATOM 71 CD LYS A 5 4.286 -6.292 -11.480 1.00 0.00 C ATOM 72 CE LYS A 5 5.494 -6.545 -12.387 1.00 0.00 C ATOM 73 NZ LYS A 5 5.718 -5.414 -13.312 1.00 0.00 N ATOM 0 H LYS A 5 0.182 -8.791 -11.198 1.00 0.00 H new ATOM 0 HA LYS A 5 2.714 -9.520 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.101 -6.643 -10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.742 -7.249 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.827 -7.345 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.292 -8.392 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.387 -6.184 -12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.421 -5.354 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.384 -6.700 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.337 -7.460 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.543 -5.615 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.877 -5.283 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.892 -4.547 -12.765 1.00 0.00 H new ATOM 87 N TYR A 6 0.113 -10.190 -9.254 1.00 0.00 N ATOM 88 CA TYR A 6 -0.837 -10.668 -8.264 1.00 0.00 C ATOM 89 C TYR A 6 -0.081 -11.236 -7.058 1.00 0.00 C ATOM 90 O TYR A 6 0.781 -12.092 -7.240 1.00 0.00 O ATOM 91 CB TYR A 6 -1.791 -11.693 -8.884 1.00 0.00 C ATOM 92 CG TYR A 6 -3.017 -11.065 -9.515 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.101 -10.711 -8.695 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.074 -10.802 -10.896 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.291 -10.228 -9.261 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.231 -10.223 -11.450 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.347 -9.959 -10.636 1.00 0.00 C ATOM 98 OH TYR A 6 -6.437 -9.331 -11.152 1.00 0.00 O ATOM 0 H TYR A 6 0.111 -10.707 -10.133 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.450 -9.837 -7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.255 -12.267 -9.640 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.107 -12.397 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.018 -10.811 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.233 -11.044 -11.529 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.160 -10.064 -8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.262 -9.981 -12.502 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.189 -8.428 -11.439 1.00 0.00 H new ATOM 108 N TYR A 7 -0.393 -10.763 -5.846 1.00 0.00 N ATOM 109 CA TYR A 7 0.251 -11.202 -4.614 1.00 0.00 C ATOM 110 C TYR A 7 -0.794 -11.600 -3.569 1.00 0.00 C ATOM 111 O TYR A 7 -1.894 -11.046 -3.534 1.00 0.00 O ATOM 112 CB TYR A 7 1.172 -10.091 -4.094 1.00 0.00 C ATOM 113 CG TYR A 7 2.398 -9.842 -4.952 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.387 -10.838 -5.031 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.602 -8.604 -5.591 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.577 -10.596 -5.732 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.782 -8.375 -6.326 1.00 0.00 C ATOM 118 CZ TYR A 7 4.775 -9.372 -6.388 1.00 0.00 C ATOM 119 OH TYR A 7 5.985 -9.136 -6.968 1.00 0.00 O ATOM 0 H TYR A 7 -1.111 -10.054 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 7 0.856 -12.085 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.600 -9.166 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.495 -10.346 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.230 -11.792 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.853 -7.829 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.344 -11.355 -5.767 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.925 -7.437 -6.841 1.00 0.00 H new ATOM 0 HH TYR A 7 5.887 -9.143 -7.943 1.00 0.00 H new ATOM 129 N THR A 8 -0.457 -12.586 -2.735 1.00 0.00 N ATOM 130 CA THR A 8 -1.315 -13.141 -1.698 1.00 0.00 C ATOM 131 C THR A 8 -1.082 -12.388 -0.390 1.00 0.00 C ATOM 132 O THR A 8 -0.031 -11.773 -0.203 1.00 0.00 O ATOM 133 CB THR A 8 -0.935 -14.621 -1.525 1.00 0.00 C ATOM 134 OG1 THR A 8 0.458 -14.690 -1.302 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.268 -15.462 -2.764 1.00 0.00 C ATOM 0 H THR A 8 0.459 -13.034 -2.769 1.00 0.00 H new ATOM 0 HA THR A 8 -2.366 -13.047 -1.971 1.00 0.00 H new ATOM 0 HB THR A 8 -1.508 -15.022 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.725 -15.626 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.980 -16.498 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.339 -15.412 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.722 -15.074 -3.624 1.00 0.00 H new ATOM 143 N LEU A 9 -2.044 -12.454 0.537 1.00 0.00 N ATOM 144 CA LEU A 9 -1.938 -11.770 1.811 1.00 0.00 C ATOM 145 C LEU A 9 -0.643 -12.148 2.518 1.00 0.00 C ATOM 146 O LEU A 9 0.134 -11.256 2.826 1.00 0.00 O ATOM 147 CB LEU A 9 -3.150 -12.051 2.703 1.00 0.00 C ATOM 148 CG LEU A 9 -4.505 -11.565 2.167 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.459 -10.137 1.609 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.103 -12.521 1.134 1.00 0.00 C ATOM 0 H LEU A 9 -2.909 -12.982 0.418 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.921 -10.699 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.212 -13.126 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.978 -11.587 3.674 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.162 -11.552 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.448 -9.856 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.151 -9.449 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.745 -10.090 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.060 -12.130 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.422 -12.615 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.254 -13.500 1.589 1.00 0.00 H new ATOM 162 N GLU A 10 -0.383 -13.441 2.750 1.00 0.00 N ATOM 163 CA GLU A 10 0.853 -13.880 3.393 1.00 0.00 C ATOM 164 C GLU A 10 2.091 -13.240 2.755 1.00 0.00 C ATOM 165 O GLU A 10 2.964 -12.747 3.470 1.00 0.00 O ATOM 166 CB GLU A 10 0.996 -15.409 3.354 1.00 0.00 C ATOM 167 CG GLU A 10 0.449 -16.100 4.611 1.00 0.00 C ATOM 168 CD GLU A 10 1.215 -17.394 4.874 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.445 -17.281 5.111 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.568 -18.459 4.811 1.00 0.00 O ATOM 0 H GLU A 10 -1.017 -14.200 2.500 1.00 0.00 H new ATOM 0 HA GLU A 10 0.789 -13.554 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.473 -15.794 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.049 -15.666 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.539 -15.434 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.612 -16.316 4.484 1.00 0.00 H new ATOM 177 N GLU A 11 2.173 -13.265 1.422 1.00 0.00 N ATOM 178 CA GLU A 11 3.316 -12.705 0.720 1.00 0.00 C ATOM 179 C GLU A 11 3.415 -11.212 1.041 1.00 0.00 C ATOM 180 O GLU A 11 4.442 -10.719 1.501 1.00 0.00 O ATOM 181 CB GLU A 11 3.179 -12.971 -0.786 1.00 0.00 C ATOM 182 CG GLU A 11 4.509 -12.780 -1.529 1.00 0.00 C ATOM 183 CD GLU A 11 5.366 -14.042 -1.489 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.815 -14.398 -0.378 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.535 -14.640 -2.573 1.00 0.00 O ATOM 0 H GLU A 11 1.460 -13.668 0.814 1.00 0.00 H new ATOM 0 HA GLU A 11 4.240 -13.180 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.819 -13.988 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.430 -12.300 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.311 -12.508 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.060 -11.952 -1.082 1.00 0.00 H new ATOM 192 N ILE A 12 2.321 -10.477 0.857 1.00 0.00 N ATOM 193 CA ILE A 12 2.302 -9.047 1.122 1.00 0.00 C ATOM 194 C ILE A 12 2.671 -8.767 2.588 1.00 0.00 C ATOM 195 O ILE A 12 3.410 -7.833 2.885 1.00 0.00 O ATOM 196 CB ILE A 12 0.937 -8.470 0.718 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.664 -8.721 -0.778 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.908 -6.967 1.006 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.831 -8.728 -1.104 1.00 0.00 C ATOM 0 H ILE A 12 1.434 -10.854 0.524 1.00 0.00 H new ATOM 0 HA ILE A 12 3.056 -8.542 0.519 1.00 0.00 H new ATOM 0 HB ILE A 12 0.161 -8.967 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.159 -7.950 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.101 -9.676 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.061 -6.560 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.072 -6.797 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.693 -6.472 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.970 -8.909 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.324 -9.516 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.266 -7.764 -0.840 1.00 0.00 H new ATOM 211 N GLN A 13 2.213 -9.611 3.511 1.00 0.00 N ATOM 212 CA GLN A 13 2.496 -9.502 4.935 1.00 0.00 C ATOM 213 C GLN A 13 3.988 -9.704 5.233 1.00 0.00 C ATOM 214 O GLN A 13 4.470 -9.236 6.264 1.00 0.00 O ATOM 215 CB GLN A 13 1.611 -10.496 5.716 1.00 0.00 C ATOM 216 CG GLN A 13 0.984 -9.907 6.990 1.00 0.00 C ATOM 217 CD GLN A 13 -0.516 -10.205 7.050 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.307 -9.608 6.330 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.929 -11.149 7.891 1.00 0.00 N ATOM 0 H GLN A 13 1.620 -10.408 3.280 1.00 0.00 H new ATOM 0 HA GLN A 13 2.253 -8.492 5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.814 -10.849 5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.210 -11.365 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.477 -10.324 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.146 -8.829 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.255 -11.635 8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.919 -11.387 7.944 1.00 0.00 H new ATOM 228 N LYS A 14 4.732 -10.376 4.344 1.00 0.00 N ATOM 229 CA LYS A 14 6.180 -10.489 4.472 1.00 0.00 C ATOM 230 C LYS A 14 6.818 -9.113 4.205 1.00 0.00 C ATOM 231 O LYS A 14 7.828 -8.765 4.818 1.00 0.00 O ATOM 232 CB LYS A 14 6.734 -11.606 3.555 1.00 0.00 C ATOM 233 CG LYS A 14 7.124 -12.899 4.294 1.00 0.00 C ATOM 234 CD LYS A 14 5.895 -13.686 4.780 1.00 0.00 C ATOM 235 CE LYS A 14 6.278 -14.925 5.618 1.00 0.00 C ATOM 236 NZ LYS A 14 5.807 -16.201 5.025 1.00 0.00 N ATOM 0 H LYS A 14 4.347 -10.850 3.527 1.00 0.00 H new ATOM 0 HA LYS A 14 6.443 -10.786 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.985 -11.845 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.608 -11.226 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.717 -13.529 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.755 -12.651 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.261 -13.030 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.306 -14.002 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.362 -14.961 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.860 -14.821 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.095 -16.994 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.770 -16.185 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.225 -16.320 4.080 1.00 0.00 H new ATOM 250 N HIS A 15 6.217 -8.296 3.331 1.00 0.00 N ATOM 251 CA HIS A 15 6.724 -6.977 2.966 1.00 0.00 C ATOM 252 C HIS A 15 6.378 -5.937 4.039 1.00 0.00 C ATOM 253 O HIS A 15 5.618 -4.991 3.817 1.00 0.00 O ATOM 254 CB HIS A 15 6.193 -6.593 1.584 1.00 0.00 C ATOM 255 CG HIS A 15 6.932 -7.257 0.455 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.735 -6.615 -0.458 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.924 -8.589 0.143 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.184 -7.545 -1.317 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.727 -8.763 -0.986 1.00 0.00 N ATOM 0 H HIS A 15 5.350 -8.542 2.852 1.00 0.00 H new ATOM 0 HA HIS A 15 7.812 -7.007 2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.137 -6.857 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.259 -5.511 1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.393 -9.365 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.826 -7.340 -2.161 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.927 -9.641 -1.464 1.00 0.00 H new ATOM 267 N LYS A 16 6.981 -6.118 5.215 1.00 0.00 N ATOM 268 CA LYS A 16 6.850 -5.218 6.348 1.00 0.00 C ATOM 269 C LYS A 16 8.123 -5.259 7.181 1.00 0.00 C ATOM 270 O LYS A 16 8.763 -4.227 7.399 1.00 0.00 O ATOM 271 CB LYS A 16 5.624 -5.618 7.184 1.00 0.00 C ATOM 272 CG LYS A 16 5.613 -4.934 8.558 1.00 0.00 C ATOM 273 CD LYS A 16 4.245 -5.096 9.230 1.00 0.00 C ATOM 274 CE LYS A 16 4.350 -5.448 10.720 1.00 0.00 C ATOM 275 NZ LYS A 16 4.735 -6.860 10.924 1.00 0.00 N ATOM 0 H LYS A 16 7.588 -6.916 5.404 1.00 0.00 H new ATOM 0 HA LYS A 16 6.705 -4.196 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.715 -5.356 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.615 -6.700 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.389 -5.365 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.846 -3.875 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.680 -4.171 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.683 -5.876 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.085 -4.798 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.393 -5.258 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.796 -7.060 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.021 -7.480 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.660 -7.035 10.481 1.00 0.00 H new ATOM 289 N ASP A 17 8.430 -6.448 7.704 1.00 0.00 N ATOM 290 CA ASP A 17 9.515 -6.642 8.650 1.00 0.00 C ATOM 291 C ASP A 17 10.826 -6.261 7.962 1.00 0.00 C ATOM 292 O ASP A 17 11.503 -5.321 8.375 1.00 0.00 O ATOM 293 CB ASP A 17 9.477 -8.093 9.157 1.00 0.00 C ATOM 294 CG ASP A 17 10.089 -8.214 10.544 1.00 0.00 C ATOM 295 OD1 ASP A 17 11.162 -7.613 10.747 1.00 0.00 O ATOM 296 OD2 ASP A 17 9.444 -8.885 11.379 1.00 0.00 O ATOM 0 H ASP A 17 7.925 -7.305 7.477 1.00 0.00 H new ATOM 0 HA ASP A 17 9.417 -6.004 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.445 -8.444 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.017 -8.737 8.462 1.00 0.00 H new ATOM 301 N SER A 18 11.084 -6.921 6.825 1.00 0.00 N ATOM 302 CA SER A 18 12.208 -6.710 5.926 1.00 0.00 C ATOM 303 C SER A 18 12.646 -5.241 5.817 1.00 0.00 C ATOM 304 O SER A 18 13.653 -4.863 6.409 1.00 0.00 O ATOM 305 CB SER A 18 11.837 -7.309 4.562 1.00 0.00 C ATOM 306 OG SER A 18 11.490 -8.668 4.733 1.00 0.00 O ATOM 0 H SER A 18 10.468 -7.664 6.494 1.00 0.00 H new ATOM 0 HA SER A 18 13.083 -7.215 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.003 -6.760 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.675 -7.219 3.871 1.00 0.00 H new ATOM 0 HG SER A 18 11.250 -9.056 3.866 1.00 0.00 H new ATOM 312 N LYS A 19 11.920 -4.428 5.038 1.00 0.00 N ATOM 313 CA LYS A 19 12.209 -3.015 4.791 1.00 0.00 C ATOM 314 C LYS A 19 11.152 -2.463 3.832 1.00 0.00 C ATOM 315 O LYS A 19 10.494 -1.466 4.135 1.00 0.00 O ATOM 316 CB LYS A 19 13.627 -2.804 4.215 1.00 0.00 C ATOM 317 CG LYS A 19 13.990 -1.316 4.067 1.00 0.00 C ATOM 318 CD LYS A 19 15.291 -0.995 4.821 1.00 0.00 C ATOM 319 CE LYS A 19 15.698 0.471 4.607 1.00 0.00 C ATOM 320 NZ LYS A 19 16.925 0.826 5.353 1.00 0.00 N ATOM 0 H LYS A 19 11.086 -4.751 4.547 1.00 0.00 H new ATOM 0 HA LYS A 19 12.175 -2.480 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.355 -3.289 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.696 -3.290 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.105 -1.068 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.179 -0.699 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.157 -1.188 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.089 -1.653 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.857 0.650 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.883 1.122 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.161 1.824 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.767 0.681 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.711 0.224 5.035 1.00 0.00 H new ATOM 334 N SER A 20 11.019 -3.130 2.678 1.00 0.00 N ATOM 335 CA SER A 20 10.102 -2.778 1.600 1.00 0.00 C ATOM 336 C SER A 20 8.673 -2.708 2.138 1.00 0.00 C ATOM 337 O SER A 20 7.999 -3.727 2.271 1.00 0.00 O ATOM 338 CB SER A 20 10.248 -3.779 0.441 1.00 0.00 C ATOM 339 OG SER A 20 9.339 -3.504 -0.605 1.00 0.00 O ATOM 0 H SER A 20 11.571 -3.961 2.467 1.00 0.00 H new ATOM 0 HA SER A 20 10.348 -1.792 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.267 -3.744 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.082 -4.791 0.811 1.00 0.00 H new ATOM 0 HG SER A 20 9.207 -2.536 -0.677 1.00 0.00 H new ATOM 345 N THR A 21 8.251 -1.501 2.510 1.00 0.00 N ATOM 346 CA THR A 21 6.970 -1.221 3.110 1.00 0.00 C ATOM 347 C THR A 21 5.895 -1.224 2.026 1.00 0.00 C ATOM 348 O THR A 21 5.789 -0.294 1.222 1.00 0.00 O ATOM 349 CB THR A 21 7.097 0.105 3.864 1.00 0.00 C ATOM 350 OG1 THR A 21 7.900 -0.135 5.007 1.00 0.00 O ATOM 351 CG2 THR A 21 5.736 0.679 4.257 1.00 0.00 C ATOM 0 H THR A 21 8.823 -0.665 2.392 1.00 0.00 H new ATOM 0 HA THR A 21 6.667 -1.982 3.829 1.00 0.00 H new ATOM 0 HB THR A 21 7.558 0.852 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.775 -0.477 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.878 1.620 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.143 0.856 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.215 -0.028 4.903 1.00 0.00 H new ATOM 359 N TRP A 22 5.110 -2.302 2.012 1.00 0.00 N ATOM 360 CA TRP A 22 3.959 -2.455 1.141 1.00 0.00 C ATOM 361 C TRP A 22 2.690 -2.164 1.917 1.00 0.00 C ATOM 362 O TRP A 22 2.683 -2.217 3.146 1.00 0.00 O ATOM 363 CB TRP A 22 3.929 -3.873 0.599 1.00 0.00 C ATOM 364 CG TRP A 22 4.923 -4.144 -0.481 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.024 -3.420 -0.780 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.874 -5.206 -1.463 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.628 -3.942 -1.897 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.977 -5.067 -2.351 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.977 -6.261 -1.695 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.200 -5.964 -3.403 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.204 -7.190 -2.727 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.327 -7.053 -3.564 1.00 0.00 C ATOM 0 H TRP A 22 5.265 -3.106 2.621 1.00 0.00 H new ATOM 0 HA TRP A 22 4.030 -1.754 0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.106 -4.566 1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.930 -4.081 0.216 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.375 -2.562 -0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.458 -3.545 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.100 -6.361 -1.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.030 -5.821 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.516 -8.009 -2.877 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.518 -7.787 -4.333 1.00 0.00 H new ATOM 383 N VAL A 23 1.609 -1.890 1.192 1.00 0.00 N ATOM 384 CA VAL A 23 0.282 -1.717 1.755 1.00 0.00 C ATOM 385 C VAL A 23 -0.736 -2.160 0.704 1.00 0.00 C ATOM 386 O VAL A 23 -0.527 -1.952 -0.495 1.00 0.00 O ATOM 387 CB VAL A 23 0.051 -0.260 2.195 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.587 0.032 3.602 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.695 0.747 1.240 1.00 0.00 C ATOM 0 H VAL A 23 1.636 -1.781 0.178 1.00 0.00 H new ATOM 0 HA VAL A 23 0.171 -2.327 2.651 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.033 -0.145 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.395 1.075 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.087 -0.615 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.660 -0.156 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.503 1.759 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.770 0.574 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.271 0.626 0.243 1.00 0.00 H new ATOM 399 N ILE A 24 -1.825 -2.791 1.156 1.00 0.00 N ATOM 400 CA ILE A 24 -2.931 -3.165 0.296 1.00 0.00 C ATOM 401 C ILE A 24 -4.029 -2.118 0.496 1.00 0.00 C ATOM 402 O ILE A 24 -4.623 -2.019 1.570 1.00 0.00 O ATOM 403 CB ILE A 24 -3.336 -4.635 0.504 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.015 -4.961 1.828 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.110 -5.540 0.415 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.500 -5.268 1.638 1.00 0.00 C ATOM 0 H ILE A 24 -1.956 -3.053 2.133 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.663 -3.149 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.064 -4.809 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.522 -5.817 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.901 -4.120 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.412 -6.577 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.650 -5.434 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.392 -5.257 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.951 -5.496 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.997 -4.402 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.612 -6.125 0.974 1.00 0.00 H new ATOM 418 N LEU A 25 -4.211 -1.256 -0.505 1.00 0.00 N ATOM 419 CA LEU A 25 -5.165 -0.162 -0.446 1.00 0.00 C ATOM 420 C LEU A 25 -6.159 -0.420 -1.571 1.00 0.00 C ATOM 421 O LEU A 25 -5.810 -0.322 -2.744 1.00 0.00 O ATOM 422 CB LEU A 25 -4.469 1.198 -0.581 1.00 0.00 C ATOM 423 CG LEU A 25 -3.332 1.415 0.430 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.204 2.194 -0.237 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.792 2.260 1.610 1.00 0.00 C ATOM 0 H LEU A 25 -3.694 -1.303 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.674 -0.122 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.068 1.292 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.209 1.989 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.011 0.431 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.396 2.349 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.829 1.631 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.579 3.160 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.964 2.394 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.127 3.234 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.615 1.758 2.118 1.00 0.00 H new ATOM 437 N HIS A 26 -7.387 -0.788 -1.227 1.00 0.00 N ATOM 438 CA HIS A 26 -8.394 -1.211 -2.192 1.00 0.00 C ATOM 439 C HIS A 26 -7.920 -2.467 -2.942 1.00 0.00 C ATOM 440 O HIS A 26 -6.980 -3.146 -2.533 1.00 0.00 O ATOM 441 CB HIS A 26 -8.746 -0.062 -3.158 1.00 0.00 C ATOM 442 CG HIS A 26 -8.946 1.280 -2.503 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.140 1.794 -2.047 1.00 0.00 N ATOM 444 CD2 HIS A 26 -7.981 2.233 -2.302 1.00 0.00 C ATOM 445 CE1 HIS A 26 -9.892 3.025 -1.571 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.592 3.333 -1.705 1.00 0.00 N ATOM 0 H HIS A 26 -7.715 -0.801 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.307 -1.470 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.951 0.027 -3.899 