USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -7:sc= -1.48 USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -4.47! (180deg=-2.23!) USER MOD Set 2.1: A 53 GLN : amide:sc= -10.6! C(o=-22!,f=-30!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -11.7! (180deg=-6.44!) USER MOD Set 3.1: A 31 TYR OH : rot -130:sc= -0.892 USER MOD Set 3.2: A 92 THR OG1 : rot 135:sc= -0.456! USER MOD Set 4.1: A 25 THR OG1 : rot -56:sc= 1.84 USER MOD Set 4.2: A 37 THR OG1 : rot 12:sc= 1.48 USER MOD Set 5.1: A 21 ASN : amide:sc= 0.244 X(o=-0.65,f=-0.59) USER MOD Set 5.2: A 24 SER OG : rot 96:sc= -0.89 USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.00366) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 17 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-7.7!) USER MOD Single : A 20 ASN : amide:sc= -5.21! C(o=-5.2!,f=-4.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 19:sc= 0.514 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 14:sc= 0.735 USER MOD Single : A 61 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 68 SER OG : rot -105:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -91:sc= 0.848 USER MOD Single : A 84 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-11!) USER MOD Single : A 89 SER OG : rot -0:sc= 0.759! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00493) USER MOD Single : A 95 SER OG : rot 60:sc= 1.24 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0098 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.48! (180deg=-5.48!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 25.553 4.514 -35.241 1.00 0.00 N ATOM 2 CA ALA A 1 26.945 4.871 -35.453 1.00 0.00 C ATOM 3 C ALA A 1 27.829 4.047 -34.514 1.00 0.00 C ATOM 4 O ALA A 1 28.733 3.346 -34.963 1.00 0.00 O ATOM 5 CB ALA A 1 27.123 6.377 -35.248 1.00 0.00 C ATOM 0 H1 ALA A 1 24.953 5.048 -35.902 1.00 0.00 H new ATOM 0 H2 ALA A 1 25.427 3.495 -35.405 1.00 0.00 H new ATOM 0 H3 ALA A 1 25.281 4.743 -34.264 1.00 0.00 H new ATOM 0 HA ALA A 1 27.247 4.642 -36.475 1.00 0.00 H new ATOM 0 HB1 ALA A 1 28.168 6.645 -35.407 1.00 0.00 H new ATOM 0 HB2 ALA A 1 26.498 6.917 -35.959 1.00 0.00 H new ATOM 0 HB3 ALA A 1 26.831 6.643 -34.232 1.00 0.00 H new ATOM 11 N GLU A 2 27.533 4.159 -33.227 1.00 0.00 N ATOM 12 CA GLU A 2 28.289 3.431 -32.221 1.00 0.00 C ATOM 13 C GLU A 2 27.448 2.288 -31.649 1.00 0.00 C ATOM 14 O GLU A 2 27.842 1.126 -31.725 1.00 0.00 O ATOM 15 CB GLU A 2 28.767 4.370 -31.110 1.00 0.00 C ATOM 16 CG GLU A 2 30.069 3.863 -30.487 1.00 0.00 C ATOM 17 CD GLU A 2 30.280 4.460 -29.094 1.00 0.00 C ATOM 18 OE1 GLU A 2 30.723 5.628 -29.037 1.00 0.00 O ATOM 19 OE2 GLU A 2 29.990 3.736 -28.117 1.00 0.00 O ATOM 0 H GLU A 2 26.782 4.742 -32.858 1.00 0.00 H new ATOM 0 HA GLU A 2 29.172 3.003 -32.696 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.919 5.371 -31.515 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.999 4.450 -30.341 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.045 2.775 -30.420 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.910 4.124 -31.130 1.00 0.00 H new ATOM 26 N GLU A 3 26.306 2.659 -31.089 1.00 0.00 N ATOM 27 CA GLU A 3 25.407 1.679 -30.505 1.00 0.00 C ATOM 28 C GLU A 3 24.157 2.367 -29.954 1.00 0.00 C ATOM 29 O GLU A 3 24.169 3.569 -29.693 1.00 0.00 O ATOM 30 CB GLU A 3 26.112 0.869 -29.414 1.00 0.00 C ATOM 31 CG GLU A 3 25.890 -0.631 -29.614 1.00 0.00 C ATOM 32 CD GLU A 3 26.830 -1.448 -28.725 1.00 0.00 C ATOM 33 OE1 GLU A 3 28.012 -1.052 -28.637 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.345 -2.449 -28.156 1.00 0.00 O ATOM 0 H GLU A 3 25.983 3.625 -31.027 1.00 0.00 H new ATOM 0 HA GLU A 3 25.101 0.985 -31.287 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.180 1.087 -29.427 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.738 1.168 -28.435 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.855 -0.883 -29.383 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.056 -0.890 -30.660 1.00 0.00 H new ATOM 41 N SER A 4 23.106 1.576 -29.796 1.00 0.00 N ATOM 42 CA SER A 4 21.850 2.093 -29.282 1.00 0.00 C ATOM 43 C SER A 4 20.794 0.986 -29.264 1.00 0.00 C ATOM 44 O SER A 4 20.915 -0.003 -29.985 1.00 0.00 O ATOM 45 CB SER A 4 21.360 3.280 -30.116 1.00 0.00 C ATOM 46 OG SER A 4 20.938 4.369 -29.299 1.00 0.00 O ATOM 0 H SER A 4 23.099 0.580 -30.015 1.00 0.00 H new ATOM 0 HA SER A 4 22.017 2.443 -28.263 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.159 3.612 -30.778 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.533 2.961 -30.750 1.00 0.00 H new ATOM 0 HG SER A 4 20.634 5.107 -29.868 1.00 0.00 H new ATOM 52 N SER A 5 19.783 1.189 -28.433 1.00 0.00 N ATOM 53 CA SER A 5 18.707 0.220 -28.311 1.00 0.00 C ATOM 54 C SER A 5 17.634 0.745 -27.356 1.00 0.00 C ATOM 55 O SER A 5 17.855 1.728 -26.650 1.00 0.00 O ATOM 56 CB SER A 5 19.235 -1.131 -27.827 1.00 0.00 C ATOM 57 OG SER A 5 19.760 -1.055 -26.504 1.00 0.00 O ATOM 0 H SER A 5 19.686 2.011 -27.837 1.00 0.00 H new ATOM 0 HA SER A 5 18.265 0.074 -29.297 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.431 -1.866 -27.857 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.012 -1.481 -28.506 1.00 0.00 H new ATOM 0 HG SER A 5 20.086 -1.938 -26.230 1.00 0.00 H new ATOM 63 N LYS A 6 16.496 0.066 -27.363 1.00 0.00 N ATOM 64 CA LYS A 6 15.389 0.451 -26.505 1.00 0.00 C ATOM 65 C LYS A 6 14.205 -0.482 -26.759 1.00 0.00 C ATOM 66 O LYS A 6 13.676 -0.534 -27.868 1.00 0.00 O ATOM 67 CB LYS A 6 15.057 1.933 -26.693 1.00 0.00 C ATOM 68 CG LYS A 6 14.950 2.287 -28.179 1.00 0.00 C ATOM 69 CD LYS A 6 14.435 3.715 -28.366 1.00 0.00 C ATOM 70 CE LYS A 6 13.358 3.771 -29.452 1.00 0.00 C ATOM 71 NZ LYS A 6 12.150 4.462 -28.947 1.00 0.00 N ATOM 0 H LYS A 6 16.317 -0.749 -27.950 1.00 0.00 H new ATOM 0 HA LYS A 6 15.663 0.340 -25.456 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.117 2.165 -26.192 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.828 2.544 -26.224 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.926 2.184 -28.652 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.279 1.586 -28.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.027 4.085 -27.425 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.262 4.372 -28.635 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.743 4.292 -30.328 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.100 2.761 -29.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.429 4.492 -29.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.774 3.948 -28.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.397 5.432 -28.666 1.00 0.00 H new ATOM 85 N ALA A 7 13.821 -1.198 -25.711 1.00 0.00 N ATOM 86 CA ALA A 7 12.708 -2.126 -25.806 1.00 0.00 C ATOM 87 C ALA A 7 12.728 -3.064 -24.598 1.00 0.00 C ATOM 88 O ALA A 7 13.038 -4.248 -24.731 1.00 0.00 O ATOM 89 CB ALA A 7 12.787 -2.883 -27.134 1.00 0.00 C ATOM 0 H ALA A 7 14.262 -1.153 -24.792 1.00 0.00 H new ATOM 0 HA ALA A 7 11.759 -1.591 -25.792 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.952 -3.580 -27.206 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.740 -2.174 -27.960 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.725 -3.435 -27.183 1.00 0.00 H new ATOM 95 N VAL A 8 12.394 -2.502 -23.446 1.00 0.00 N ATOM 96 CA VAL A 8 12.370 -3.274 -22.215 1.00 0.00 C ATOM 97 C VAL A 8 11.890 -4.694 -22.518 1.00 0.00 C ATOM 98 O VAL A 8 12.638 -5.656 -22.348 1.00 0.00 O ATOM 99 CB VAL A 8 11.510 -2.563 -21.168 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.584 -1.536 -21.825 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.711 -3.570 -20.340 1.00 0.00 C ATOM 0 H VAL A 8 12.138 -1.521 -23.339 1.00 0.00 H new ATOM 0 HA VAL A 8 13.372 -3.353 -21.794 1.00 0.00 H new ATOM 0 HB VAL A 8 12.178 -2.029 -20.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.984 -1.045 -21.059 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.181 -0.791 -22.351 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.927 -2.040 -22.534 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.108 -3.039 -19.603 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.058 -4.144 -20.997 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.396 -4.246 -19.829 1.00 0.00 H new ATOM 111 N LYS A 9 10.645 -4.782 -22.962 1.00 0.00 N ATOM 112 CA LYS A 9 10.056 -6.068 -23.292 1.00 0.00 C ATOM 113 C LYS A 9 9.613 -6.766 -22.003 1.00 0.00 C ATOM 114 O LYS A 9 8.456 -7.166 -21.877 1.00 0.00 O ATOM 115 CB LYS A 9 11.022 -6.900 -24.137 1.00 0.00 C ATOM 116 CG LYS A 9 10.367 -7.333 -25.452 1.00 0.00 C ATOM 117 CD LYS A 9 11.236 -8.359 -26.184 1.00 0.00 C ATOM 118 CE LYS A 9 11.153 -8.164 -27.699 1.00 0.00 C ATOM 119 NZ LYS A 9 10.813 -9.439 -28.368 1.00 0.00 N ATOM 0 H LYS A 9 10.027 -3.982 -23.101 1.00 0.00 H new ATOM 0 HA LYS A 9 9.166 -5.932 -23.907 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.920 -6.319 -24.348 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.336 -7.780 -23.576 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.385 -7.761 -25.250 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.211 -6.462 -26.089 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.271 -8.263 -25.857 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.912 -9.367 -25.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.400 -7.411 -27.934 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.105 -7.791 -28.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.761 -9.289 -29.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.545 -10.147 -28.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.894 -9.779 -28.021 1.00 0.00 H new ATOM 133 N TYR A 10 10.555 -6.890 -21.081 1.00 0.00 N ATOM 134 CA TYR A 10 10.276 -7.531 -19.807 1.00 0.00 C ATOM 135 C TYR A 10 10.882 -6.737 -18.648 1.00 0.00 C ATOM 136 O TYR A 10 12.101 -6.599 -18.557 1.00 0.00 O ATOM 137 CB TYR A 10 10.943 -8.906 -19.871 1.00 0.00 C ATOM 138 CG TYR A 10 11.726 -9.157 -21.162 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.949 -8.548 -21.356 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.209 -9.993 -22.131 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.686 -8.785 -22.571 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.946 -10.230 -23.345 1.00 0.00 C ATOM 143 CZ TYR A 10 13.148 -9.615 -23.506 1.00 0.00 C ATOM 144 OH TYR A 10 13.845 -9.838 -24.652 1.00 0.00 O ATOM 0 H TYR A 10 11.513 -6.557 -21.190 1.00 0.00 H new ATOM 0 HA TYR A 10 9.201 -7.595 -19.638 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.618 -9.011 -19.022 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.178 -9.675 -19.767 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.353 -7.894 -20.598 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.252 -10.469 -21.979 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.644 -8.315 -22.736 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.553 -10.882 -24.111 1.00 0.00 H new ATOM 0 HH TYR A 10 13.341 -10.451 -25.227 1.00 0.00 H new ATOM 154 N TYR A 11 10.004 -6.235 -17.792 1.00 0.00 N ATOM 155 CA TYR A 11 10.437 -5.458 -16.644 1.00 0.00 C ATOM 156 C TYR A 11 9.881 -6.042 -15.344 1.00 0.00 C ATOM 157 O TYR A 11 8.990 -6.891 -15.373 1.00 0.00 O ATOM 158 CB TYR A 11 9.865 -4.054 -16.843 1.00 0.00 C ATOM 159 CG TYR A 11 10.906 -3.010 -17.250 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.064 -3.402 -17.890 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.687 -1.675 -16.976 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.044 -2.420 -18.274 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.667 -0.691 -17.360 1.00 0.00 C ATOM 164 CZ TYR A 11 12.797 -1.112 -17.989 1.00 0.00 C ATOM 165 OH TYR A 11 13.724 -0.184 -18.351 1.00 0.00 O ATOM 0 H TYR A 11 8.994 -6.352 -17.871 1.00 0.00 H new ATOM 0 HA TYR A 11 11.524 -5.460 -16.570 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.088 -4.094 -17.606 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.386 -3.733 -15.918 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.235 -4.447 -18.103 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.781 -1.368 -16.474 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.954 -2.714 -18.776 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.508 0.357 -17.153 1.00 0.00 H new ATOM 0 HH TYR A 11 13.415 0.708 -18.086 1.00 0.00 H new ATOM 175 N THR A 12 10.429 -5.568 -14.235 1.00 0.00 N ATOM 176 CA THR A 12 9.998 -6.033 -12.928 1.00 0.00 C ATOM 177 C THR A 12 9.175 -4.954 -12.222 1.00 0.00 C ATOM 178 O THR A 12 9.399 -3.762 -12.430 1.00 0.00 O ATOM 179 CB THR A 12 11.241 -6.459 -12.145 1.00 0.00 C ATOM 180 OG1 THR A 12 11.907 -5.233 -11.856 1.00 0.00 O ATOM 181 CG2 THR A 12 12.241 -7.233 -13.007 1.00 0.00 C ATOM 0 H THR A 12 11.169 -4.866 -14.215 1.00 0.00 H new ATOM 0 HA THR A 12 9.338 -6.896 -13.013 1.00 0.00 H new ATOM 0 HB THR A 12 10.941 -7.075 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.724 -5.417 -11.348 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.104 -7.511 -12.402 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.765 -8.133 -13.396 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.567 -6.607 -13.838 1.00 0.00 H new ATOM 189 N LEU A 13 8.239 -5.409 -11.403 1.00 0.00 N ATOM 190 CA LEU A 13 7.382 -4.496 -10.666 1.00 0.00 C ATOM 191 C LEU A 13 8.226 -3.350 -10.106 1.00 0.00 C ATOM 192 O LEU A 13 7.770 -2.210 -10.047 1.00 0.00 O ATOM 193 CB LEU A 13 6.587 -5.253 -9.598 1.00 0.00 C ATOM 194 CG LEU A 13 5.153 -5.632 -9.973 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.360 -6.064 -8.738 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.465 -4.493 -10.728 1.00 0.00 C ATOM 0 H LEU A 13 8.055 -6.398 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 13 6.640 -4.051 -11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.129 -6.165 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.556 -4.643 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 13 5.190 -6.488 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.344 -6.328 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.842 -6.928 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.329 -5.244 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.447 -4.788 -10.983 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.438 -3.603 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.019 -4.275 -11.641 1.00 0.00 H new ATOM 208 N GLU A 14 9.443 -3.693 -9.710 1.00 0.00 N ATOM 209 CA GLU A 14 10.356 -2.706 -9.158 1.00 0.00 C ATOM 210 C GLU A 14 10.754 -1.693 -10.232 1.00 0.00 C ATOM 211 O GLU A 14 10.703 -0.485 -10.001 1.00 0.00 O ATOM 212 CB GLU A 14 11.590 -3.379 -8.553 1.00 0.00 C ATOM 213 CG GLU A 14 11.663 -3.134 -7.044 1.00 0.00 C ATOM 214 CD GLU A 14 13.114 -3.121 -6.562 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.893 -3.950 -7.078 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.413 -2.281 -5.683 1.00 0.00 O ATOM 0 H GLU A 14 9.818 -4.640 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 14 9.844 -2.173 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.558 -4.451 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.490 -2.994 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.187 -2.184 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.108 -3.911 -6.518 1.00 0.00 H new ATOM 223 N GLU A 15 11.145 -2.220 -11.382 1.00 0.00 N ATOM 224 CA GLU A 15 11.554 -1.376 -12.493 1.00 0.00 C ATOM 225 C GLU A 15 10.443 -0.383 -12.840 1.00 0.00 C ATOM 226 O GLU A 15 10.719 0.730 -13.288 1.00 0.00 O ATOM 227 CB GLU A 15 11.935 -2.219 -13.711 1.00 0.00 C ATOM 228 CG GLU A 15 13.126 -3.127 -13.398 1.00 0.00 C ATOM 229 CD GLU A 15 14.362 -2.705 -14.194 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.209 -2.511 -15.420 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.432 -2.585 -13.560 1.00 0.00 O ATOM 0 H GLU A 15 11.188 -3.222 -11.570 1.00 0.00 H new ATOM 0 HA GLU A 15 12.438 -0.814 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.083 -2.824 -14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.181 -1.565 -14.548 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.346 -3.089 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.872 -4.160 -13.635 1.00 0.00 H new ATOM 238 N ILE A 16 9.212 -0.818 -12.619 1.00 0.00 N ATOM 239 CA ILE A 16 8.059 0.019 -12.904 1.00 0.00 C ATOM 240 C ILE A 16 7.775 0.915 -11.696 1.00 0.00 C ATOM 241 O ILE A 16 7.394 2.074 -11.854 1.00 0.00 O ATOM 242 CB ILE A 16 6.865 -0.839 -13.327 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.288 -1.906 -14.339 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.724 0.033 -13.856 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.799 -3.291 -13.912 1.00 0.00 C ATOM 0 H ILE A 16 8.987 -1.740 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 16 8.265 0.676 -13.749 1.00 0.00 H new ATOM 0 HB ILE A 16 6.490 -1.361 -12.447 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.884 -1.661 -15.321 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.374 -1.913 -14.433 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.888 -0.601 -14.150 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.400 0.722 -13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.070 0.600 -14.720 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.113 -4.031 -14.648 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.224 -3.543 -12.940 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.711 -3.287 -13.842 1.00 0.00 H new ATOM 257 N GLN A 17 7.971 0.344 -10.516 1.00 0.00 N ATOM 258 CA GLN A 17 7.741 1.076 -9.283 1.00 0.00 C ATOM 259 C GLN A 17 8.623 2.325 -9.235 1.00 0.00 C ATOM 260 O GLN A 17 8.280 3.307 -8.578 1.00 0.00 O ATOM 261 CB GLN A 17 7.984 0.185 -8.063 1.00 0.00 C ATOM 262 CG GLN A 17 7.004 0.519 -6.937 1.00 0.00 C ATOM 263 CD GLN A 17 7.732 1.140 -5.742 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.870 0.819 -5.440 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.015 2.046 -5.084 1.00 0.00 N ATOM 0 H GLN A 17 8.287 -0.618 -10.388 1.00 0.00 H new ATOM 0 HA GLN A 17 6.698 1.391 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.876 -0.862 -8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.007 0.316 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.245 1.210 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.485 -0.386 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.068 2.267 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.412 2.520 -4.273 1.00 0.00 H new ATOM 274 N LYS A 18 9.742 2.247 -9.938 1.00 0.00 N ATOM 275 CA LYS A 18 10.676 3.359 -9.984 1.00 0.00 C ATOM 276 C LYS A 18 10.110 4.460 -10.882 1.00 0.00 C ATOM 277 O LYS A 18 10.146 5.637 -10.524 1.00 0.00 O ATOM 278 CB LYS A 18 12.066 2.875 -10.407 1.00 0.00 C ATOM 279 CG LYS A 18 12.249 2.993 -11.922 1.00 0.00 C ATOM 280 CD LYS A 18 13.554 2.333 -12.370 1.00 0.00 C ATOM 281 CE LYS A 18 14.461 3.336 -13.084 1.00 0.00 C ATOM 282 NZ LYS A 18 15.869 2.879 -13.050 1.00 0.00 N ATOM 0 H LYS A 18 10.024 1.431 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 18 10.802 3.791 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.830 3.462 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.203 1.838 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.407 2.524 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.251 4.044 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.073 1.921 -11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.333 1.499 -13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.137 3.457 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.378 4.313 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.471 3.572 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.180 2.787 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.946 1.957 -13.525 1.00 0.00 H new ATOM 296 N HIS A 19 9.598 4.040 -12.028 1.00 0.00 N ATOM 297 CA HIS A 19 9.023 4.975 -12.980 1.00 0.00 C ATOM 298 C HIS A 19 7.568 5.263 -12.602 1.00 0.00 C ATOM 299 O HIS A 19 6.666 4.514 -12.975 1.00 0.00 O ATOM 300 CB HIS A 19 9.171 4.455 -14.411 1.00 0.00 C ATOM 301 CG HIS A 19 10.481 4.825 -15.066 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.692 4.726 -16.431 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.645 5.294 -14.529 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.929 5.120 -16.692 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.518 5.470 -15.513 1.00 0.00 N ATOM 0 H HIS A 19 9.569 3.063 -12.320 1.00 0.00 H new ATOM 0 HA HIS A 19 9.567 5.919 -12.940 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.074 3.369 -14.404 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.352 4.845 -15.015 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.011 4.404 -17.118 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.825 5.489 -13.482 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.391 5.158 -17.668 1.00 0.00 H new ATOM 314 N ASN A 20 7.387 6.349 -11.865 1.00 0.00 N ATOM 315 CA ASN A 20 6.057 6.746 -11.432 1.00 0.00 C ATOM 316 C ASN A 20 5.935 8.269 -11.506 1.00 0.00 C ATOM 317 O ASN A 20 4.974 8.843 -10.996 1.00 0.00 O ATOM 318 CB ASN A 20 5.800 6.319 -9.986 1.00 0.00 C ATOM 319 CG ASN A 20 4.822 7.275 -9.299 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.176 8.032 -8.408 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.577 7.201 -9.759 1.00 0.00 N ATOM 0 H ASN A 20 8.138 6.966 -11.557 1.00 0.00 H new ATOM 0 HA ASN A 20 5.330 6.263 -12.085 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.398 5.306 -9.968 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.741 6.298 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.851 7.799 -9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.348 6.546 -10.506 1.00 0.00 H new ATOM 328 N ASN A 21 6.921 8.880 -12.144 1.00 0.00 N ATOM 329 CA ASN A 21 6.936 10.326 -12.291 1.00 0.00 C ATOM 330 C ASN A 21 6.311 10.704 -13.636 1.00 0.00 C ATOM 331 O ASN A 21 6.268 9.888 -14.555 1.00 0.00 O ATOM 332 CB ASN A 21 8.367 10.866 -12.264 1.00 0.00 C ATOM 333 CG ASN A 21 9.256 10.023 -11.350 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.986 9.148 -11.787 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.155 10.332 -10.061 1.00 0.00 N ATOM 0 H ASN A 21 7.716 8.400 -12.566 1.00 0.00 H new ATOM 0 HA ASN A 21 6.373 10.756 -11.463 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.777 10.869 -13.274 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.362 11.900 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.708 9.825 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.524 11.076 -9.763 1.00 0.00 H new ATOM 342 N SER A 22 5.843 11.941 -13.707 1.00 0.00 N ATOM 343 CA SER A 22 5.224 12.437 -14.924 1.00 0.00 C ATOM 344 C SER A 22 6.214 12.353 -16.088 1.00 0.00 C ATOM 345 O SER A 22 5.821 12.445 -17.250 1.00 0.00 O ATOM 346 CB SER A 22 4.735 13.876 -14.745 1.00 0.00 C ATOM 347 OG SER A 22 4.378 14.476 -15.989 1.00 0.00 O ATOM 0 H SER A 22 5.880 12.614 -12.942 1.00 0.00 H new ATOM 0 HA SER A 22 4.359 11.812 -15.147 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.874 13.886 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.516 14.468 -14.268 1.00 0.00 H new ATOM 0 HG SER A 22 4.070 15.393 -15.833 1.00 0.00 H new ATOM 353 N LYS A 23 7.479 12.177 -15.734 1.00 0.00 N ATOM 354 CA LYS A 23 8.528 12.080 -16.736 1.00 0.00 C ATOM 355 C LYS A 23 8.789 10.606 -17.053 1.00 0.00 C ATOM 356 O LYS A 23 9.191 10.268 -18.165 1.00 0.00 O ATOM 357 CB LYS A 23 9.775 12.841 -16.281 1.00 0.00 C ATOM 358 CG LYS A 23 10.552 12.043 -15.232 1.00 0.00 C ATOM 359 CD LYS A 23 11.953 12.624 -15.027 1.00 0.00 C ATOM 360 CE LYS A 23 12.998 11.829 -15.812 1.00 0.00 C ATOM 361 NZ LYS A 23 14.216 12.642 -16.023 1.00 0.00 N ATOM 0 H LYS A 23 7.801 12.099 -14.769 1.00 0.00 H new ATOM 0 HA LYS A 23 8.213 12.556 -17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.416 13.041 -17.139 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.485 13.807 -15.867 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.009 12.052 -14.287 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.629 11.002 -15.545 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.968 13.666 -15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.204 12.612 -13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.251 10.917 -15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.585 11.525 -16.