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.656 -0.326 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.936 2.146 -2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.636 3.678 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.140 4.203 -1.424 1.00 0.00 H new ATOM 454 N HIS A 27 -8.574 -2.781 -4.064 1.00 0.00 N ATOM 455 CA HIS A 27 -8.346 -3.993 -4.842 1.00 0.00 C ATOM 456 C HIS A 27 -7.107 -3.832 -5.725 1.00 0.00 C ATOM 457 O HIS A 27 -7.203 -3.974 -6.942 1.00 0.00 O ATOM 458 CB HIS A 27 -9.595 -4.284 -5.692 1.00 0.00 C ATOM 459 CG HIS A 27 -10.863 -4.588 -4.927 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.728 -5.619 -5.216 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.463 -3.813 -3.966 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.815 -5.471 -4.439 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.699 -4.384 -3.662 1.00 0.00 N ATOM 0 H HIS A 27 -9.295 -2.180 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.168 -4.834 -4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.780 -3.424 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.377 -5.129 -6.345 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.051 -2.918 -3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.666 -6.137 -4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.380 -4.042 -2.983 1.00 0.00 H new ATOM 471 N LYS A 28 -5.961 -3.500 -5.126 1.00 0.00 N ATOM 472 CA LYS A 28 -4.696 -3.276 -5.811 1.00 0.00 C ATOM 473 C LYS A 28 -3.612 -3.005 -4.763 1.00 0.00 C ATOM 474 O LYS A 28 -3.855 -2.288 -3.794 1.00 0.00 O ATOM 475 CB LYS A 28 -4.809 -2.180 -6.885 1.00 0.00 C ATOM 476 CG LYS A 28 -5.509 -0.895 -6.410 1.00 0.00 C ATOM 477 CD LYS A 28 -6.482 -0.309 -7.452 1.00 0.00 C ATOM 478 CE LYS A 28 -7.919 -0.310 -6.908 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.918 0.050 -7.934 1.00 0.00 N ATOM 0 H LYS A 28 -5.891 -3.377 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.411 -4.170 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.808 -1.926 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.353 -2.581 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.056 -1.106 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.754 -0.147 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.184 0.708 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.435 -0.893 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.152 -1.298 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.989 0.392 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.869 0.034 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.716 1.004 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.874 -0.634 -8.716 1.00 0.00 H new ATOM 493 N VAL A 29 -2.445 -3.633 -4.915 1.00 0.00 N ATOM 494 CA VAL A 29 -1.356 -3.547 -3.954 1.00 0.00 C ATOM 495 C VAL A 29 -0.407 -2.429 -4.374 1.00 0.00 C ATOM 496 O VAL A 29 -0.178 -2.211 -5.569 1.00 0.00 O ATOM 497 CB VAL A 29 -0.637 -4.903 -3.817 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.427 -4.830 -2.711 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.648 -6.000 -3.475 1.00 0.00 C ATOM 0 H VAL A 29 -2.232 -4.222 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.752 -3.307 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.154 -5.137 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.928 -5.794 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.159 -4.062 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.050 -4.582 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.131 -6.955 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.141 -5.759 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.393 -6.068 -4.268 1.00 0.00 H new ATOM 509 N TYR A 30 0.142 -1.723 -3.384 1.00 0.00 N ATOM 510 CA TYR A 30 1.038 -0.603 -3.598 1.00 0.00 C ATOM 511 C TYR A 30 2.326 -0.820 -2.794 1.00 0.00 C ATOM 512 O TYR A 30 2.267 -1.201 -1.622 1.00 0.00 O ATOM 513 CB TYR A 30 0.297 0.673 -3.193 1.00 0.00 C ATOM 514 CG TYR A 30 -0.956 0.948 -4.010 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.830 1.443 -5.315 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.243 0.724 -3.492 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.971 1.719 -6.084 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.365 1.226 -4.180 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.224 1.749 -5.470 1.00 0.00 C ATOM 520 OH TYR A 30 -4.294 2.290 -6.121 1.00 0.00 O ATOM 0 H TYR A 30 -0.031 -1.922 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 30 1.331 -0.514 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.023 0.603 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.975 1.521 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.152 1.613 -5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.371 0.171 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.880 1.907 -7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.337 1.207 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.089 2.229 -5.551 1.00 0.00 H new ATOM 530 N ASP A 31 3.477 -0.582 -3.436 1.00 0.00 N ATOM 531 CA ASP A 31 4.787 -0.504 -2.794 1.00 0.00 C ATOM 532 C ASP A 31 5.060 0.975 -2.600 1.00 0.00 C ATOM 533 O ASP A 31 4.836 1.755 -3.525 1.00 0.00 O ATOM 534 CB ASP A 31 5.893 -1.109 -3.676 1.00 0.00 C ATOM 535 CG ASP A 31 7.300 -0.847 -3.137 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.718 0.329 -3.144 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.964 -1.812 -2.695 1.00 0.00 O ATOM 0 H ASP A 31 3.519 -0.435 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 31 4.785 -1.063 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.736 -2.185 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.813 -0.697 -4.682 1.00 0.00 H new ATOM 542 N LEU A 32 5.516 1.363 -1.410 1.00 0.00 N ATOM 543 CA LEU A 32 5.854 2.749 -1.149 1.00 0.00 C ATOM 544 C LEU A 32 7.286 2.857 -0.628 1.00 0.00 C ATOM 545 O LEU A 32 7.636 3.813 0.062 1.00 0.00 O ATOM 546 CB LEU A 32 4.817 3.298 -0.173 1.00 0.00 C ATOM 547 CG LEU A 32 3.362 3.076 -0.646 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.496 3.565 0.494 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.954 3.793 -1.946 1.00 0.00 C ATOM 0 H LEU A 32 5.657 0.735 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 32 5.826 3.347 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.954 2.823 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.988 4.365 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 32 3.245 2.020 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.445 3.440 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.718 2.989 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.700 4.619 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.914 3.563 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.068 4.870 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.591 3.455 -2.763 1.00 0.00 H new ATOM 561 N THR A 33 8.135 1.905 -1.006 1.00 0.00 N ATOM 562 CA THR A 33 9.486 1.734 -0.504 1.00 0.00 C ATOM 563 C THR A 33 10.381 2.936 -0.833 1.00 0.00 C ATOM 564 O THR A 33 11.306 3.226 -0.078 1.00 0.00 O ATOM 565 CB THR A 33 10.015 0.399 -1.047 1.00 0.00 C ATOM 566 OG1 THR A 33 9.152 -0.621 -0.583 1.00 0.00 O ATOM 567 CG2 THR A 33 11.434 0.083 -0.573 1.00 0.00 C ATOM 0 H THR A 33 7.884 1.203 -1.702 1.00 0.00 H new ATOM 0 HA THR A 33 9.490 1.696 0.585 1.00 0.00 H new ATOM 0 HB THR A 33 10.044 0.463 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.772 -0.360 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.752 -0.873 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.112 0.868 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.450 0.028 0.515 1.00 0.00 H new ATOM 575 N LYS A 34 10.112 3.647 -1.935 1.00 0.00 N ATOM 576 CA LYS A 34 10.762 4.913 -2.261 1.00 0.00 C ATOM 577 C LYS A 34 9.777 6.085 -2.203 1.00 0.00 C ATOM 578 O LYS A 34 10.032 7.126 -2.801 1.00 0.00 O ATOM 579 CB LYS A 34 11.404 4.801 -3.646 1.00 0.00 C ATOM 580 CG LYS A 34 12.648 3.911 -3.616 1.00 0.00 C ATOM 581 CD LYS A 34 13.444 4.094 -4.920 1.00 0.00 C ATOM 582 CE LYS A 34 13.770 2.765 -5.609 1.00 0.00 C ATOM 583 NZ LYS A 34 14.613 1.889 -4.770 1.00 0.00 N ATOM 0 H LYS A 34 9.428 3.352 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 34 11.534 5.115 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.680 4.393 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.674 5.794 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.271 4.167 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.358 2.867 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.873 4.722 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.372 4.622 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.842 2.247 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.281 2.963 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.807 1.003 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.511 2.370 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.116 1.677 -3.881 1.00 0.00 H new ATOM 597 N PHE A 35 8.666 5.931 -1.482 1.00 0.00 N ATOM 598 CA PHE A 35 7.674 6.984 -1.304 1.00 0.00 C ATOM 599 C PHE A 35 7.522 7.370 0.174 1.00 0.00 C ATOM 600 O PHE A 35 6.852 8.346 0.486 1.00 0.00 O ATOM 601 CB PHE A 35 6.360 6.541 -1.952 1.00 0.00 C ATOM 602 CG PHE A 35 5.208 7.518 -1.830 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.353 8.850 -2.260 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.010 7.110 -1.225 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.309 9.769 -2.066 1.00 0.00 C ATOM 606 CE2 PHE A 35 2.949 8.012 -1.074 1.00 0.00 C ATOM 607 CZ PHE A 35 3.111 9.351 -1.460 1.00 0.00 C ATOM 0 H PHE A 35 8.430 5.063 -1.002 1.00 0.00 H new ATOM 0 HA PHE A 35 8.006 7.894 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.543 6.353 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.058 5.593 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.268 9.166 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.905 6.094 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.426 10.795 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.009 7.677 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.315 10.061 -1.292 1.00 0.00 H new ATOM 617 N LEU A 36 8.169 6.640 1.087 1.00 0.00 N ATOM 618 CA LEU A 36 8.059 6.838 2.522 1.00 0.00 C ATOM 619 C LEU A 36 8.244 8.308 2.926 1.00 0.00 C ATOM 620 O LEU A 36 7.303 8.933 3.405 1.00 0.00 O ATOM 621 CB LEU A 36 9.065 5.917 3.228 1.00 0.00 C ATOM 622 CG LEU A 36 8.728 4.415 3.183 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.694 3.625 4.076 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.284 4.114 3.610 1.00 0.00 C ATOM 0 H LEU A 36 8.798 5.878 0.835 1.00 0.00 H new ATOM 0 HA LEU A 36 7.049 6.575 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.046 6.066 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.143 6.224 4.271 1.00 0.00 H new ATOM 0 HG LEU A 36 8.836 4.106 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.444 2.565 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.716 3.771 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.610 3.977 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.106 3.040 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.127 4.459 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.593 4.629 2.943 1.00 0.00 H new ATOM 636 N GLU A 37 9.440 8.874 2.738 1.00 0.00 N ATOM 637 CA GLU A 37 9.680 10.273 3.068 1.00 0.00 C ATOM 638 C GLU A 37 8.878 11.211 2.157 1.00 0.00 C ATOM 639 O GLU A 37 8.338 12.208 2.624 1.00 0.00 O ATOM 640 CB GLU A 37 11.182 10.589 2.989 1.00 0.00 C ATOM 641 CG GLU A 37 11.855 10.531 4.368 1.00 0.00 C ATOM 642 CD GLU A 37 13.233 11.180 4.336 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.278 12.392 4.037 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.214 10.454 4.602 1.00 0.00 O ATOM 0 H GLU A 37 10.251 8.384 2.360 1.00 0.00 H new ATOM 0 HA GLU A 37 9.340 10.441 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.667 9.879 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.322 11.581 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.229 11.037 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.946 9.493 4.688 1.00 0.00 H new ATOM 651 N GLU A 38 8.831 10.904 0.855 1.00 0.00 N ATOM 652 CA GLU A 38 8.139 11.720 -0.141 1.00 0.00 C ATOM 653 C GLU A 38 6.683 11.988 0.253 1.00 0.00 C ATOM 654 O GLU A 38 6.170 13.087 0.053 1.00 0.00 O ATOM 655 CB GLU A 38 8.194 11.007 -1.498 1.00 0.00 C ATOM 656 CG GLU A 38 9.354 11.482 -2.381 1.00 0.00 C ATOM 657 CD GLU A 38 8.982 12.721 -3.193 1.00 0.00 C ATOM 658 OE1 GLU A 38 7.916 12.671 -3.845 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.778 13.683 -3.161 1.00 0.00 O ATOM 0 H GLU A 38 9.277 10.075 0.463 1.00 0.00 H new ATOM 0 HA GLU A 38 8.641 12.685 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.286 9.933 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.254 11.169 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.219 11.704 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.647 10.679 -3.058 1.00 0.00 H new ATOM 666 N HIS A 39 6.000 10.965 0.771 1.00 0.00 N ATOM 667 CA HIS A 39 4.610 11.053 1.176 1.00 0.00 C ATOM 668 C HIS A 39 4.388 12.272 2.077 1.00 0.00 C ATOM 669 O HIS A 39 5.056 12.389 3.102 1.00 0.00 O ATOM 670 CB HIS A 39 4.216 9.755 1.883 1.00 0.00 C ATOM 671 CG HIS A 39 2.836 9.780 2.479 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.564 9.830 3.820 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.646 9.626 1.823 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.235 9.709 3.963 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.628 9.572 2.773 1.00 0.00 N ATOM 0 H HIS A 39 6.410 10.043 0.920 1.00 0.00 H new ATOM 0 HA HIS A 39 3.977 11.182 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.279 8.932 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.938 9.549 2.673 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.245 9.939 4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.517 9.558 0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.720 9.720 4.912 1.00 0.00 H new ATOM 683 N PRO A 40 3.443 13.168 1.746 1.00 0.00 N ATOM 684 CA PRO A 40 3.250 14.411 2.478 1.00 0.00 C ATOM 685 C PRO A 40 2.898 14.158 3.948 1.00 0.00 C ATOM 686 O PRO A 40 3.258 14.957 4.809 1.00 0.00 O ATOM 687 CB PRO A 40 2.149 15.177 1.732 1.00 0.00 C ATOM 688 CG PRO A 40 1.411 14.091 0.959 1.00 0.00 C ATOM 689 CD PRO A 40 2.495 13.066 0.649 1.00 0.00 C ATOM 0 HA PRO A 40 4.168 14.997 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.486 15.698 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.568 15.930 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.606 13.655 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.960 14.484 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.078 12.061 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.975 13.277 -0.307 1.00 0.00 H new ATOM 697 N GLY A 41 2.215 13.048 4.248 1.00 0.00 N ATOM 698 CA GLY A 41 1.908 12.671 5.621 1.00 0.00 C ATOM 699 C GLY A 41 3.084 12.002 6.345 1.00 0.00 C ATOM 700 O GLY A 41 2.992 11.776 7.549 1.00 0.00 O ATOM 0 H GLY A 41 1.864 12.394 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.607 13.560 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.056 11.991 5.622 1.00 0.00 H new ATOM 704 N GLY A 42 4.171 11.658 5.640 1.00 0.00 N ATOM 705 CA GLY A 42 5.369 11.063 6.223 1.00 0.00 C ATOM 706 C GLY A 42 5.557 9.585 5.943 1.00 0.00 C ATOM 707 O GLY A 42 4.685 8.926 5.381 1.00 0.00 O ATOM 0 H GLY A 42 4.238 11.790 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.241 11.601 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.341 11.211 7.302 1.00 0.00 H new ATOM 711 N GLU A 43 6.689 9.082 6.445 1.00 0.00 N ATOM 712 CA GLU A 43 7.046 7.679 6.440 1.00 0.00 C ATOM 713 C GLU A 43 6.225 6.954 7.497 1.00 0.00 C ATOM 714 O GLU A 43 5.575 5.953 7.209 1.00 0.00 O ATOM 715 CB GLU A 43 8.559 7.547 6.687 1.00 0.00 C ATOM 716 CG GLU A 43 9.040 6.085 6.786 1.00 0.00 C ATOM 717 CD GLU A 43 9.109 5.496 8.191 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.976 6.276 9.154 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.310 4.263 8.262 1.00 0.00 O ATOM 0 H GLU A 43 7.400 9.670 6.879 1.00 0.00 H new ATOM 0 HA GLU A 43 6.824 7.222 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.096 8.044 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.816 8.069 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.376 5.464 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.031 6.018 6.337 1.00 0.00 H new ATOM 726 N GLU A 44 6.252 7.480 8.720 1.00 0.00 N ATOM 727 CA GLU A 44 5.796 6.762 9.899 1.00 0.00 C ATOM 728 C GLU A 44 4.340 6.330 9.719 1.00 0.00 C ATOM 729 O GLU A 44 4.011 5.155 9.850 1.00 0.00 O ATOM 730 CB GLU A 44 6.038 7.624 11.146 1.00 0.00 C ATOM 731 CG GLU A 44 6.218 6.765 12.404 1.00 0.00 C ATOM 732 CD GLU A 44 6.598 7.623 13.605 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.739 8.434 14.012 1.00 0.00 O ATOM 734 OE2 GLU A 44 7.743 7.469 14.082 1.00 0.00 O ATOM 0 H GLU A 44 6.593 8.421 8.917 1.00 0.00 H new ATOM 0 HA GLU A 44 6.367 5.844 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.925 8.240 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.198 8.304 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.294 6.227 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.991 6.016 12.229 1.00 0.00 H new ATOM 741 N VAL A 45 3.475 7.266 9.318 1.00 0.00 N ATOM 742 CA VAL A 45 2.075 6.992 9.048 1.00 0.00 C ATOM 743 C VAL A 45 1.886 5.868 8.018 1.00 0.00 C ATOM 744 O VAL A 45 0.905 5.132 8.098 1.00 0.00 O ATOM 745 CB VAL A 45 1.358 8.289 8.644 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.469 9.358 9.739 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.870 8.870 7.325 1.00 0.00 C ATOM 0 H VAL A 45 3.737 8.241 9.173 1.00 0.00 H new ATOM 0 HA VAL A 45 1.616 6.622 9.965 1.00 0.00 H new ATOM 0 HB VAL A 45 0.313 8.011 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.950 10.262 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.016 8.986 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.519 9.587 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.324 9.785 7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.933 9.094 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.718 8.145 6.525 1.00 0.00 H new ATOM 757 N LEU A 46 2.807 5.710 7.061 1.00 0.00 N ATOM 758 CA LEU A 46 2.762 4.599 6.120 1.00 0.00 C ATOM 759 C LEU A 46 3.255 3.321 6.785 1.00 0.00 C ATOM 760 O LEU A 46 2.623 2.268 6.689 1.00 0.00 O ATOM 761 CB LEU A 46 3.599 4.900 4.860 1.00 0.00 C ATOM 762 CG LEU A 46 2.781 5.424 3.678 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.670 4.439 3.303 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.142 6.759 3.994 1.00 0.00 C ATOM 0 H LEU A 46 3.594 6.344 6.922 1.00 0.00 H new ATOM 0 HA LEU A 46 1.725 4.462 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.365 5.634 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.117 3.991 4.555 1.00 0.00 H new ATOM 0 HG LEU A 46 3.474 5.541 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.103 4.834 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.111 3.481 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.005 4.300 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.569 7.101 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.478 6.651 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.918 7.488 4.226 1.00 0.00 H new ATOM 776 N ARG A 47 4.416 3.409 7.430 1.00 0.00 N ATOM 777 CA ARG A 47 5.118 2.254 7.961 1.00 0.00 C ATOM 778 C ARG A 47 4.482 1.728 9.254 1.00 0.00 C ATOM 779 O ARG A 47 4.833 0.639 9.705 1.00 0.00 O ATOM 780 CB ARG A 47 6.606 2.606 8.098 1.00 0.00 C ATOM 781 CG ARG A 47 7.542 1.423 7.809 1.00 0.00 C ATOM 782 CD ARG A 47 8.412 1.067 9.017 1.00 0.00 C ATOM 783 NE ARG A 47 9.560 0.229 8.629 1.00 0.00 N ATOM 784 CZ ARG A 47 9.514 -1.076 8.314 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.353 -1.729 8.332 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.628 -1.744 7.988 1.00 0.00 N ATOM 0 H ARG A 47 4.896 4.293 7.598 1.00 0.00 H new ATOM 0 HA ARG A 47 5.031 1.418 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.843 3.422 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.794 2.970 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.949 0.555 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.182 1.667 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.771 1.981 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.810 0.540 9.757 1.00 0.00 H new ATOM 0 HE ARG A 47 10.474 0.681 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.496 -1.238 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.321 -2.720 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.527 -1.262 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.578 -2.735 7.751 1.00 0.00 H new ATOM 800 N GLU A 48 3.531 2.489 9.808 1.00 0.00 N ATOM 801 CA GLU A 48 2.719 2.186 10.974 1.00 0.00 C ATOM 802 C GLU A 48 2.135 0.780 10.896 1.00 0.00 C ATOM 803 O GLU A 48 2.439 -0.087 11.713 1.00 0.00 O ATOM 804 CB GLU A 48 1.605 3.251 11.079 1.00 0.00 C ATOM 805 CG GLU A 48 1.782 4.195 12.277 1.00 0.00 C ATOM 806 CD GLU A 48 1.288 3.571 13.579 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.220 2.323 13.629 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.945 4.356 14.488 1.00 0.00 O ATOM 0 H GLU A 48 3.298 3.401 9.416 1.00 0.00 H new ATOM 0 HA GLU A 48 3.340 2.214 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.585 3.839 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.640 2.751 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.835 4.458 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.239 5.122 12.091 1.00 0.00 H new ATOM 815 N GLN A 49 1.285 0.559 9.892 1.00 0.00 N ATOM 816 CA GLN A 49 0.609 -0.709 9.727 1.00 0.00 C ATOM 817 C GLN A 49 1.511 -1.597 8.895 1.00 0.00 C ATOM 818 O GLN A 49 2.084 -2.543 9.424 1.00 0.00 O ATOM 819 CB GLN A 49 -0.772 -0.495 9.089 1.00 0.00 C ATOM 820 CG GLN A 49 -1.757 0.137 10.082 1.00 0.00 C ATOM 821 CD GLN A 49 -2.020 -0.771 11.281 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.604 -1.840 11.136 1.00 0.00 O ATOM 823 NE2 GLN A 49 -1.576 -0.379 12.473 1.00 0.00 N ATOM 0 H GLN A 49 1.054 1.253 9.181 1.00 0.00 H new ATOM 0 HA GLN A 49 0.424 -1.193 10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.674 0.147 8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.166 -1.450 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.360 1.091 10.429 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.698 0.349 9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.093 0.514 12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.719 -0.972 13.291 1.00 0.00 H new ATOM 832 N ALA A 50 1.654 -1.244 7.613 1.00 0.00 N ATOM 833 CA ALA A 50 2.380 -1.994 6.595 1.00 0.00 C ATOM 834 C ALA A 50 1.886 -3.444 6.419 1.00 0.00 C ATOM 835 O ALA A 50 1.435 -4.094 7.357 1.00 0.00 O ATOM 836 CB ALA A 50 3.883 -1.899 6.861 1.00 0.00 C ATOM 0 H ALA A 50 1.245 -0.385 7.244 1.00 0.00 H new ATOM 0 HA ALA A 50 2.171 -1.531 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.424 -2.460 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.193 -0.854 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.106 -2.315 7.844 1.00 0.00 H new ATOM 842 N GLY A 51 1.963 -3.957 5.188 1.00 0.00 N ATOM 843 CA GLY A 51 1.550 -5.306 4.823 1.00 0.00 C ATOM 844 C GLY A 51 0.197 -5.685 5.430 1.00 0.00 C ATOM 845 O GLY A 51 0.088 -6.703 6.107 1.00 0.00 O ATOM 0 H GLY A 51 2.326 -3.425 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.493 -5.385 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.306 -6.017 5.155 1.00 0.00 H new ATOM 849 N GLY A 52 -0.825 -4.859 5.200 1.00 0.00 N ATOM 850 CA GLY A 52 -2.144 -5.025 5.772 1.00 0.00 C ATOM 851 C GLY A 52 -3.092 -4.066 5.061 1.00 0.00 C ATOM 852 O GLY A 52 -2.644 -3.204 4.293 1.00 0.00 O ATOM 0 H GLY A 52 -0.747 -4.041 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.484 -6.054 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.124 -4.817 6.842 1.00 0.00 H new ATOM 856 N ASP A 53 -4.387 -4.244 5.320 1.00 0.00 N ATOM 857 CA ASP A 53 -5.530 -3.508 4.798 1.00 0.00 C ATOM 858 C ASP A 53 -5.546 -2.085 5.331 1.00 0.00 C ATOM 859 O ASP A 53 -6.442 -1.652 6.052 1.00 0.00 O ATOM 860 CB ASP A 53 -6.839 -4.267 5.097 1.00 0.00 C ATOM 861 CG ASP A 53 -7.007 -4.682 6.557 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.008 -5.186 7.122 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.143 -4.559 7.055 1.00 0.00 O ATOM 0 H ASP A 53 -4.687 -4.978 5.962 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.441 -3.435 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.683 -3.639 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.879 -5.159 4.471 1.00 0.00 H new ATOM 868 N ALA A 54 -4.568 -1.311 4.871 1.00 0.00 N ATOM 869 CA ALA A 54 -4.475 0.097 5.196 1.00 0.00 C ATOM 870 C ALA A 54 -5.578 0.911 4.508 1.00 0.00 C ATOM 871 O ALA A 54 -5.712 2.094 4.808 1.00 0.00 O ATOM 872 CB ALA A 54 -3.072 0.594 4.851 1.00 0.00 C ATOM 0 H ALA A 54 -3.821 -1.648 4.263 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.635 0.235 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.992 1.654 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.336 0.034 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.886 0.449 3.787 1.00 0.00 H new ATOM 878 N THR A 55 -6.363 0.306 3.600 1.00 0.00 N ATOM 879 CA THR A 55 -7.475 0.963 2.921 1.00 0.00 C ATOM 880 C THR A 55 -8.338 1.778 3.884 1.00 0.00 C ATOM 881 O THR A 55 -8.549 2.964 3.652 1.00 0.00 O ATOM 882 CB THR A 55 -8.365 -0.042 2.172 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.605 -1.069 1.571 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.139 0.705 1.081 1.00 0.00 C ATOM 0 H THR A 55 -6.235 -0.666 3.319 1.00 0.00 H new ATOM 0 HA THR A 55 -7.022 1.641 2.198 1.00 0.00 H new ATOM 0 HB THR A 55 -9.043 -0.500 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.206 -1.764 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.775 0.004 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.757 1.478 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.436 1.166 0.387 1.00 0.00 H new ATOM 892 N GLU A 56 -8.836 1.149 4.953 1.00 0.00 N ATOM 893 CA GLU A 56 -9.679 1.818 5.932 1.00 0.00 C ATOM 894 C GLU A 56 -9.000 3.084 6.437 1.00 0.00 C ATOM 895 O GLU A 56 -9.597 4.155 6.419 1.00 0.00 O ATOM 896 CB GLU A 56 -9.998 0.859 7.082 1.00 0.00 C ATOM 897 CG GLU A 56 -11.145 -0.073 6.675 1.00 0.00 C ATOM 898 CD GLU A 56 -11.405 -1.165 7.706 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.937 -0.993 8.853 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.079 -2.143 7.320 1.00 0.00 O ATOM 0 H GLU A 56 -8.663 0.165 5.158 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.617 2.111 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.114 0.274 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.274 1.423 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.053 0.514 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.912 -0.533 5.715 1.00 0.00 H new ATOM 907 N ASN A 57 -7.734 2.969 6.840 1.00 0.00 N ATOM 908 CA ASN A 57 -6.973 4.107 7.329 1.00 0.00 C ATOM 909 C ASN A 57 -6.901 5.175 6.237 1.00 0.00 C ATOM 910 O ASN A 57 -7.240 6.328 6.462 1.00 0.00 O ATOM 911 CB ASN A 57 -5.581 3.645 7.781 1.00 0.00 C ATOM 912 CG ASN A 57 -5.083 4.436 8.987 1.00 0.00 C ATOM 913 OD1 ASN A 57 -5.199 3.978 10.117 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.508 5.616 8.778 1.00 0.00 N ATOM 0 H ASN A 57 -7.216 2.090 6.835 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.466 4.548 8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.614 2.585 8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.876 3.757 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.154 6.157 9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.421 5.980 7.829 1.00 0.00 H new ATOM 921 N PHE A 58 -6.490 4.788 5.030 1.00 0.00 N ATOM 922 CA PHE A 58 -6.409 5.667 3.870 1.00 0.00 C ATOM 923 C PHE A 58 -7.738 6.398 3.610 1.00 0.00 C ATOM 924 O PHE A 58 -7.737 7.605 3.379 1.00 0.00 O ATOM 925 CB PHE A 58 -5.899 4.841 2.679 1.00 0.00 C ATOM 926 CG PHE A 58 -5.862 5.508 1.316 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.995 5.445 0.484 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.645 5.982 0.787 1.00 0.00 C ATOM 929 CE1 PHE A 58 -6.921 5.881 -0.850 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.557 6.371 -0.562 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.696 6.316 -1.383 1.00 0.00 C ATOM 0 H PHE A 58 -6.198 3.832 4.830 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.698 6.473 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.889 4.504 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.522 3.950 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.926 5.060 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.774 6.047 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.808 5.882 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.615 6.712 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.630 6.607 -2.421 1.00 0.00 H new ATOM 941 N GLU A 59 -8.872 5.700 3.675 1.00 0.00 N ATOM 942 CA GLU A 59 -10.179 6.293 3.420 1.00 0.00 C ATOM 943 C GLU A 59 -10.561 7.233 4.557 1.00 0.00 C ATOM 944 O GLU A 59 -10.839 8.408 4.321 1.00 0.00 O ATOM 945 CB GLU A 59 -11.217 5.182 3.209 1.00 0.00 C ATOM 946 CG GLU A 59 -11.259 4.764 1.730 1.00 0.00 C ATOM 947 CD GLU A 59 -11.985 5.775 0.839 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.658 6.669 1.395 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.864 5.625 -0.395 1.00 0.00 O ATOM 0 H GLU A 59 -8.907 4.707 3.906 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.144 6.890 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.970 4.321 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.201 5.530 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.240 4.635 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.752 3.796 1.646 1.00 0.00 H new ATOM 956 N ASP A 60 -10.510 6.738 5.795 1.00 0.00 N ATOM 957 CA ASP A 60 -10.744 7.531 6.996 1.00 0.00 C ATOM 958 C ASP A 60 -9.859 8.786 6.998 1.00 0.00 C ATOM 959 O ASP A 60 -10.263 9.844 7.475 1.00 0.00 O ATOM 960 CB ASP A 60 -10.506 6.644 8.224 1.00 0.00 C ATOM 961 CG ASP A 60 -11.125 7.242 9.481 1.00 0.00 C ATOM 962 OD1 ASP A 60 -12.357 7.093 9.629 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.356 7.816 10.281 1.00 0.00 O ATOM 0 H ASP A 60 -10.301 5.759 5.991 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.775 7.884 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.928 5.655 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.435 6.511 8.374 1.00 0.00 H new ATOM 968 N VAL A 61 -8.666 8.679 6.399 1.00 0.00 N ATOM 969 CA VAL A 61 -7.713 9.768 6.262 1.00 0.00 C ATOM 970 C VAL A 61 -8.029 10.756 5.145 1.00 0.00 C ATOM 971 O VAL A 61 -7.564 11.891 5.204 1.00 0.00 O ATOM 972 CB VAL A 61 -6.272 9.240 6.324 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.229 10.323 6.050 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.976 8.707 7.739 1.00 0.00 C ATOM 0 H VAL A 61 -8.336 7.806 5.988 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.823 10.415 7.132 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.202 8.467 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.231 9.890 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.388 10.737 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.324 11.116 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.953 8.333 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.098 9.512 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.668 7.898 7.975 1.00 0.00 H new ATOM 984 N GLY A 62 -8.855 10.386 4.167 1.00 0.00 N ATOM 985 CA GLY A 62 -9.194 11.298 3.092 1.00 0.00 C ATOM 986 C GLY A 62 -8.010 11.415 2.139 1.00 0.00 C ATOM 987 O GLY A 62 -7.107 12.220 2.345 1.00 0.00 O ATOM 0 H GLY A 62 -9.295 9.468 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.072 10.937 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.448 12.278 3.497 1.00 0.00 H new ATOM 991 N HIS A 63 -8.027 10.593 1.093 1.00 0.00 N ATOM 992 CA HIS A 63 -6.995 10.553 0.073 1.00 0.00 C ATOM 993 C HIS A 63 -7.635 10.739 -1.296 1.00 0.00 C ATOM 994 O HIS A 63 -8.337 9.849 -1.778 1.00 0.00 O ATOM 995 CB HIS A 63 -6.283 9.207 0.157 1.00 0.00 C ATOM 996 CG HIS A 63 -5.218 9.170 1.214 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.340 8.653 2.478 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.905 9.471 1.018 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.110 8.603 3.020 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.204 9.115 2.170 1.00 0.00 N ATOM 0 H HIS A 63 -8.778 9.922 0.932 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.270 11.352 0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.016 8.427 0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.835 8.979 -0.810 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.208 8.359 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.480 9.909 0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.883 8.208 3.999 1.00 0.00 H new ATOM 1008 N SER A 64 -7.406 11.881 -1.947 1.00 0.00 N ATOM 1009 CA SER A 64 -7.905 12.095 -3.293 1.00 0.00 C ATOM 1010 C SER A 64 -7.306 13.359 -3.882 1.00 0.00 C ATOM 1011 O SER A 64 -6.433 13.974 -3.288 1.00 0.00 O ATOM 1012 CB SER A 64 -9.440 12.133 -3.320 1.00 0.00 C ATOM 1013 OG SER A 64 -9.901 11.113 -4.182 1.00 0.00 O ATOM 0 H SER A 64 -6.880 12.665 -1.560 1.00 0.00 H new ATOM 0 HA SER A 64 -7.595 11.253 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.840 11.989 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.788 13.106 -3.665 1.00 0.00 H new ATOM 0 HG SER A 64 -10.881 11.124 -4.208 1.00 0.00 H new ATOM 1019 N THR A 65 -7.732 13.701 -5.098 1.00 0.00 N ATOM 1020 CA THR A 65 -7.307 14.903 -5.812 1.00 0.00 C ATOM 1021 C THR A 65 -5.787 14.975 -6.064 1.00 0.00 C ATOM 1022 O THR A 65 -5.299 15.966 -6.601 1.00 0.00 O ATOM 1023 CB THR A 65 -7.894 16.118 -5.071 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.283 15.877 -4.914 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.717 17.453 -5.800 1.00 0.00 C ATOM 0 H THR A 65 -8.398 13.136 -5.625 1.00 0.00 H new ATOM 0 HA THR A 65 -7.702 14.886 -6.828 1.00 0.00 H new ATOM 0 HB THR A 65 -7.357 16.215 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.695 16.631 