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.915 12.088 -16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.972 13.500 -16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.618 12.911 -15.102 1.00 0.00 H new ATOM 375 N SER A 24 8.548 9.768 -16.054 1.00 0.00 N ATOM 376 CA SER A 24 8.752 8.337 -16.213 1.00 0.00 C ATOM 377 C SER A 24 7.550 7.573 -15.654 1.00 0.00 C ATOM 378 O SER A 24 7.639 6.961 -14.591 1.00 0.00 O ATOM 379 CB SER A 24 10.039 7.884 -15.520 1.00 0.00 C ATOM 380 OG SER A 24 10.646 8.939 -14.779 1.00 0.00 O ATOM 0 H SER A 24 8.214 10.052 -15.133 1.00 0.00 H new ATOM 0 HA SER A 24 8.849 8.121 -17.277 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.817 7.052 -14.851 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.742 7.514 -16.267 1.00 0.00 H new ATOM 0 HG SER A 24 10.365 8.884 -13.842 1.00 0.00 H new ATOM 386 N THR A 25 6.454 7.634 -16.395 1.00 0.00 N ATOM 387 CA THR A 25 5.236 6.954 -15.987 1.00 0.00 C ATOM 388 C THR A 25 5.205 5.531 -16.549 1.00 0.00 C ATOM 389 O THR A 25 5.073 5.340 -17.757 1.00 0.00 O ATOM 390 CB THR A 25 4.047 7.810 -16.429 1.00 0.00 C ATOM 391 OG1 THR A 25 4.563 9.138 -16.453 1.00 0.00 O ATOM 392 CG2 THR A 25 2.937 7.859 -15.377 1.00 0.00 C ATOM 0 H THR A 25 6.383 8.144 -17.276 1.00 0.00 H new ATOM 0 HA THR A 25 5.189 6.841 -14.904 1.00 0.00 H new ATOM 0 HB THR A 25 3.645 7.416 -17.362 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.930 9.362 -15.572 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.118 8.479 -15.741 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.571 6.850 -15.187 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.330 8.283 -14.453 1.00 0.00 H new ATOM 400 N TRP A 26 5.328 4.570 -15.647 1.00 0.00 N ATOM 401 CA TRP A 26 5.316 3.171 -16.036 1.00 0.00 C ATOM 402 C TRP A 26 4.304 2.442 -15.149 1.00 0.00 C ATOM 403 O TRP A 26 4.222 2.703 -13.951 1.00 0.00 O ATOM 404 CB TRP A 26 6.719 2.568 -15.961 1.00 0.00 C ATOM 405 CG TRP A 26 7.429 2.476 -17.314 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.679 1.379 -18.042 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.976 3.574 -18.075 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.342 1.688 -19.211 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.529 3.065 -19.232 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.001 4.952 -17.795 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.147 3.863 -20.203 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.623 5.736 -18.773 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.185 5.239 -19.944 1.00 0.00 C ATOM 0 H TRP A 26 5.437 4.733 -14.646 1.00 0.00 H new ATOM 0 HA TRP A 26 5.009 3.063 -17.076 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.326 3.169 -15.284 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.652 1.570 -15.529 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.397 0.378 -17.750 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.640 1.027 -19.929 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.574 5.372 -16.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.571 3.441 -21.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.670 6.802 -18.607 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.649 5.911 -20.651 1.00 0.00 H new ATOM 424 N LEU A 27 3.558 1.542 -15.775 1.00 0.00 N ATOM 425 CA LEU A 27 2.556 0.773 -15.057 1.00 0.00 C ATOM 426 C LEU A 27 2.310 -0.547 -15.790 1.00 0.00 C ATOM 427 O LEU A 27 2.815 -0.752 -16.892 1.00 0.00 O ATOM 428 CB LEU A 27 1.289 1.606 -14.849 1.00 0.00 C ATOM 429 CG LEU A 27 0.275 1.582 -15.995 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.981 1.516 -17.351 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.726 0.438 -15.816 1.00 0.00 C ATOM 0 H LEU A 27 3.628 1.329 -16.770 1.00 0.00 H new ATOM 0 HA LEU A 27 2.913 0.522 -14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.793 1.256 -13.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.583 2.641 -14.672 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.290 2.514 -15.970 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.238 1.500 -18.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.622 2.389 -17.470 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.587 0.611 -17.402 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.436 0.443 -16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.193 -0.513 -15.801 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.263 0.568 -14.876 1.00 0.00 H new ATOM 443 N ILE A 28 1.535 -1.409 -15.148 1.00 0.00 N ATOM 444 CA ILE A 28 1.216 -2.703 -15.725 1.00 0.00 C ATOM 445 C ILE A 28 -0.275 -2.754 -16.063 1.00 0.00 C ATOM 446 O ILE A 28 -1.110 -2.320 -15.270 1.00 0.00 O ATOM 447 CB ILE A 28 1.675 -3.831 -14.798 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.677 -3.316 -13.762 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.236 -5.007 -15.600 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.085 -3.235 -14.354 1.00 0.00 C ATOM 0 H ILE A 28 1.119 -1.236 -14.233 1.00 0.00 H new ATOM 0 HA ILE A 28 1.759 -2.847 -16.659 1.00 0.00 H new ATOM 0 HB ILE A 28 0.806 -4.198 -14.252 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.369 -2.331 -13.411 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.681 -3.976 -12.895 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.555 -5.794 -14.917 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.465 -5.394 -16.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.089 -4.671 -16.190 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.777 -2.866 -13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.400 -4.226 -14.682 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.083 -2.555 -15.206 1.00 0.00 H new ATOM 462 N LEU A 29 -0.565 -3.288 -17.240 1.00 0.00 N ATOM 463 CA LEU A 29 -1.940 -3.399 -17.692 1.00 0.00 C ATOM 464 C LEU A 29 -2.177 -4.807 -18.247 1.00 0.00 C ATOM 465 O LEU A 29 -1.510 -5.227 -19.189 1.00 0.00 O ATOM 466 CB LEU A 29 -2.272 -2.284 -18.686 1.00 0.00 C ATOM 467 CG LEU A 29 -3.567 -1.513 -18.422 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.055 -0.812 -19.692 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.637 -2.428 -17.824 1.00 0.00 C ATOM 0 H LEU A 29 0.130 -3.649 -17.894 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.627 -3.263 -16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.445 -1.574 -18.694 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.329 -2.719 -19.684 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.360 -0.737 -17.685 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.977 -0.271 -19.478 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.294 -0.111 -20.036 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.242 -1.554 -20.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.547 -1.855 -17.646 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.850 -3.241 -18.518 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.278 -2.840 -16.881 1.00 0.00 H new ATOM 481 N HIS A 30 -3.132 -5.496 -17.636 1.00 0.00 N ATOM 482 CA HIS A 30 -3.466 -6.845 -18.056 1.00 0.00 C ATOM 483 C HIS A 30 -2.369 -7.810 -17.600 1.00 0.00 C ATOM 484 O HIS A 30 -2.659 -8.853 -17.016 1.00 0.00 O ATOM 485 CB HIS A 30 -3.711 -6.899 -19.565 1.00 0.00 C ATOM 486 CG HIS A 30 -4.555 -8.072 -20.008 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.039 -9.344 -20.178 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.882 -8.150 -20.313 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.019 -10.146 -20.568 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.161 -9.404 -20.651 1.00 0.00 N ATOM 0 H HIS A 30 -3.684 -5.144 -16.854 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.397 -7.157 -17.583 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.198 -5.975 -19.877 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.750 -6.941 -20.078 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.586 -7.332 -20.285 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.930 -11.201 -20.782 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.078 -9.755 -20.927 1.00 0.00 H new ATOM 499 N TYR A 31 -1.132 -7.427 -17.883 1.00 0.00 N ATOM 500 CA TYR A 31 0.009 -8.247 -17.508 1.00 0.00 C ATOM 501 C TYR A 31 1.298 -7.705 -18.129 1.00 0.00 C ATOM 502 O TYR A 31 2.392 -8.138 -17.770 1.00 0.00 O ATOM 503 CB TYR A 31 -0.269 -9.640 -18.073 1.00 0.00 C ATOM 504 CG TYR A 31 -0.164 -10.763 -17.040 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.823 -10.724 -16.076 1.00 0.00 C ATOM 506 CD2 TYR A 31 -1.058 -11.815 -17.070 1.00 0.00 C ATOM 507 CE1 TYR A 31 0.921 -11.781 -15.104 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.959 -12.871 -16.097 1.00 0.00 C ATOM 509 CZ TYR A 31 0.025 -12.803 -15.162 1.00 0.00 C ATOM 510 OH TYR A 31 0.119 -13.801 -14.243 1.00 0.00 O ATOM 0 H TYR A 31 -0.895 -6.561 -18.367 1.00 0.00 H new ATOM 0 HA TYR A 31 0.139 -8.254 -16.426 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.269 -9.652 -18.507 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.433 -9.839 -18.883 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.522 -9.901 -16.051 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.831 -11.845 -17.823 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.689 -11.763 -14.345 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.652 -13.700 -16.110 1.00 0.00 H new ATOM 0 HH TYR A 31 0.107 -14.668 -14.699 1.00 0.00 H new ATOM 520 N LYS A 32 1.126 -6.767 -19.048 1.00 0.00 N ATOM 521 CA LYS A 32 2.263 -6.161 -19.722 1.00 0.00 C ATOM 522 C LYS A 32 2.582 -4.816 -19.067 1.00 0.00 C ATOM 523 O LYS A 32 1.904 -4.403 -18.126 1.00 0.00 O ATOM 524 CB LYS A 32 2.006 -6.067 -21.226 1.00 0.00 C ATOM 525 CG LYS A 32 1.730 -7.449 -21.823 1.00 0.00 C ATOM 526 CD LYS A 32 0.227 -7.709 -21.934 1.00 0.00 C ATOM 527 CE LYS A 32 -0.050 -9.030 -22.653 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.728 -8.784 -23.946 1.00 0.00 N ATOM 0 H LYS A 32 0.217 -6.411 -19.342 1.00 0.00 H new ATOM 0 HA LYS A 32 3.149 -6.787 -19.612 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.157 -5.410 -21.413 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.869 -5.620 -21.719 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.189 -7.521 -22.809 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.190 -8.216 -21.200 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.216 -7.733 -20.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.248 -6.890 -22.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.886 -9.562 -22.822 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.671 -9.669 -22.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.909 -9.691 -24.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.631 -8.296 -23.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.122 -8.192 -24.549 1.00 0.00 H new ATOM 542 N VAL A 33 3.613 -4.168 -19.588 1.00 0.00 N ATOM 543 CA VAL A 33 4.029 -2.878 -19.067 1.00 0.00 C ATOM 544 C VAL A 33 3.834 -1.810 -20.144 1.00 0.00 C ATOM 545 O VAL A 33 4.266 -1.986 -21.283 1.00 0.00 O ATOM 546 CB VAL A 33 5.471 -2.959 -18.559 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.890 -1.650 -17.889 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.650 -4.144 -17.608 1.00 0.00 C ATOM 0 H VAL A 33 4.173 -4.513 -20.367 1.00 0.00 H new ATOM 0 HA VAL A 33 3.413 -2.595 -18.214 1.00 0.00 H new ATOM 0 HB VAL A 33 6.122 -3.118 -19.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.918 -1.734 -17.537 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.818 -0.834 -18.608 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.233 -1.447 -17.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.683 -4.179 -17.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.984 -4.028 -16.753 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.411 -5.070 -18.131 1.00 0.00 H new ATOM 558 N TYR A 34 3.184 -0.725 -19.747 1.00 0.00 N ATOM 559 CA TYR A 34 2.927 0.370 -20.665 1.00 0.00 C ATOM 560 C TYR A 34 3.553 1.670 -20.155 1.00 0.00 C ATOM 561 O TYR A 34 3.604 1.908 -18.949 1.00 0.00 O ATOM 562 CB TYR A 34 1.406 0.534 -20.711 1.00 0.00 C ATOM 563 CG TYR A 34 0.651 -0.759 -21.026 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.683 -1.812 -20.136 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.064 -0.871 -22.202 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.028 -3.028 -20.434 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.775 -2.086 -22.500 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.722 -3.106 -21.601 1.00 0.00 C ATOM 569 OH TYR A 34 -1.394 -4.254 -21.881 1.00 0.00 O ATOM 0 H TYR A 34 2.828 -0.582 -18.802 1.00 0.00 H new ATOM 0 HA TYR A 34 3.354 0.158 -21.645 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.063 0.918 -19.750 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.154 1.282 -21.462 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.241 -1.724 -19.216 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.090 -0.046 -22.899 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.011 -3.860 -19.746 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.338 -2.186 -23.416 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.526 -4.765 -21.055 1.00 0.00 H new ATOM 579 N ASP A 35 4.012 2.478 -21.100 1.00 0.00 N ATOM 580 CA ASP A 35 4.633 3.748 -20.761 1.00 0.00 C ATOM 581 C ASP A 35 3.546 4.809 -20.580 1.00 0.00 C ATOM 582 O ASP A 35 3.137 5.454 -21.544 1.00 0.00 O ATOM 583 CB ASP A 35 5.570 4.217 -21.876 1.00 0.00 C ATOM 584 CG ASP A 35 6.731 5.101 -21.414 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.679 5.543 -20.246 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.645 5.315 -22.241 1.00 0.00 O ATOM 0 H ASP A 35 3.966 2.278 -22.099 1.00 0.00 H new ATOM 0 HA ASP A 35 5.205 3.610 -19.843 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.978 3.341 -22.380 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.986 4.766 -22.614 1.00 0.00 H new ATOM 591 N LEU A 36 3.110 4.957 -19.337 1.00 0.00 N ATOM 592 CA LEU A 36 2.078 5.929 -19.017 1.00 0.00 C ATOM 593 C LEU A 36 2.503 7.306 -19.532 1.00 0.00 C ATOM 594 O LEU A 36 1.661 8.168 -19.780 1.00 0.00 O ATOM 595 CB LEU A 36 1.763 5.903 -17.520 1.00 0.00 C ATOM 596 CG LEU A 36 0.801 4.807 -17.056 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.163 5.170 -15.714 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.251 4.512 -18.128 1.00 0.00 C ATOM 0 H LEU A 36 3.452 4.420 -18.540 1.00 0.00 H new ATOM 0 HA LEU A 36 1.145 5.674 -19.520 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.700 5.792 -16.974 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.344 6.869 -17.240 1.00 0.00 H new ATOM 0 HG LEU A 36 1.373 3.892 -16.904 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.516 4.375 -15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.942 5.292 -14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.393 6.102 -15.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.922 3.730 -17.774 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.824 5.416 -18.334 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.243 4.180 -19.041 1.00 0.00 H new ATOM 610 N THR A 37 3.810 7.470 -19.678 1.00 0.00 N ATOM 611 CA THR A 37 4.358 8.727 -20.159 1.00 0.00 C ATOM 612 C THR A 37 3.839 9.030 -21.567 1.00 0.00 C ATOM 613 O THR A 37 4.008 10.141 -22.068 1.00 0.00 O ATOM 614 CB THR A 37 5.883 8.641 -20.078 1.00 0.00 C ATOM 615 OG1 THR A 37 6.184 9.056 -18.750 1.00 0.00 O ATOM 616 CG2 THR A 37 6.576 9.681 -20.960 1.00 0.00 C ATOM 0 H THR A 37 4.505 6.753 -19.472 1.00 0.00 H new ATOM 0 HA THR A 37 4.033 9.563 -19.540 1.00 0.00 H new ATOM 0 HB THR A 37 6.206 7.643 -20.373 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.358 9.096 -18.225 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.657 9.576 -20.865 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.286 9.528 -22.000 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.279 10.681 -20.645 1.00 0.00 H new ATOM 624 N LYS A 38 3.218 8.024 -22.164 1.00 0.00 N ATOM 625 CA LYS A 38 2.675 8.170 -23.503 1.00 0.00 C ATOM 626 C LYS A 38 1.166 8.410 -23.414 1.00 0.00 C ATOM 627 O LYS A 38 0.533 8.780 -24.402 1.00 0.00 O ATOM 628 CB LYS A 38 3.055 6.967 -24.369 1.00 0.00 C ATOM 629 CG LYS A 38 4.205 7.315 -25.316 1.00 0.00 C ATOM 630 CD LYS A 38 3.737 8.266 -26.420 1.00 0.00 C ATOM 631 CE LYS A 38 4.814 8.434 -27.493 1.00 0.00 C ATOM 632 NZ LYS A 38 4.449 7.686 -28.716 1.00 0.00 N ATOM 0 H LYS A 38 3.079 7.105 -21.745 1.00 0.00 H new ATOM 0 HA LYS A 38 3.108 9.040 -23.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.345 6.132 -23.731 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.189 6.642 -24.946 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.017 7.776 -24.754 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.603 6.403 -25.761 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.824 7.881 -26.874 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.494 9.237 -25.989 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.938 9.491 -27.730 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.772 8.078 -27.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.191 7.811 -29.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.353 6.676 -28.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.546 8.045 -29.086 1.00 0.00 H new ATOM 646 N PHE A 39 0.635 8.193 -22.220 1.00 0.00 N ATOM 647 CA PHE A 39 -0.787 8.382 -21.987 1.00 0.00 C ATOM 648 C PHE A 39 -1.056 9.720 -21.296 1.00 0.00 C ATOM 649 O PHE A 39 -2.180 10.220 -21.320 1.00 0.00 O ATOM 650 CB PHE A 39 -1.245 7.246 -21.071 1.00 0.00 C ATOM 651 CG PHE A 39 -0.927 5.847 -21.605 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.359 5.402 -21.617 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.927 5.052 -22.067 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.655 4.105 -22.112 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.631 3.755 -22.563 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.346 3.308 -22.575 1.00 0.00 C ATOM 0 H PHE A 39 1.164 7.888 -21.403 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.323 8.380 -22.936 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.773 7.367 -20.096 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.321 7.329 -20.917 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.154 6.035 -21.250 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.947 5.407 -22.057 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.675 3.751 -22.121 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.426 3.123 -22.931 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.121 2.321 -22.952 1.00 0.00 H new ATOM 666 N LEU A 40 -0.007 10.261 -20.695 1.00 0.00 N ATOM 667 CA LEU A 40 -0.117 11.532 -19.998 1.00 0.00 C ATOM 668 C LEU A 40 -0.851 12.535 -20.889 1.00 0.00 C ATOM 669 O LEU A 40 -1.415 13.511 -20.396 1.00 0.00 O ATOM 670 CB LEU A 40 1.261 12.010 -19.539 1.00 0.00 C ATOM 671 CG LEU A 40 1.909 11.205 -18.410 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.034 12.000 -17.745 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.860 10.739 -17.398 1.00 0.00 C ATOM 0 H LEU A 40 0.923 9.843 -20.676 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.709 11.420 -19.090 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.932 11.999 -20.398 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.175 13.047 -19.215 1.00 0.00 H new ATOM 0 HG LEU A 40 2.359 10.311 -18.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.477 11.405 -16.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.797 12.240 -18.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.630 12.923 -17.328 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.346 10.169 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.360 11.606 -16.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.125 10.109 -17.899 1.00 0.00 H new ATOM 685 N GLU A 41 -0.820 12.262 -22.185 1.00 0.00 N ATOM 686 CA GLU A 41 -1.476 13.129 -23.150 1.00 0.00 C ATOM 687 C GLU A 41 -2.813 12.525 -23.582 1.00 0.00 C ATOM 688 O GLU A 41 -3.729 13.251 -23.968 1.00 0.00 O ATOM 689 CB GLU A 41 -0.573 13.386 -24.358 1.00 0.00 C ATOM 690 CG GLU A 41 -0.207 12.075 -25.058 1.00 0.00 C ATOM 691 CD GLU A 41 0.345 12.338 -26.460 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.421 12.898 -27.275 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.519 11.973 -26.686 1.00 0.00 O ATOM 0 H GLU A 41 -0.351 11.452 -22.590 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.671 14.090 -22.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.079 14.048 -25.060 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.335 13.896 -24.036 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.534 11.537 -24.466 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.087 11.436 -25.124 1.00 0.00 H new ATOM 700 N GLU A 42 -2.884 11.206 -23.504 1.00 0.00 N ATOM 701 CA GLU A 42 -4.095 10.497 -23.883 1.00 0.00 C ATOM 702 C GLU A 42 -4.854 10.040 -22.635 1.00 0.00 C ATOM 703 O GLU A 42 -4.687 8.908 -22.183 1.00 0.00 O ATOM 704 CB GLU A 42 -3.773 9.311 -24.794 1.00 0.00 C ATOM 705 CG GLU A 42 -4.674 9.312 -26.031 1.00 0.00 C ATOM 706 CD GLU A 42 -3.880 9.669 -27.288 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.645 10.880 -27.486 1.00 0.00 O ATOM 708 OE2 GLU A 42 -3.524 8.722 -28.024 1.00 0.00 O ATOM 0 H GLU A 42 -2.122 10.608 -23.184 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.733 11.180 -24.443 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.728 9.356 -25.100 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.904 8.379 -24.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.132 8.330 -26.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.485 10.027 -25.894 1.00 0.00 H new ATOM 715 N HIS A 43 -5.672 10.944 -22.114 1.00 0.00 N ATOM 716 CA HIS A 43 -6.457 10.646 -20.929 1.00 0.00 C ATOM 717 C HIS A 43 -7.295 11.869 -20.548 1.00 0.00 C ATOM 718 O HIS A 43 -6.799 12.994 -20.562 1.00 0.00 O ATOM 719 CB HIS A 43 -5.558 10.165 -19.788 1.00 0.00 C ATOM 720 CG HIS A 43 -6.192 9.116 -18.905 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.085 9.428 -17.895 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.055 7.760 -18.895 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.460 8.300 -17.307 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.821 7.267 -17.928 1.00 0.00 N ATOM 0 H HIS A 43 -5.807 11.882 -22.491 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.145 9.828 -21.141 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.638 9.762 -20.210 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.279 11.021 -19.174 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.401 10.365 -17.645 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.429 7.184 -19.561 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.150 8.214 -16.481 1.00 0.00 H new ATOM 733 N PRO A 44 -8.585 11.599 -20.211 1.00 0.00 N ATOM 734 CA PRO A 44 -9.497 12.663 -19.829 1.00 0.00 C ATOM 735 C PRO A 44 -9.194 13.161 -18.413 1.00 0.00 C ATOM 736 O PRO A 44 -9.080 14.365 -18.188 1.00 0.00 O ATOM 737 CB PRO A 44 -10.884 12.059 -19.962 1.00 0.00 C ATOM 738 CG PRO A 44 -10.685 10.553 -19.962 1.00 0.00 C ATOM 739 CD PRO A 44 -9.207 10.279 -20.185 1.00 0.00 C ATOM 0 HA PRO A 44 -9.401 13.547 -20.459 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.525 12.368 -19.137 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.367 12.389 -20.882 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.014 10.124 -19.015 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.282 10.089 -20.747 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.794 9.662 -19.387 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.040 9.744 -21.120 1.00 0.00 H new ATOM 747 N GLY A 45 -9.073 12.210 -17.499 1.00 0.00 N ATOM 748 CA GLY A 45 -8.786 12.538 -16.112 1.00 0.00 C ATOM 749 C GLY A 45 -7.564 13.451 -16.006 1.00 0.00 C ATOM 750 O GLY A 45 -7.571 14.419 -15.246 1.00 0.00 O ATOM 0 H GLY A 45 -9.168 11.213 -17.691 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.650 13.028 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.610 11.623 -15.547 1.00 0.00 H new ATOM 754 N GLY A 46 -6.543 13.113 -16.780 1.00 0.00 N ATOM 755 CA GLY A 46 -5.314 13.890 -16.783 1.00 0.00 C ATOM 756 C GLY A 46 -4.088 12.976 -16.771 1.00 0.00 C ATOM 757 O GLY A 46 -4.162 11.826 -17.199 1.00 0.00 O ATOM 0 H GLY A 46 -6.541 12.311 -17.