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.160 18.253 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.655 17.652 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.210 17.406 -6.771 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.058 13.900 -5.752 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.614 13.775 -5.860 1.00 0.00 C ATOM 1035 C ASP A 66 -3.307 12.286 -5.699 1.00 0.00 C ATOM 1036 O ASP A 66 -2.914 11.591 -6.642 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.939 14.621 -4.767 1.00 0.00 C ATOM 1038 CG ASP A 66 -1.482 14.884 -5.110 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.262 15.619 -6.093 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -0.618 14.332 -4.396 1.00 0.00 O ATOM 0 H ASP A 66 -5.492 13.048 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.234 14.138 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.468 15.568 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.004 14.105 -3.809 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.644 11.768 -4.513 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.472 10.372 -4.152 1.00 0.00 C ATOM 1047 C ALA A 67 -4.181 9.452 -5.137 1.00 0.00 C ATOM 1048 O ALA A 67 -3.644 8.400 -5.442 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.949 10.114 -2.725 1.00 0.00 C ATOM 0 H ALA A 67 -4.053 12.328 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.406 10.148 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.809 9.061 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.373 10.728 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.006 10.369 -2.643 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.356 9.834 -5.650 1.00 0.00 N ATOM 1056 CA ARG A 68 -6.038 9.113 -6.727 1.00 0.00 C ATOM 1057 C ARG A 68 -5.050 8.514 -7.729 1.00 0.00 C ATOM 1058 O ARG A 68 -5.015 7.305 -7.959 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.962 10.047 -7.531 1.00 0.00 C ATOM 1060 CG ARG A 68 -6.532 11.522 -7.526 1.00 0.00 C ATOM 1061 CD ARG A 68 -6.954 12.265 -8.792 1.00 0.00 C ATOM 1062 NE ARG A 68 -8.414 12.289 -8.954 1.00 0.00 N ATOM 1063 CZ ARG A 68 -9.037 12.713 -10.065 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -8.318 13.096 -11.127 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.373 12.754 -10.106 1.00 0.00 N ATOM 0 H ARG A 68 -5.863 10.658 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.608 8.325 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.004 9.697 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.972 9.974 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.964 12.019 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.449 11.580 -7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.576 13.287 -8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.500 11.788 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.988 11.964 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.299 13.065 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.789 13.419 -11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.917 12.463 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.848 13.076 -10.949 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.271 9.407 -8.340 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.396 9.069 -9.436 1.00 0.00 C ATOM 1081 C GLU A 69 -2.080 8.574 -8.849 1.00 0.00 C ATOM 1082 O GLU A 69 -1.533 7.564 -9.287 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.169 10.299 -10.325 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.352 10.535 -11.274 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.244 9.686 -12.535 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.264 9.900 -13.278 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.145 8.841 -12.727 1.00 0.00 O ATOM 0 H GLU A 69 -4.238 10.392 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.840 8.290 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.022 11.179 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.256 10.166 -10.906 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.284 10.303 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.394 11.589 -11.548 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.577 9.288 -7.837 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.290 8.987 -7.237 1.00 0.00 C ATOM 1096 C LEU A 70 -0.248 7.544 -6.717 1.00 0.00 C ATOM 1097 O LEU A 70 0.751 6.850 -6.888 1.00 0.00 O ATOM 1098 CB LEU A 70 0.035 10.014 -6.144 1.00 0.00 C ATOM 1099 CG LEU A 70 1.550 10.181 -5.995 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.143 11.021 -7.139 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.874 10.838 -4.650 1.00 0.00 C ATOM 0 H LEU A 70 -2.054 10.086 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 70 0.485 9.063 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.419 10.973 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.396 9.693 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 70 1.999 9.189 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.220 11.118 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.944 10.531 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.687 12.011 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.953 10.953 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.399 11.818 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.501 10.212 -3.840 1.00 0.00 H new ATOM 1113 N SER A 71 -1.350 7.067 -6.131 1.00 0.00 N ATOM 1114 CA SER A 71 -1.516 5.668 -5.777 1.00 0.00 C ATOM 1115 C SER A 71 -1.266 4.809 -7.009 1.00 0.00 C ATOM 1116 O SER A 71 -0.400 3.942 -6.984 1.00 0.00 O ATOM 1117 CB SER A 71 -2.911 5.401 -5.196 1.00 0.00 C ATOM 1118 OG SER A 71 -3.143 6.179 -4.044 1.00 0.00 O ATOM 0 H SER A 71 -2.152 7.650 -5.891 1.00 0.00 H new ATOM 0 HA SER A 71 -0.793 5.410 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.669 5.624 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.008 4.344 -4.949 1.00 0.00 H new ATOM 0 HG SER A 71 -3.359 7.098 -4.308 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.995 5.057 -8.101 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.809 4.313 -9.337 1.00 0.00 C ATOM 1126 C LYS A 72 -0.338 4.329 -9.779 1.00 0.00 C ATOM 1127 O LYS A 72 0.207 3.291 -10.130 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.760 4.811 -10.441 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.788 3.755 -10.885 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.124 2.457 -11.380 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.049 1.588 -12.247 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.998 1.965 -13.675 1.00 0.00 N ATOM 0 H LYS A 72 -2.721 5.772 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.070 3.272 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.289 5.694 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.172 5.120 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.451 3.525 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.408 4.168 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.233 2.710 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.794 1.876 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.766 0.541 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.073 1.680 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.638 1.352 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.294 2.956 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.027 1.853 -14.029 1.00 0.00 H new ATOM 1146 N THR A 73 0.335 5.473 -9.712 1.00 0.00 N ATOM 1147 CA THR A 73 1.759 5.585 -9.993 1.00 0.00 C ATOM 1148 C THR A 73 2.643 4.677 -9.110 1.00 0.00 C ATOM 1149 O THR A 73 3.767 4.370 -9.498 1.00 0.00 O ATOM 1150 CB THR A 73 2.111 7.076 -9.910 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.485 7.729 -10.997 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.606 7.356 -9.926 1.00 0.00 C ATOM 0 H THR A 73 -0.101 6.359 -9.457 1.00 0.00 H new ATOM 0 HA THR A 73 1.975 5.210 -10.993 1.00 0.00 H new ATOM 0 HB THR A 73 1.753 7.451 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.693 8.686 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.776 8.431 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.077 6.865 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.038 6.973 -10.851 1.00 0.00 H new ATOM 1160 N TYR A 74 2.151 4.213 -7.956 1.00 0.00 N ATOM 1161 CA TYR A 74 2.853 3.295 -7.058 1.00 0.00 C ATOM 1162 C TYR A 74 2.302 1.869 -7.145 1.00 0.00 C ATOM 1163 O TYR A 74 2.681 0.999 -6.357 1.00 0.00 O ATOM 1164 CB TYR A 74 2.744 3.815 -5.621 1.00 0.00 C ATOM 1165 CG TYR A 74 3.539 5.077 -5.350 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.913 5.122 -5.650 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.905 6.220 -4.833 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.597 6.348 -5.625 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.609 7.432 -4.744 1.00 0.00 C ATOM 1170 CZ TYR A 74 4.929 7.513 -5.218 1.00 0.00 C ATOM 1171 OH TYR A 74 5.573 8.711 -5.276 1.00 0.00 O ATOM 0 H TYR A 74 1.227 4.475 -7.613 1.00 0.00 H new ATOM 0 HA TYR A 74 3.898 3.254 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.695 4.005 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.080 3.035 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.441 4.214 -5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.878 6.166 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.635 6.394 -5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.136 8.301 -4.311 1.00 0.00 H new ATOM 0 HH TYR A 74 5.662 9.079 -4.372 1.00 0.00 H new ATOM 1181 N ILE A 75 1.380 1.622 -8.075 1.00 0.00 N ATOM 1182 CA ILE A 75 0.766 0.317 -8.255 1.00 0.00 C ATOM 1183 C ILE A 75 1.844 -0.681 -8.652 1.00 0.00 C ATOM 1184 O ILE A 75 2.549 -0.479 -9.640 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.386 0.421 -9.270 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.485 -0.633 -9.055 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.067 0.444 -10.742 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -1.022 -2.082 -9.135 1.00 0.00 C ATOM 0 H ILE A 75 1.039 2.329 -8.726 1.00 0.00 H new ATOM 0 HA ILE A 75 0.321 -0.043 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.821 1.399 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.938 -0.467 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.266 -0.477 -9.799 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.806 0.519 -11.390 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.718 1.302 -10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.611 -0.473 -10.970 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.871 -2.745 -8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.598 -2.275 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.265 -2.265 -8.372 1.00 0.00 H new ATOM 1200 N ILE A 76 1.982 -1.755 -7.877 1.00 0.00 N ATOM 1201 CA ILE A 76 2.861 -2.846 -8.254 1.00 0.00 C ATOM 1202 C ILE A 76 2.047 -3.933 -8.939 1.00 0.00 C ATOM 1203 O ILE A 76 2.405 -4.361 -10.031 1.00 0.00 O ATOM 1204 CB ILE A 76 3.689 -3.335 -7.058 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.831 -3.931 -5.929 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.547 -2.161 -6.574 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.631 -4.162 -4.653 1.00 0.00 C ATOM 0 H ILE A 76 1.497 -1.888 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 76 3.600 -2.500 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 76 4.325 -4.160 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.998 -3.261 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.402 -4.876 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.149 -2.477 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.203 -1.833 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.900 -1.336 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.980 -4.584 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.448 -4.854 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.038 -3.214 -4.302 1.00 0.00 H new ATOM 1219 N GLY A 77 0.940 -4.353 -8.325 1.00 0.00 N ATOM 1220 CA GLY A 77 0.157 -5.493 -8.759 1.00 0.00 C ATOM 1221 C GLY A 77 -1.102 -5.568 -7.904 1.00 0.00 C ATOM 1222 O GLY A 77 -1.537 -4.541 -7.386 1.00 0.00 O ATOM 0 H GLY A 77 0.561 -3.895 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.106 -5.393 -9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.737 -6.411 -8.661 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.703 -6.751 -7.757 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.082 -6.861 -7.291 1.00 0.00 C ATOM 1228 C GLU A 78 -3.254 -7.937 -6.219 1.00 0.00 C ATOM 1229 O GLU A 78 -2.419 -8.825 -6.074 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.020 -7.045 -8.494 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.912 -5.863 -9.475 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.023 -5.851 -10.519 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.426 -6.957 -10.942 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.448 -4.733 -10.880 1.00 0.00 O ATOM 0 H GLU A 78 -1.254 -7.645 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.357 -5.931 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.774 -7.973 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.048 -7.138 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.938 -4.929 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.947 -5.904 -9.980 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.327 -7.833 -5.433 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.650 -8.824 -4.416 1.00 0.00 C ATOM 1243 C LEU A 79 -5.050 -10.127 -5.103 1.00 0.00 C ATOM 1244 O LEU A 79 -5.898 -10.099 -5.994 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.793 -8.292 -3.543 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.250 -7.370 -2.442 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.290 -6.303 -2.094 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.899 -8.206 -1.207 1.00 0.00 C ATOM 0 H LEU A 79 -4.992 -7.061 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.786 -9.015 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.507 -7.747 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.332 -9.126 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.350 -6.868 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.897 -5.653 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.513 -5.710 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.202 -6.785 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.513 -7.554 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.792 -8.716 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.141 -8.944 -1.470 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.428 -11.248 -4.714 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.656 -12.566 -5.302 1.00 0.00 C ATOM 1262 C HIS A 80 -6.150 -12.822 -5.544 1.00 0.00 C ATOM 1263 O HIS A 80 -6.958 -12.543 -4.655 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.051 -13.630 -4.377 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.719 -14.930 -5.057 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.182 -16.180 -4.713 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.797 -15.093 -6.059 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.587 -17.069 -5.526 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.740 -16.453 -6.366 1.00 0.00 N ATOM 0 H HIS A 80 -3.737 -11.259 -3.964 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.170 -12.614 -6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.144 -13.228 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.750 -13.827 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.219 -14.310 -6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.766 -18.134 -5.506 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.168 -16.893 -7.087 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.541 -13.348 -6.720 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.941 -13.512 -7.067 1.00 0.00 C ATOM 1279 C PRO A 81 -8.650 -14.456 -6.097 1.00 0.00 C ATOM 1280 O PRO A 81 -9.853 -14.322 -5.901 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.983 -13.987 -8.520 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.594 -14.567 -8.781 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.683 -13.878 -7.768 1.00 0.00 C ATOM 0 HA PRO A 81 -8.486 -12.572 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.759 -14.737 -8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.202 -13.163 -9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.586 -15.649 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.269 -14.370 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.961 -14.583 -7.356 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.113 -13.079 -8.242 1.00 0.00 H new ATOM 1291 N ASP A 82 -7.908 -15.370 -5.464 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.406 -16.207 -4.382 1.00 0.00 C ATOM 1293 C ASP A 82 -9.161 -15.349 -3.357 1.00 0.00 C ATOM 1294 O ASP A 82 -10.386 -15.400 -3.265 1.00 0.00 O ATOM 1295 CB ASP A 82 -7.211 -16.942 -3.759 1.00 0.00 C ATOM 1296 CG ASP A 82 -7.610 -18.033 -2.779 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -8.826 -18.213 -2.563 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -6.666 -18.676 -2.276 1.00 0.00 O ATOM 0 H ASP A 82 -6.931 -15.547 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.115 -16.946 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.611 -17.382 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.578 -16.218 -3.246 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.433 -14.472 -2.664 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.009 -13.560 -1.688 1.00 0.00 C ATOM 1305 C ASP A 83 -9.909 -12.531 -2.364 1.00 0.00 C ATOM 1306 O ASP A 83 -11.069 -12.374 -1.994 1.00 0.00 O ATOM 1307 CB ASP A 83 -7.886 -12.868 -0.917 1.00 0.00 C ATOM 1308 CG ASP A 83 -8.464 -11.838 0.043 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.108 -12.277 1.017 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -8.251 -10.636 -0.224 1.00 0.00 O ATOM 0 H ASP A 83 -7.423 -14.378 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.625 -14.131 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.306 -13.607 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.202 -12.383 -1.614 1.00 0.00 H new ATOM 1315 N ARG A 84 -9.392 -11.835 -3.381 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.108 -10.742 -4.029 1.00 0.00 C ATOM 1317 C ARG A 84 -11.470 -11.180 -4.582 1.00 0.00 C ATOM 1318 O ARG A 84 -12.390 -10.361 -4.665 1.00 0.00 O ATOM 1319 CB ARG A 84 -9.198 -10.080 -5.074 1.00 0.00 C ATOM 1320 CG ARG A 84 -9.886 -9.038 -5.969 1.00 0.00 C ATOM 1321 CD ARG A 84 -10.497 -9.637 -7.251 1.00 0.00 C ATOM 1322 NE ARG A 84 -11.970 -9.658 -7.223 1.00 0.00 N ATOM 1323 CZ ARG A 84 -12.754 -9.790 -8.306 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -12.199 -10.007 -9.504 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -14.084 -9.705 -8.189 1.00 0.00 N ATOM 0 H ARG A 84 -8.468 -12.016 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.353 -9.986 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.366 -9.601 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.773 -10.858 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.672 -8.543 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.161 -8.272 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.162 -9.059 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.126 -10.653 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.427 -9.566 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.185 -10.072 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.790 -10.108 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.506 -9.539 -7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.676 -9.806 -9.014 1.00 0.00 H new ATOM 1339 N SER A 85 -11.630 -12.442 -4.988 1.00 0.00 N ATOM 1340 CA SER A 85 -12.927 -12.945 -5.421 1.00 0.00 C ATOM 1341 C SER A 85 -13.945 -12.949 -4.276 1.00 0.00 C ATOM 1342 O SER A 85 -15.141 -12.823 -4.536 1.00 0.00 O ATOM 1343 CB SER A 85 -12.804 -14.337 -6.057 1.00 0.00 C ATOM 1344 OG SER A 85 -12.343 -15.301 -5.136 1.00 0.00 O ATOM 0 H SER A 85 -10.877 -13.129 -5.024 1.00 0.00 H new ATOM 0 HA SER A 85 -13.298 -12.261 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.774 -14.644 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.120 -14.289 -6.904 1.00 0.00 H new ATOM 0 HG SER A 85 -11.507 -14.991 -4.729 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.493 -13.111 -3.027 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.356 -13.369 -1.885 1.00 0.00 C ATOM 1352 C LYS A 86 -13.785 -12.748 -0.606 1.00 0.00 C ATOM 1353 O LYS A 86 -13.658 -13.427 0.411 1.00 0.00 O ATOM 1354 CB LYS A 86 -14.545 -14.887 -1.781 1.00 0.00 C ATOM 1355 CG LYS A 86 -15.704 -15.269 -0.850 1.00 0.00 C ATOM 1356 CD LYS A 86 -16.575 -16.357 -1.499 1.00 0.00 C ATOM 1357 CE LYS A 86 -17.276 -17.220 -0.447 1.00 0.00 C ATOM 1358 NZ LYS A 86 -16.334 -18.178 0.167 1.00 0.00 N ATOM 0 H LYS A 86 -12.503 -13.065 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.330 -12.898 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.730 -15.296 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.624 -15.341 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.312 -15.628 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.310 -14.389 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.320 -15.891 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.955 -16.989 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.705 -16.581 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.102 -17.762 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.858 -18.839 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.843 -18.709 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.636 -17.661 0.739 1.00 0.00 H new ATOM 1372 N ILE A 87 -13.504 -11.442 -0.675 1.00 0.00 N ATOM 1373 CA ILE A 87 -12.861 -10.625 0.353 1.00 0.00 C ATOM 1374 C ILE A 87 -13.299 -11.009 1.771 1.00 0.00 C ATOM 1375 O ILE A 87 -12.487 -11.404 2.602 1.00 0.00 O ATOM 1376 CB ILE A 87 -13.143 -9.141 0.033 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -12.502 -8.752 -1.315 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -12.652 -8.200 1.142 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -13.559 -8.319 -2.334 1.00 0.00 C ATOM 0 H ILE A 87 -13.736 -10.895 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.786 -10.805 0.336 1.00 0.00 H new ATOM 0 HB ILE A 87 -14.225 -9.028 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.790 -7.941 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.940 -9.598 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -12.874 -7.168 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.157 -8.444 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.576 -8.318 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.072 -8.052 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.255 -9.140 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.103 -7.457 -1.949 1.00 0.00 H new ATOM 1391 N ALA A 88 -14.595 -10.874 2.058 1.00 0.00 N ATOM 1392 CA ALA A 88 -15.194 -11.204 3.339 1.00 0.00 C ATOM 1393 C ALA A 88 -16.707 -11.122 3.160 1.00 0.00 C ATOM 1394 O ALA A 88 -17.173 -10.575 2.162 1.00 0.00 O ATOM 1395 CB ALA A 88 -14.703 -10.231 4.419 1.00 0.00 C ATOM 0 H ALA A 88 -15.271 -10.521 1.381 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.910 -12.206 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.159 -10.488 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.618 -10.299 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.982 -9.213 4.146 1.00 0.00 H new ATOM 1401 N LYS A 89 -17.477 -11.665 4.109 1.00 0.00 N ATOM 1402 CA LYS A 89 -18.919 -11.466 4.132 1.00 0.00 C ATOM 1403 C LYS A 89 -19.203 -10.069 4.706 1.00 0.00 C ATOM 1404 O LYS A 89 -18.845 -9.828 5.857 1.00 0.00 O ATOM 1405 CB LYS A 89 -19.606 -12.531 5.006 1.00 0.00 C ATOM 1406 CG LYS A 89 -19.833 -13.891 4.325 1.00 0.00 C ATOM 1407 CD LYS A 89 -18.667 -14.877 4.495 1.00 0.00 C ATOM 1408 CE LYS A 89 -19.148 -16.330 4.326 1.00 0.00 C ATOM 1409 NZ LYS A 89 -19.785 -16.861 5.555 1.00 0.00 N ATOM 0 H LYS A 89 -17.120 -12.245 4.869 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.312 -11.554 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -19.004 -12.687 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -20.570 -12.142 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.739 -14.342 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.006 -13.729 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.891 -14.659 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.219 -14.750 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.858 -16.381 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.301 -16.961 4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.092 -17.841 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.101 -16.838 6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.610 -16.276 5.799 1.00 0.00 H new ATOM 1423 N PRO A 90 -19.839 -9.153 3.958 1.00 0.00 N ATOM 1424 CA PRO A 90 -20.251 -7.870 4.500 1.00 0.00 C ATOM 1425 C PRO A 90 -21.467 -8.097 5.398 1.00 0.00 C ATOM 1426 O PRO A 90 -22.485 -8.621 4.947 1.00 0.00 O ATOM 1427 CB PRO A 90 -20.582 -7.006 3.281 1.00 0.00 C ATOM 1428 CG PRO A 90 -21.031 -8.015 2.223 1.00 0.00 C ATOM 1429 CD PRO A 90 -20.273 -9.298 2.577 1.00 0.00 C ATOM 0 HA PRO A 90 -19.490 -7.382 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -21.369 -6.285 3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.714 -6.437 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -22.110 -8.169 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -20.786 -7.673 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -20.914 -10.172 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -19.419 -9.439 1.915 1.00 0.00 H new ATOM 1437 N SER A 91 -21.368 -7.743 6.680 1.00 0.00 N ATOM 1438 CA SER A 91 -22.433 -7.872 7.663 1.00 0.00 C ATOM 1439 C SER A 91 -22.064 -6.944 8.812 1.00 0.00 C ATOM 1440 O SER A 91 -20.916 -6.982 9.246 1.00 0.00 O ATOM 1441 CB SER A 91 -22.531 -9.314 8.184 1.00 0.00 C ATOM 1442 OG SER A 91 -22.892 -10.223 7.160 1.00 0.00 O ATOM 0 H SER A 91 -20.514 -7.346 7.071 1.00 0.00 H new ATOM 0 HA SER A 91 -23.396 -7.618 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.574 -9.611 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.267 -9.361 8.987 1.00 0.00 H new ATOM 0 HG SER A 91 -22.938 -9.749 6.303 1.00 0.00 H new ATOM 1448 N GLU A 92 -23.014 -6.113 9.264 1.00 0.00 N ATOM 1449 CA GLU A 92 -22.844 -5.179 10.376 1.00 0.00 C ATOM 1450 C GLU A 92 -21.509 -4.412 10.307 1.00 0.00 C ATOM 1451 O GLU A 92 -20.913 -4.070 11.326 1.00 0.00 O ATOM 1452 CB GLU A 92 -23.149 -5.875 11.723 1.00 0.00 C ATOM 1453 CG GLU A 92 -22.676 -7.336 11.832 1.00 0.00 C ATOM 1454 CD GLU A 92 -23.061 -7.991 13.153 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -23.366 -7.242 14.107 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -23.058 -9.241 13.174 1.00 0.00 O ATOM 0 H GLU A 92 -23.946 -6.074 8.852 1.00 0.00 H new ATOM 0 HA GLU A 92 -23.586 -4.385 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -22.684 -5.300 12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.225 -5.845 11.893 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.101 -7.912 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.593 -7.371 11.718 1.00 0.00 H new ATOM 1463 N THR A 93 -21.069 -4.100 9.083 1.00 0.00 N ATOM 1464 CA THR A 93 -19.857 -3.348 8.817 1.00 0.00 C ATOM 1465 C THR A 93 -20.175 -1.854 8.931 1.00 0.00 C ATOM 1466 O THR A 93 -21.248 -1.418 8.510 1.00 0.00 O ATOM 1467 CB THR A 93 -19.334 -3.708 7.412 1.00 0.00 C ATOM 1468 OG1 THR A 93 -19.419 -5.105 7.167 1.00 0.00 O ATOM 1469 CG2 THR A 93 -17.880 -3.260 7.232 1.00 0.00 C ATOM 0 H THR A 93 -21.565 -4.374 8.235 1.00 0.00 H new ATOM 0 HA THR A 93 -19.079 -3.595 9.539 1.00 0.00 H new ATOM 0 HB THR A 93 -19.967 -3.182 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 93 -19.082 -5.301 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 93 -17.538 -3.527 6.232 1.00 0.00 H new ATOM 0 HG22 THR A 93 -17.813 -2.180 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 93 -17.253 -3.754 7.974 1.00 0.00 H new ATOM 1477 N LEU A 94 -19.245 -1.078 9.481 1.00 0.00 N ATOM 1478 CA LEU A 94 -19.255 0.371 9.555 1.00 0.00 C ATOM 1479 C LEU A 94 -17.807 0.752 9.270 1.00 0.00 C ATOM 1480 O LEU A 94 -16.951 -0.108 9.587 1.00 0.00 O ATOM 1481 CB LEU A 94 -19.722 0.805 10.955 1.00 0.00 C ATOM 1482 CG LEU A 94 -19.475 2.296 11.261 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -20.694 2.917 11.952 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -18.247 2.464 12.166 1.00 0.00 C ATOM 1485 OXT LEU A 94 -17.592 1.849 8.715 1.00 0.00 O ATOM 0 H LEU A 94 -18.412 -1.476 9.914 1.00 0.00 H new ATOM 0 HA LEU A 94 -19.935 0.857 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -20.787 0.596 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -19.208 0.201 11.702 1.00 0.00 H new ATOM 0 HG LEU A 94 -19.300 2.805 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -20.498 3.969 12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -21.564 2.831 11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -20.888 2.393 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -18.088 3.523 12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -18.411 1.933 13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -17.368 2.056 11.667 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.956 12.638 3.050 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.742 10.055 -0.962 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.135 5.942 1.696 1.00 0.00 C HETATM 1501 CHD HEM A 96 -1.641 8.598 5.806 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.674 12.253 1.735 1.00 0.00 C HETATM 1503 C2A HEM A 96 -1.737 13.149 0.606 1.00 0.00 C HETATM 1504 C3A HEM A 96 -1.276 12.459 -0.494 1.00 0.00 C HETATM 1505 C4A HEM A 96 -1.081 11.090 -0.087 1.00 0.00 C HETATM 1506 CMA HEM A 96 -1.046 13.000 -1.882 1.00 0.00 C HETATM 1507 CAA HEM A 96 -2.278 14.558 0.665 1.00 0.00 C HETATM 1508 CBA HEM A 96 -3.798 14.598 0.911 1.00 0.00 C HETATM 1509 CGA HEM A 96 -4.599 14.492 -0.384 1.00 0.00 C HETATM 1510 O1A HEM A 96 -4.546 15.486 -1.139 1.00 0.00 O HETATM 1511 O2A HEM A 96 -5.254 13.445 -0.599 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.741 8.718 -0.568 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.528 7.603 -1.461 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.721 6.471 -0.710 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.953 6.847 0.658 1.00 0.00 C HETATM 1516 CMB HEM A 96 -0.203 7.674 -2.929 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.480 5.047 -1.159 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.042 4.513 -2.259 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.299 6.318 3.030 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.502 5.392 4.120 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.581 6.147 5.268 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.503 7.540 4.910 1.00 0.00 C HETATM 1523 CMC HEM A 96 -1.663 3.902 4.000 1.00 0.00 C HETATM 1524 CAC HEM A 96 -1.811 5.647 6.684 1.00 0.00 C HETATM 1525 CBC HEM A 96 -2.141 4.372 6.989 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.737 9.928 5.400 1.00 0.00 C HETATM 1527 C2D HEM A 96 -1.962 11.033 6.297 1.00 0.00 C HETATM 1528 C3D HEM A 96 -2.078 12.170 5.528 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.896 11.778 4.148 1.00 0.00 C HETATM 1530 CMD HEM A 96 -2.134 10.936 7.796 1.00 0.00 C HETATM 1531 CAD HEM A 96 -2.393 13.550 6.061 1.00 0.00 C HETATM 1532 CBD HEM A 96 -1.361 14.084 7.062 1.00 0.00 C HETATM 1533 CGD HEM A 96 -2.033 14.947 8.121 1.00 0.00 C HETATM 1534 O1D HEM A 96 -2.735 14.352 8.967 1.00 0.00 O HETATM 1535 O2D HEM A 96 -1.846 16.180 8.057 1.00 0.00 O HETATM 1536 NA HEM A 96 -1.327 11.027 1.259 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.961 8.210 0.694 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.333 7.585 3.550 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.675 10.438 4.134 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.288 9.334 2.400 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 -1.723 13.835 -2.064 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 -1.234 12.215 -2.614 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -0.015 13.342 -1.973 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.397 6.809 -3.211 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.357 8.587 -3.134 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -1.127 7.678 -3.507 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -1.279 3.421 4.899 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -1.108 3.545 3.132 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -2.719 3.659 3.881 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -2.584 9.976 8.049 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -2.781 11.743 8.141 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -1.161 11.019 8.280 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -0.830 3.479 -2.532 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.709 5.114 -2.877 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -2.291 4.082 8.029 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -2.257 3.634 6.195 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -4.057 15.526 1.420 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -4.077 13.781 1.576 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -2.051 15.070 -0.270 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -1.770 15.105 1.459 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -0.606 14.668 6.536 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -0.845 13.251 7.539 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -3.371 13.528 6.541 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -2.464 14.244 5.223 1.00 0.00 H new HETATM 0 HHA HEM A 96 -2.238 13.665 3.227 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.471 10.299 -1.979 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.150 4.889 1.457 1.00 0.00 H new HETATM 0 HHD HEM A 96 -1.675 8.378 6.863 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.183 4.421 -0.561 1.00 0.00 H new HETATM 0 HAC HEM A 96 -1.704 6.359 7.503 1.00 0.00 H new