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.286 14.530 -17.665 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.292 14.546 -15.912 1.00 0.00 H new ATOM 761 N GLU A 47 -2.987 13.524 -16.277 1.00 0.00 N ATOM 762 CA GLU A 47 -1.745 12.773 -16.204 1.00 0.00 C ATOM 763 C GLU A 47 -1.709 11.929 -14.928 1.00 0.00 C ATOM 764 O GLU A 47 -1.404 10.738 -14.976 1.00 0.00 O ATOM 765 CB GLU A 47 -0.535 13.706 -16.279 1.00 0.00 C ATOM 766 CG GLU A 47 -0.541 14.508 -17.582 1.00 0.00 C ATOM 767 CD GLU A 47 -0.938 15.963 -17.327 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.022 16.755 -17.012 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.146 16.253 -17.454 1.00 0.00 O ATOM 0 H GLU A 47 -2.929 14.479 -15.923 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.698 12.102 -17.061 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.543 14.387 -15.428 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.383 13.123 -16.211 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.447 14.472 -18.040 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.237 14.056 -18.289 1.00 0.00 H new ATOM 776 N GLU A 48 -2.025 12.579 -13.819 1.00 0.00 N ATOM 777 CA GLU A 48 -2.033 11.902 -12.532 1.00 0.00 C ATOM 778 C GLU A 48 -2.822 10.595 -12.624 1.00 0.00 C ATOM 779 O GLU A 48 -2.352 9.551 -12.173 1.00 0.00 O ATOM 780 CB GLU A 48 -2.602 12.810 -11.438 1.00 0.00 C ATOM 781 CG GLU A 48 -1.680 12.843 -10.219 1.00 0.00 C ATOM 782 CD GLU A 48 -1.765 14.193 -9.502 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.646 14.316 -8.625 1.00 0.00 O ATOM 784 OE2 GLU A 48 -0.947 15.071 -9.850 1.00 0.00 O ATOM 0 H GLU A 48 -2.277 13.567 -13.783 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.004 11.664 -12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.731 13.819 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.589 12.455 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.954 12.044 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.652 12.657 -10.531 1.00 0.00 H new ATOM 791 N VAL A 49 -4.005 10.695 -13.211 1.00 0.00 N ATOM 792 CA VAL A 49 -4.863 9.533 -13.367 1.00 0.00 C ATOM 793 C VAL A 49 -4.007 8.317 -13.726 1.00 0.00 C ATOM 794 O VAL A 49 -4.352 7.187 -13.383 1.00 0.00 O ATOM 795 CB VAL A 49 -5.953 9.822 -14.402 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.350 9.997 -15.798 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.018 8.725 -14.398 1.00 0.00 C ATOM 0 H VAL A 49 -4.390 11.563 -13.584 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.373 9.307 -12.431 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.437 10.759 -14.126 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.145 10.201 -16.515 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.647 10.830 -15.789 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.828 9.085 -16.086 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.780 8.955 -15.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.555 7.768 -14.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.479 8.669 -13.412 1.00 0.00 H new ATOM 807 N LEU A 50 -2.905 8.589 -14.410 1.00 0.00 N ATOM 808 CA LEU A 50 -1.997 7.531 -14.818 1.00 0.00 C ATOM 809 C LEU A 50 -0.791 7.509 -13.877 1.00 0.00 C ATOM 810 O LEU A 50 -0.254 6.444 -13.575 1.00 0.00 O ATOM 811 CB LEU A 50 -1.621 7.687 -16.294 1.00 0.00 C ATOM 812 CG LEU A 50 -2.783 7.646 -17.289 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.784 8.887 -18.182 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.759 6.351 -18.104 1.00 0.00 C ATOM 0 H LEU A 50 -2.621 9.527 -14.692 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.484 6.559 -14.737 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.096 8.635 -16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.917 6.897 -16.555 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.717 7.655 -16.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.620 8.833 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.884 9.780 -17.564 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.849 8.935 -18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.595 6.346 -18.804 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.822 6.287 -18.657 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.843 5.497 -17.432 1.00 0.00 H new ATOM 826 N ARG A 51 -0.402 8.696 -13.438 1.00 0.00 N ATOM 827 CA ARG A 51 0.731 8.826 -12.536 1.00 0.00 C ATOM 828 C ARG A 51 0.416 8.170 -11.190 1.00 0.00 C ATOM 829 O ARG A 51 1.267 7.500 -10.608 1.00 0.00 O ATOM 830 CB ARG A 51 1.088 10.297 -12.308 1.00 0.00 C ATOM 831 CG ARG A 51 2.581 10.460 -12.016 1.00 0.00 C ATOM 832 CD ARG A 51 2.804 11.170 -10.679 1.00 0.00 C ATOM 833 NE ARG A 51 3.916 12.139 -10.801 1.00 0.00 N ATOM 834 CZ ARG A 51 4.382 12.878 -9.785 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.834 12.765 -8.567 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.395 13.733 -9.987 1.00 0.00 N ATOM 0 H ARG A 51 -0.850 9.577 -13.689 1.00 0.00 H new ATOM 0 HA ARG A 51 1.582 8.325 -12.998 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.820 10.881 -13.189 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.506 10.691 -11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.060 9.481 -11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.052 11.030 -12.817 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.893 11.685 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.031 10.439 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 51 4.355 12.251 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.062 12.116 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.189 13.328 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.811 13.821 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.750 14.295 -9.213 1.00 0.00 H new ATOM 850 N GLU A 52 -0.810 8.388 -10.734 1.00 0.00 N ATOM 851 CA GLU A 52 -1.247 7.826 -9.468 1.00 0.00 C ATOM 852 C GLU A 52 -1.234 6.297 -9.534 1.00 0.00 C ATOM 853 O GLU A 52 -1.290 5.628 -8.503 1.00 0.00 O ATOM 854 CB GLU A 52 -2.635 8.347 -9.088 1.00 0.00 C ATOM 855 CG GLU A 52 -3.707 7.783 -10.021 1.00 0.00 C ATOM 856 CD GLU A 52 -5.093 8.315 -9.650 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.261 8.681 -8.466 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.951 8.345 -10.558 1.00 0.00 O ATOM 0 H GLU A 52 -1.513 8.946 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.551 8.143 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.862 8.070 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.644 9.436 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.475 8.051 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.705 6.694 -9.967 1.00 0.00 H new ATOM 865 N GLN A 53 -1.161 5.789 -10.755 1.00 0.00 N ATOM 866 CA GLN A 53 -1.140 4.351 -10.967 1.00 0.00 C ATOM 867 C GLN A 53 0.257 3.898 -11.395 1.00 0.00 C ATOM 868 O GLN A 53 0.602 2.726 -11.257 1.00 0.00 O ATOM 869 CB GLN A 53 -2.193 3.935 -11.997 1.00 0.00 C ATOM 870 CG GLN A 53 -1.993 4.683 -13.317 1.00 0.00 C ATOM 871 CD GLN A 53 -3.066 4.292 -14.336 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.959 3.301 -15.039 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.102 5.124 -14.375 1.00 0.00 N ATOM 0 H GLN A 53 -1.116 6.347 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.386 3.860 -10.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.133 2.861 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.190 4.139 -11.606 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.029 5.758 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.005 4.460 -13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.128 5.936 -13.758 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.871 4.951 -15.022 1.00 0.00 H new ATOM 882 N ALA A 54 1.022 4.851 -11.906 1.00 0.00 N ATOM 883 CA ALA A 54 2.374 4.565 -12.355 1.00 0.00 C ATOM 884 C ALA A 54 3.227 4.144 -11.156 1.00 0.00 C ATOM 885 O ALA A 54 3.234 4.818 -10.128 1.00 0.00 O ATOM 886 CB ALA A 54 2.943 5.789 -13.075 1.00 0.00 C ATOM 0 H ALA A 54 0.731 5.822 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 54 2.375 3.739 -13.066 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.957 5.574 -13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.318 6.028 -13.935 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.960 6.638 -12.392 1.00 0.00 H new ATOM 892 N GLY A 55 3.926 3.031 -11.329 1.00 0.00 N ATOM 893 CA GLY A 55 4.779 2.512 -10.275 1.00 0.00 C ATOM 894 C GLY A 55 4.385 1.080 -9.904 1.00 0.00 C ATOM 895 O GLY A 55 4.758 0.585 -8.842 1.00 0.00 O ATOM 0 H GLY A 55 3.918 2.475 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.819 2.534 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.707 3.152 -9.396 1.00 0.00 H new ATOM 899 N GLY A 56 3.637 0.456 -10.802 1.00 0.00 N ATOM 900 CA GLY A 56 3.190 -0.909 -10.583 1.00 0.00 C ATOM 901 C GLY A 56 1.958 -1.225 -11.434 1.00 0.00 C ATOM 902 O GLY A 56 1.532 -0.403 -12.246 1.00 0.00 O ATOM 0 H GLY A 56 3.329 0.870 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.994 -1.603 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.955 -1.054 -9.529 1.00 0.00 H new ATOM 906 N ASP A 57 1.421 -2.418 -11.224 1.00 0.00 N ATOM 907 CA ASP A 57 0.249 -2.853 -11.962 1.00 0.00 C ATOM 908 C ASP A 57 -0.928 -1.932 -11.631 1.00 0.00 C ATOM 909 O ASP A 57 -1.181 -1.637 -10.464 1.00 0.00 O ATOM 910 CB ASP A 57 -0.146 -4.280 -11.578 1.00 0.00 C ATOM 911 CG ASP A 57 -1.651 -4.518 -11.432 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.266 -3.789 -10.623 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.152 -5.421 -12.134 1.00 0.00 O ATOM 0 H ASP A 57 1.777 -3.097 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 57 0.488 -2.819 -13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.243 -4.964 -12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.340 -4.534 -10.636 1.00 0.00 H new ATOM 918 N ALA A 58 -1.615 -1.502 -12.679 1.00 0.00 N ATOM 919 CA ALA A 58 -2.758 -0.620 -12.514 1.00 0.00 C ATOM 920 C ALA A 58 -4.022 -1.335 -12.997 1.00 0.00 C ATOM 921 O ALA A 58 -5.135 -0.895 -12.712 1.00 0.00 O ATOM 922 CB ALA A 58 -2.505 0.688 -13.266 1.00 0.00 C ATOM 0 H ALA A 58 -1.402 -1.748 -13.646 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.902 -0.370 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.362 1.350 -13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.613 1.171 -12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.359 0.476 -14.325 1.00 0.00 H new ATOM 928 N THR A 59 -3.807 -2.425 -13.718 1.00 0.00 N ATOM 929 CA THR A 59 -4.915 -3.205 -14.242 1.00 0.00 C ATOM 930 C THR A 59 -5.930 -3.500 -13.137 1.00 0.00 C ATOM 931 O THR A 59 -7.137 -3.472 -13.373 1.00 0.00 O ATOM 932 CB THR A 59 -4.341 -4.467 -14.890 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.280 -4.791 -15.911 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.379 -5.675 -13.954 1.00 0.00 C ATOM 0 H THR A 59 -2.882 -2.787 -13.952 1.00 0.00 H new ATOM 0 HA THR A 59 -5.462 -2.650 -15.004 1.00 0.00 H new ATOM 0 HB THR A 59 -3.313 -4.280 -15.200 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.875 -4.027 -16.063 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.960 -6.543 -14.463 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.793 -5.461 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.411 -5.883 -13.671 1.00 0.00 H new ATOM 942 N GLU A 60 -5.404 -3.775 -11.952 1.00 0.00 N ATOM 943 CA GLU A 60 -6.251 -4.073 -10.808 1.00 0.00 C ATOM 944 C GLU A 60 -7.279 -2.959 -10.604 1.00 0.00 C ATOM 945 O GLU A 60 -8.398 -3.217 -10.164 1.00 0.00 O ATOM 946 CB GLU A 60 -5.412 -4.285 -9.547 1.00 0.00 C ATOM 947 CG GLU A 60 -4.687 -2.998 -9.148 1.00 0.00 C ATOM 948 CD GLU A 60 -5.335 -2.364 -7.915 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.977 -2.798 -6.798 1.00 0.00 O ATOM 950 OE2 GLU A 60 -6.175 -1.460 -8.116 1.00 0.00 O ATOM 0 H GLU A 60 -4.403 -3.798 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.787 -5.001 -11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.054 -4.613 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.684 -5.078 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.639 -3.216 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.708 -2.292 -9.978 1.00 0.00 H new ATOM 957 N ASN A 61 -6.862 -1.746 -10.931 1.00 0.00 N ATOM 958 CA ASN A 61 -7.733 -0.591 -10.788 1.00 0.00 C ATOM 959 C ASN A 61 -8.382 -0.278 -12.138 1.00 0.00 C ATOM 960 O ASN A 61 -9.589 -0.056 -12.214 1.00 0.00 O ATOM 961 CB ASN A 61 -6.945 0.643 -10.345 1.00 0.00 C ATOM 962 CG ASN A 61 -7.630 1.338 -9.168 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.777 1.747 -9.237 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.867 1.446 -8.084 1.00 0.00 N ATOM 0 H ASN A 61 -5.932 -1.537 -11.295 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.485 -0.827 -10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.934 0.351 -10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.853 1.339 -11.179 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.235 1.893 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.914 1.082 -8.093 1.00 0.00 H new ATOM 971 N PHE A 62 -7.552 -0.269 -13.170 1.00 0.00 N ATOM 972 CA PHE A 62 -8.030 0.014 -14.513 1.00 0.00 C ATOM 973 C PHE A 62 -9.149 -0.951 -14.911 1.00 0.00 C ATOM 974 O PHE A 62 -9.895 -0.687 -15.852 1.00 0.00 O ATOM 975 CB PHE A 62 -6.844 -0.180 -15.461 1.00 0.00 C ATOM 976 CG PHE A 62 -7.174 -0.996 -16.712 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.415 -2.331 -16.610 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.228 -0.387 -17.926 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.720 -3.087 -17.772 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.536 -1.143 -19.088 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.776 -2.478 -18.987 1.00 0.00 C ATOM 0 H PHE A 62 -6.551 -0.453 -13.104 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.427 1.028 -14.561 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.472 0.798 -15.766 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.037 -0.674 -14.920 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.374 -2.815 -15.646 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.036 0.673 -18.007 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.908 -4.147 -17.691 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.580 -0.658 -20.052 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.011 -3.054 -19.870 1.00 0.00 H new ATOM 991 N GLU A 63 -9.231 -2.048 -14.174 1.00 0.00 N ATOM 992 CA GLU A 63 -10.246 -3.054 -14.438 1.00 0.00 C ATOM 993 C GLU A 63 -11.582 -2.633 -13.823 1.00 0.00 C ATOM 994 O GLU A 63 -12.644 -2.946 -14.359 1.00 0.00 O ATOM 995 CB GLU A 63 -9.809 -4.424 -13.918 1.00 0.00 C ATOM 996 CG GLU A 63 -9.108 -5.229 -15.013 1.00 0.00 C ATOM 997 CD GLU A 63 -10.105 -6.099 -15.780 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.957 -5.507 -16.477 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.993 -7.338 -15.651 1.00 0.00 O ATOM 0 H GLU A 63 -8.611 -2.263 -13.393 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.376 -3.138 -15.517 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.137 -4.297 -13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.678 -4.974 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.607 -4.550 -15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.337 -5.859 -14.569 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.487 -1.930 -12.703 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.674 -1.464 -12.009 1.00 0.00 C ATOM 1008 C ASP A 64 -13.282 -0.290 -12.778 1.00 0.00 C ATOM 1009 O ASP A 64 -14.474 -0.290 -13.079 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.333 -0.978 -10.598 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.295 -1.445 -9.503 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.442 -1.785 -9.863 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.862 -1.448 -8.331 1.00 0.00 O ATOM 0 H ASP A 64 -10.605 -1.672 -12.260 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.374 -2.297 -11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.328 -1.317 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.311 0.112 -10.601 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.434 0.684 -13.075 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.873 1.861 -13.803 1.00 0.00 C ATOM 1020 C VAL A 65 -13.521 1.430 -15.120 1.00 0.00 C ATOM 1021 O VAL A 65 -14.200 2.222 -15.772 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.698 2.822 -14.003 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.366 2.069 -13.985 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.857 3.622 -15.296 1.00 0.00 C ATOM 0 H VAL A 65 -11.445 0.681 -12.824 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.627 2.403 -13.231 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.697 3.527 -13.172 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.547 2.774 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.246 1.565 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.354 1.331 -14.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.009 4.297 -15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.897 2.939 -16.144 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.779 4.202 -15.254 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.288 0.173 -15.472 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.843 -0.373 -16.699 1.00 0.00 C ATOM 1036 C GLY A 66 -13.530 0.533 -17.893 1.00 0.00 C ATOM 1037 O GLY A 66 -14.349 1.369 -18.272 1.00 0.00 O ATOM 0 H GLY A 66 -12.724 -0.481 -14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.435 -1.368 -16.876 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.922 -0.485 -16.596 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.346 0.335 -18.451 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.916 1.124 -19.595 1.00 0.00 C ATOM 1043 C HIS A 67 -12.592 0.599 -20.863 1.00 0.00 C ATOM 1044 O HIS A 67 -13.346 -0.372 -20.813 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.390 1.142 -19.698 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.714 2.018 -18.673 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.171 1.519 -17.502 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.499 3.364 -18.653 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.656 2.529 -16.815 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.860 3.672 -17.531 1.00 0.00 N ATOM 0 H HIS A 67 -11.670 -0.360 -18.134 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.225 2.161 -19.465 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.017 0.123 -19.592 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.108 1.483 -20.694 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.168 0.540 -17.216 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.798 4.062 -19.421 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.162 2.459 -15.857 1.00 0.00 H new ATOM 1059 N SER A 68 -12.298 1.265 -21.970 1.00 0.00 N ATOM 1060 CA SER A 68 -12.868 0.877 -23.250 1.00 0.00 C ATOM 1061 C SER A 68 -11.830 0.113 -24.075 1.00 0.00 C ATOM 1062 O SER A 68 -10.627 0.272 -23.868 1.00 0.00 O ATOM 1063 CB SER A 68 -13.365 2.101 -24.024 1.00 0.00 C ATOM 1064 OG SER A 68 -12.320 2.725 -24.763 1.00 0.00 O ATOM 0 H SER A 68 -11.673 2.070 -22.008 1.00 0.00 H new ATOM 0 HA SER A 68 -13.723 0.227 -23.062 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.161 1.801 -24.705 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.796 2.820 -23.327 1.00 0.00 H new ATOM 0 HG SER A 68 -12.047 3.551 -24.311 1.00 0.00 H new ATOM 1070 N THR A 69 -12.332 -0.701 -24.992 1.00 0.00 N ATOM 1071 CA THR A 69 -11.464 -1.490 -25.848 1.00 0.00 C ATOM 1072 C THR A 69 -10.463 -0.585 -26.572 1.00 0.00 C ATOM 1073 O THR A 69 -9.389 -1.035 -26.967 1.00 0.00 O ATOM 1074 CB THR A 69 -12.347 -2.301 -26.798 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.762 -3.418 -26.018 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.553 -2.922 -27.948 1.00 0.00 C ATOM 0 H THR A 69 -13.330 -0.831 -25.161 1.00 0.00 H new ATOM 0 HA THR A 69 -10.862 -2.188 -25.266 1.00 0.00 H new ATOM 0 HB THR A 69 -13.129 -1.659 -27.203 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.341 -3.996 -26.557 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.227 -3.487 -28.592 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.074 -2.133 -28.527 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.792 -3.590 -27.545 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.852 0.671 -26.722 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.003 1.642 -27.390 1.00 0.00 C ATOM 1086 C ASP A 70 -8.843 2.021 -26.466 1.00 0.00 C ATOM 1087 O ASP A 70 -7.688 2.040 -26.891 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.778 2.919 -27.720 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.005 3.952 -28.542 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.102 3.522 -29.290 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.335 5.150 -28.402 1.00 0.00 O ATOM 0 H ASP A 70 -11.744 1.040 -26.392 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.640 1.191 -28.314 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.682 2.647 -28.265 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.096 3.384 -26.787 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.190 2.311 -25.222 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.192 2.688 -24.236 1.00 0.00 C ATOM 1098 C ALA A 71 -7.136 1.585 -24.137 1.00 0.00 C ATOM 1099 O ALA A 71 -5.938 1.863 -24.162 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.876 2.960 -22.894 1.00 0.00 C ATOM 0 H ALA A 71 -10.148 2.293 -24.874 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.685 3.605 -24.536 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.127 3.243 -22.154 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.595 3.771 -23.010 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.394 2.061 -22.560 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.619 0.356 -24.030 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.733 -0.791 -23.928 1.00 0.00 C ATOM 1108 C ARG A 72 -5.879 -0.915 -25.191 1.00 0.00 C ATOM 1109 O ARG A 72 -4.693 -1.235 -25.115 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.525 -2.084 -23.728 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.578 -1.918 -22.630 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.393 -3.201 -22.451 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.832 -2.878 -22.344 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.762 -3.731 -21.896 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.410 -4.965 -21.510 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -13.046 -3.350 -21.833 1.00 0.00 N ATOM 0 H ARG A 72 -8.613 0.129 -24.012 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.089 -0.636 -23.062 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.010 -2.366 -24.663 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.845 -2.894 -23.465 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.090 -1.659 -21.690 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.244 -1.093 -22.882 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.224 -3.869 -23.295 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.063 -3.729 -21.556 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.135 -1.947 -22.629 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.433 -5.255 -21.557 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.119 -5.614 -21.169 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.314 -2.411 -22.126 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.755 -4.000 -21.492 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.513 -0.654 -26.324 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.828 -0.734 -27.602 1.00 0.00 C ATOM 1132 C GLU A 73 -4.714 0.315 -27.673 1.00 0.00 C ATOM 1133 O GLU A 73 -3.588 0.004 -28.056 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.809 -0.568 -28.764 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.762 -1.778 -29.697 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.146 -2.070 -30.286 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.044 -2.407 -29.484 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.272 -1.951 -31.523 1.00 0.00 O ATOM 0 H GLU A 73 -7.495 -0.386 -26.383 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.378 -1.723 -27.688 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.820 -0.442 -28.376 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.567 0.336 -29.323 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.051 -1.593 -30.503 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.404 -2.650 -29.150 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.069 1.534 -27.294 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.115 2.630 -27.310 1.00 0.00 C ATOM 1147 C LEU A 74 -2.891 2.245 -26.474 1.00 0.00 C ATOM 1148 O LEU A 74 -1.760 2.557 -26.844 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.783 3.929 -26.859 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.420 4.419 -25.455 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.330 5.491 -25.513 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.663 4.904 -24.705 1.00 0.00 C ATOM 0 H LEU A 74 -6.004 1.787 -26.974 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.764 2.816 -28.325 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.528 4.712 -27.573 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.864 3.794 -26.907 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.014 3.578 -24.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.091 5.822 -24.502 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.437 5.077 -25.980 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.685 6.339 -26.098 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.377 5.247 -23.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.122 5.726 -25.254 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.377 4.085 -24.615 1.00 0.00 H new ATOM 1164 N SER A 75 -3.160 1.574 -25.364 1.00 0.00 N ATOM 1165 CA SER A 75 -2.095 1.145 -24.473 1.00 0.00 C ATOM 1166 C SER A 75 -1.177 0.156 -25.194 1.00 0.00 C ATOM 1167 O SER A 75 0.035 0.161 -24.985 1.00 0.00 O ATOM 1168 CB SER A 75 -2.663 0.511 -23.202 1.00 0.00 C ATOM 1169 OG SER A 75 -2.248 1.206 -22.029 1.00 0.00 O ATOM 0 H SER A 75 -4.099 1.317 -25.061 1.00 0.00 H new ATOM 0 HA SER A 75 -1.517 2.022 -24.183 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.752 0.506 -23.255 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.342 -0.529 -23.140 1.00 0.00 H new ATOM 0 HG SER A 75 -1.584 1.886 -22.269 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.789 -0.671 -26.030 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.042 -1.663 -26.783 1.00 0.00 C ATOM 1177 C LYS A 76 -0.050 -0.956 -27.709 1.00 0.00 C ATOM 1178 O LYS A 76 0.954 -1.540 -28.111 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.995 -2.611 -27.514 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.026 -2.310 -29.013 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.141 -3.094 -29.708 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.914 -3.148 -31.220 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.096 -3.722 -31.900 1.00 0.00 N ATOM 0 H LYS A 76 -2.794 -0.674 -26.202 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.458 -2.290 -26.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.682 -3.643 -27.353 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.998 -2.514 -27.099 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.176 -1.242 -29.170 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.065 -2.566 -29.459 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.183 -4.107 -29.307 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.104 -2.628 -29.498 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.719 -2.145 -31.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.032 -3.750 -31.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.926 -3.752 -32.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.264 -4.686 -31.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.930 -3.132 -31.704 1.00 0.00 H new ATOM 1197 N THR A 77 -0.367 0.294 -28.017 1.00 0.00 N ATOM 1198 CA THR A 77 0.484 1.088 -28.888 1.00 0.00 C ATOM 1199 C THR A 77 1.549 1.820 -28.068 1.00 0.00 C ATOM 1200 O THR A 77 2.543 2.291 -28.618 1.00 0.00 O ATOM 1201 CB THR A 77 -0.413 2.027 -29.695 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.610 3.146 -28.835 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.820 1.463 -29.899 1.00 0.00 C ATOM 0 H THR A 77 -1.200 0.776 -27.679 1.00 0.00 H new ATOM 0 HA THR A 77 1.033 0.458 -29.588 1.00 0.00 H new ATOM 0 HB THR A 77 0.045 2.219 -30.665 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.415 3.005 -28.295 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.415 2.170 -30.478 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.758 0.516 -30.435 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.291 1.301 -28.930 1.00 0.00 H new ATOM 1211 N PHE A 78 1.305 1.891 -26.768 1.00 0.00 N ATOM 1212 CA PHE A 78 2.231 2.557 -25.868 1.00 0.00 C ATOM 1213 C PHE A 78 3.006 1.540 -25.028 1.00 0.00 C ATOM 1214 O PHE A 78 3.859 1.915 -24.225 1.00 0.00 O ATOM 1215 CB PHE A 78 1.395 3.438 -24.938 1.00 0.00 C ATOM 1216 CG PHE A 78 0.860 4.709 -25.601 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.210 5.007 -26.881 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.035 5.541 -24.911 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.714 6.187 -27.497 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.461 6.720 -25.525 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.111 7.020 -26.806 1.00 0.00 C ATOM 0 H PHE A 78 0.479 1.498 -26.316 1.00 0.00 H new ATOM 0 HA PHE A 78 2.952 3.140 -26.441 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.554 2.856 -24.561 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.001 3.717 -24.076 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.865 4.346 -27.429 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.243 5.304 -23.895 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.992 6.423 -28.514 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.116 7.380 -24.976 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.488 7.918 -27.273 1.00 0.00 H new ATOM 1231 N ILE A 79 2.679 0.273 -25.241 1.00 0.00 N ATOM 1232 CA ILE A 79 3.335 -0.801 -24.512 1.00 0.00 C ATOM 1233 C ILE A 79 4.843 -0.732 -24.757 1.00 0.00 C ATOM 1234 O ILE A 79 5.285 -0.592 -25.898 1.00 0.00 O ATOM 1235 CB ILE A 79 2.712 -2.150 -24.875 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.505 -2.455 -23.987 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.758 -3.266 -24.823 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.161 -3.945 -24.019 1.00 0.00 C ATOM 0 H ILE A 79 1.970 -0.034 -25.907 1.00 0.00 H new ATOM 0 HA ILE A 79 3.183 -0.684 -23.439 1.00 0.00 H new ATOM 0 HB ILE A 79 2.349 -2.094 -25.901 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.717 -2.149 -22.962 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.647 -1.873 -24.322 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.291 -4.215 -25.085 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.558 -3.048 -25.530 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.171 -3.331 -23.816 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.299 -4.133 -23.379 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.926 -4.242 -25.041 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.013 -4.523 -23.660 1.00 0.00 H new ATOM 1250 N ILE A 80 5.593 -0.834 -23.670 1.00 0.00 N ATOM 1251 CA ILE A 80 7.042 -0.785 -23.752 1.00 0.00 C ATOM 1252 C ILE A 80 7.611 -2.179 -23.484 1.00 0.00 C ATOM 1253 O ILE A 80 8.679 -2.525 -23.985 1.00 0.00 O ATOM 1254 CB ILE A 80 7.596 0.295 -22.823 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.781 0.378 -21.531 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.677 1.646 -23.537 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.049 -0.832 -20.634 1.00 0.00 C ATOM 0 H ILE A 80 5.223 -0.951 -22.726 1.00 0.00 H new ATOM 0 HA ILE A 80 7.357 -0.500 -24.756 1.00 0.00 H new ATOM 0 HB ILE A 80 8.613 0.017 -22.546 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.033 1.294 -20.997 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.719 0.430 -21.770 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.074 2.396 -22.853 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.333 1.561 -24.403 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.681 1.945 -23.864 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.457 -0.748 -19.723 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.773 -1.745 -21.162 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.108 -0.867 -20.377 1.00 0.00 H new ATOM 1269 N GLY A 81 6.872 -2.943 -22.692 1.00 0.00 N ATOM 1270 CA GLY A 81 7.289 -4.292 -22.349 1.00 0.00 C ATOM 1271 C GLY A 81 6.185 -5.032 -21.593 1.00 0.00 C ATOM 1272 O GLY A 81 5.002 -4.779 -21.811 1.00 0.00 O ATOM 0 H GLY A 81 5.986 -2.653 -22.278 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.543 -4.840 -23.257 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.190 -4.253 -21.737 1.00 0.00 H new ATOM 1276 N GLU A 82 6.611 -5.933 -20.720 1.00 0.00 N ATOM 1277 CA GLU A 82 5.673 -6.713 -19.930 1.00 0.00 C ATOM 1278 C GLU A 82 6.297 -7.091 -18.586 1.00 0.00 C ATOM 1279 O GLU A 82 7.519 -7.072 -18.437 1.00 0.00 O ATOM 1280 CB GLU A 82 5.216 -7.958 -20.693 1.00 0.00 C ATOM 1281 CG GLU A 82 5.198 -7.700 -22.201 1.00 0.00 C ATOM 1282 CD GLU A 82 4.669 -8.920 -22.959 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.167 -10.028 -22.670 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.775 -8.716 -23.810 1.00 0.00 O ATOM 0 H GLU A 82 7.594 -6.140 -20.542 1.00 0.00 H new ATOM 0 HA GLU A 82 4.792 -6.101 -19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.883 -8.791 -20.471 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.220 -8.249 -20.358 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.573 -6.833 -22.418 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.204 -7.462 -22.545 1.00 0.00 H new ATOM 1291 N LEU A 83 5.432 -7.428 -17.641 1.00 0.00 N ATOM 1292 CA LEU A 83 5.884 -7.810 -16.315 1.00 0.00 C ATOM 1293 C LEU A 83 6.471 -9.222 -16.369 1.00 0.00 C ATOM 1294 O LEU A 83 5.777 -10.175 -16.718 1.00 0.00 O ATOM 1295 CB LEU A 83 4.751 -7.655 -15.297 1.00 0.00 C ATOM 1296 CG LEU A 83 5.130 -7.881 -13.832 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.639 -8.081 -13.681 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.610 -6.744 -12.950 1.00 0.00 C ATOM 0 H LEU A 83 4.420 -7.444 -17.768 1.00 0.00 H new ATOM 0 HA LEU A 83 6.679 -7.145 -15.977 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.337 -6.651 -15.394 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.956 -8.354 -15.558 1.00 0.00 H new ATOM 0 HG LEU A 83 4.649 -8.798 -13.491 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.882 -8.240 -12.630 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.951 -8.950 -14.261 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.161 -7.196 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.893 -6.929 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.042 -5.800 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.524 -6.692 -13.026 1.00 0.00 H new ATOM 1310 N HIS A 84 7.745 -9.312 -16.017 1.00 0.00 N ATOM 1311 CA HIS A 84 8.436 -10.591 -16.021 1.00 0.00 C ATOM 1312 C HIS A 84 7.855 -11.491 -14.929 1.00 0.00 C ATOM 1313 O HIS A 84 6.882 -11.125 -14.270 1.00 0.00 O ATOM 1314 CB HIS A 84 9.947 -10.393 -15.886 1.00 0.00 C ATOM 1315 CG HIS A 84 10.753 -11.064 -16.973 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.243 -11.323 -18.233 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.036 -11.525 -16.974 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.187 -11.913 -18.952 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.297 -12.038 -18.170 1.00 0.00 N ATOM 0 H HIS A 84 8.318 -8.519 -15.727 1.00 0.00 H new ATOM 0 HA HIS A 84 8.279 -11.091 -16.977 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.165 -9.325 -15.892 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.269 -10.778 -14.919 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.724 -11.480 -16.142 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.094 -12.238 -19.978 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.182 -12.457 -18.457 1.00 0.00 H new ATOM 1328 N PRO A 85 8.494 -12.679 -14.764 1.00 0.00 N ATOM 1329 CA PRO A 85 8.051 -13.634 -13.762 1.00 0.00 C ATOM 1330 C PRO A 85 8.457 -13.183 -12.357 1.00 0.00 C ATOM 1331 O PRO A 85 8.381 -13.959 -11.406 1.00 0.00 O ATOM 1332 CB PRO A 85 8.686 -14.953 -14.168 1.00 0.00 C ATOM 1333 CG PRO A 85 9.826 -14.595 -15.107 1.00 0.00 C ATOM 1334 CD PRO A 85 9.650 -13.145 -15.524 1.00 0.00 C ATOM 0 HA PRO A 85 6.966 -13.726 -13.720 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.053 -15.494 -13.296 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.961 -15.600 -14.662 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.787 -14.736 -14.612 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.820 -15.247 -15.981 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.538 -12.556 -15.295 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.479 -13.059 -16.597 1.00 0.00 H new ATOM 1342 N ASP A 86 8.879 -11.929 -12.272 1.00 0.00 N ATOM 1343 CA ASP A 86 9.298 -11.366 -10.999 1.00 0.00 C ATOM 1344 C ASP A 86 8.061 -10.950 -10.201 1.00 0.00 C ATOM 1345 O ASP A 86 8.101 -10.889 -8.973 1.00 0.00 O ATOM 1346 CB ASP A 86 10.167 -10.124 -11.206 1.00 0.00 C ATOM 1347 CG ASP A 86 9.924 -8.990 -10.209 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.505 -9.072 -9.106 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.161 -8.069 -10.571 1.00 0.00 O ATOM 0 H ASP A 86 8.940 -11.288 -13.063 1.00 0.00 H new ATOM 0 HA ASP A 86 9.873 -12.124 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.215 -10.419 -11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.997 -9.744 -12.213 1.00 0.00 H new ATOM 1354 N ASP A 87 6.991 -10.671 -10.930 1.00 0.00 N ATOM 1355 CA ASP A 87 5.745 -10.263 -10.304 1.00 0.00 C ATOM 1356 C ASP A 87 4.595 -10.450 -11.296 1.00 0.00 C ATOM 1357 O ASP A 87 3.986 -9.477 -11.737 1.00 0.00 O ATOM 1358 CB ASP A 87 5.787 -8.787 -9.904 1.00 0.00 C ATOM 1359 CG ASP A 87 6.212 -8.521 -8.459 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.335 -8.641 -7.577 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.407 -8.204 -8.268 1.00 0.00 O ATOM 0 H ASP A 87 6.961 -10.719 -11.948 1.00 0.00 H new ATOM 0 HA ASP A 87 5.600 -10.875 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.473 -8.265 -10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.799 -8.355 -10.062 1.00 0.00 H new ATOM 1366 N ARG A 88 4.333 -11.708 -11.619 1.00 0.00 N ATOM 1367 CA ARG A 88 3.268 -12.036 -12.551 1.00 0.00 C ATOM 1368 C ARG A 88 1.950 -12.237 -11.801 1.00 0.00 C ATOM 1369 O ARG A 88 1.058 -11.391 -11.867 1.00 0.00 O ATOM 1370 CB ARG A 88 3.596 -13.304 -13.341 1.00 0.00 C ATOM 1371 CG ARG A 88 4.834 -13.100 -14.219 1.00 0.00 C ATOM 1372 CD ARG A 88 4.481 -12.322 -15.488 1.00 0.00 C ATOM 1373 NE ARG A 88 3.420 -13.032 -16.237 1.00 0.00 N ATOM 1374 CZ ARG A 88 2.865 -12.575 -17.367 1.00 0.00 C ATOM 1375 NH1 ARG A 88 3.266 -11.407 -17.887 1.00 0.00 N ATOM 1376 NH2 ARG A 88 1.907 -13.287 -17.980 1.00 0.00 N ATOM 0 H ARG A 88 4.840 -12.513 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 88 3.171 -11.204 -13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.767 -14.132 -12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.745 -13.578 -13.964 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.598 -12.561 -13.658 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.258 -14.068 -14.487 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.145 -11.318 -15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.366 -12.209 -16.114 1.00 0.00 H new ATOM 0 HE ARG A 88 3.091 -13.925 -15.870 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.995 -10.865 -17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.843 -11.060 -18.748 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.601 -14.176 -17.585 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.484 -12.939 -18.841 1.00 0.00 H new ATOM 1390 N SER A 89 1.868 -13.361 -11.105 1.00 0.00 N ATOM 1391 CA SER A 89 0.673 -13.685 -10.344 1.00 0.00 C ATOM 1392 C SER A 89 0.515 -12.707 -9.177 1.00 0.00 C ATOM 1393 O SER A 89 -0.481 -12.748 -8.458 1.00 0.00 O ATOM 1394 CB SER A 89 0.722 -15.123 -9.827 1.00 0.00 C ATOM 1395 OG SER A 89 -0.224 -15.349 -8.784 1.00 0.00 O ATOM 0 H SER A 89 2.610 -14.059 -11.052 1.00 0.00 H new ATOM 0 HA SER A 89 -0.188 -13.595 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.526 -15.811 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.725 -15.342 -9.461 1.00 0.00 H new ATOM 0 HG SER A 89 -0.716 -14.521 -8.604 1.00 0.00 H new ATOM 1401 N LYS A 90 1.515 -11.849 -9.027 1.00 0.00 N ATOM 1402 CA LYS A 90 1.499 -10.862 -7.960 1.00 0.00 C ATOM 1403 C LYS A 90 0.640 -9.670 -8.387 1.00 0.00 C ATOM 1404 O LYS A 90 0.219 -8.873 -7.550 1.00 0.00 O ATOM 1405 CB LYS A 90 2.926 -10.481 -7.563 1.00 0.00 C ATOM 1406 CG LYS A 90 3.324 -11.145 -6.243 1.00 0.00 C ATOM 1407 CD LYS A 90 3.990 -12.501 -6.490 1.00 0.00 C ATOM 1408 CE LYS A 90 4.107 -13.298 -5.189 1.00 0.00 C ATOM 1409 NZ LYS A 90 3.246 -14.500 -5.237 1.00 0.00 N ATOM 0 H LYS A 90 2.340 -11.817 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 90 1.043 -11.278 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.619 -10.782 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.004 -9.398 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.007 -10.495 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.441 -11.278 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.410 -13.068 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.981 -12.351 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.144 -13.593 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.819 -12.671 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.338 -15.029 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.255 -14.212 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.539 -15.105 -6.031 1.00 0.00 H new ATOM 1423 N ILE A 91 0.408 -9.585 -9.688 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.393 -8.504 -10.236 1.00 0.00 C ATOM 1425 C ILE A 91 -1.455 -9.084 -11.173 1.00 0.00 C ATOM 1426 O ILE A 91 -2.541 -8.524 -11.309 1.00 0.00 O ATOM 1427 CB ILE A 91 0.503 -7.455 -10.897 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.678 -7.745 -12.390 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.846 -7.347 -10.174 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.623 -6.731 -13.038 1.00 0.00 C ATOM 0 H ILE A 91 0.761 -10.247 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.922 -7.982 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 91 0.013 -6.485 -10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.072 -8.752 -12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.292 -7.713 -12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.464 -6.594 -10.664 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.678 -7.059 -9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.355 -8.310 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.730 -6.959 -14.098 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.214 -5.727 -12.923 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.599 -6.783 -12.555 1.00 0.00 H new ATOM 1442 N THR A 92 -1.102 -10.200 -11.795 1.00 0.00 N ATOM 1443 CA THR A 92 -2.011 -10.862 -12.715 1.00 0.00 C ATOM 1444 C THR A 92 -3.463 -10.547 -12.351 1.00 0.00 C ATOM 1445 O THR A 92 -4.267 -10.218 -13.221 1.00 0.00 O ATOM 1446 CB THR A 92 -1.692 -12.358 -12.700 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.296 -12.855 -13.891 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.418 -13.101 -11.576 1.00 0.00 C ATOM 0 H THR A 92 -0.200 -10.662 -11.680 1.00 0.00 H new ATOM 0 HA THR A 92 -1.878 -10.496 -13.733 1.00 0.00 H new ATOM 0 HB THR A 92 -0.616 -12.498 -12.592 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.671 -13.456 -14.348 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.157 -14.159 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.120 -12.685 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.495 -12.989 -11.702 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.754 -10.661 -11.063 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.095 -10.391 -10.572 1.00 0.00 C ATOM 1458 C LYS A 93 -5.684 -9.203 -11.336 1.00 0.00 C ATOM 1459 O LYS A 93 -5.123 -8.109 -11.320 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.082 -10.200 -9.055 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.028 -11.190 -8.370 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.058 -10.962 -6.858 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.042 -11.919 -6.179 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.740 -11.239 -5.065 1.00 0.00 N ATOM 0 H LYS A 93 -3.084 -10.937 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.747 -11.245 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.069 -10.337 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.378 -9.180 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.033 -11.080 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.708 -12.210 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.060 -11.107 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.343 -9.931 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.770 -12.279 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.509 -12.792 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.246 -11.943 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.045 -10.743 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.420 -10.552 -5.449 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.838 -9.465 -12.007 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.509 -8.432 -12.774 1.00 0.00 C ATOM 1480 C PRO A 94 -8.229 -7.442 -11.854 1.00 0.00 C ATOM 1481 O PRO A 94 -8.213 -6.237 -12.097 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.457 -9.180 -13.699 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.622 -10.565 -13.094 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.532 -10.750 -12.050 1.00 0.00 C ATOM 0 HA PRO A 94 -6.814 -7.819 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.417 -8.668 -13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.051 -9.241 -14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.607 -10.668 -12.640 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.545 -11.331 -13.866 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.954 -11.005 -11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.853 -11.558 -12.325 1.00 0.00 H new ATOM 1492 N SER A 95 -8.841 -7.990 -10.814 1.00 0.00 N ATOM 1493 CA SER A 95 -9.563 -7.172 -9.856 1.00 0.00 C ATOM 1494 C SER A 95 -10.314 -8.066 -8.867 1.00 0.00 C ATOM 1495 O SER A 95 -10.506 -9.255 -9.119 1.00 0.00 O ATOM 1496 CB SER A 95 -10.537 -6.227 -10.562 1.00 0.00 C ATOM 1497 OG SER A 95 -10.381 -4.878 -10.127 1.00 0.00 O ATOM 0 H SER A 95 -8.851 -8.990 -10.615 1.00 0.00 H new ATOM 0 HA SER A 95 -8.840 -6.564 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.379 -6.281 -11.639 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.560 -6.553 -10.373 1.00 0.00 H new ATOM 0 HG SER A 95 -9.466 -4.579 -10.310 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.722 -7.459 -7.761 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.449 -8.185 -6.733 1.00 0.00 C ATOM 1505 C GLU A 96 -12.786 -7.500 -6.444 1.00 0.00 C ATOM 1506 O GLU A 96 -13.191 -6.592 -7.168 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.612 -8.314 -5.458 1.00 0.00 C ATOM 1508 CG GLU A 96 -10.316 -6.940 -4.855 1.00 0.00 C ATOM 1509 CD GLU A 96 -9.042 -6.976 -4.008 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -8.138 -7.756 -4.376 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -9.001 -6.221 -3.012 1.00 0.00 O ATOM 0 H GLU A 96 -10.563 -6.473 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.651 -9.191 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.143 -8.927 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.676 -8.825 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -10.206 -6.205 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.157 -6.620 -4.240 1.00 0.00 H new ATOM 1518 N SER A 97 -13.433 -7.962 -5.385 1.00 0.00 N ATOM 1519 CA SER A 97 -14.717 -7.405 -4.991 1.00 0.00 C ATOM 1520 C SER A 97 -14.544 -6.509 -3.764 1.00 0.00 C ATOM 1521 O SER A 97 -13.527 -6.581 -3.076 1.00 0.00 O ATOM 1522 CB SER A 97 -15.733 -8.513 -4.702 1.00 0.00 C ATOM 1523 OG SER A 97 -16.574 -8.772 -5.823 1.00 0.00 O ATOM 0 H SER A 97 -13.093 -8.715 -4.787 1.00 0.00 H new ATOM 0 HA SER A 97 -15.099 -6.807 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.205 -9.426 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.346 -8.229 -3.847 1.00 0.00 H new ATOM 0 HG SER A 97 -17.207 -9.486 -5.599 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.555 -5.685 -3.526 1.00 0.00 N ATOM 1530 CA ILE A 98 -15.527 -4.776 -2.393 1.00 0.00 C ATOM 1531 C ILE A 98 -16.903 -4.761 -1.723 1.00 0.00 C ATOM 1532 O ILE A 98 -17.845 -5.377 -2.219 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.038 -3.393 -2.827 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -14.268 -2.703 -1.699 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.199 -2.536 -3.335 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -12.957 -2.107 -2.215 1.00 0.00 C ATOM 0 H ILE A 98 -16.398 -5.628 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.812 -5.120 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.344 -3.522 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.883 -1.916 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.058 -3.420 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.824 -1.558 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.666 -3.026 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.935 -2.413 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.429 -1.623 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.334 -2.900 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.172 -1.373 -2.991 1.00 0.00 H new ATOM 1548 N ILE A 99 -16.976 -4.048 -0.608 1.00 0.00 N ATOM 1549 CA ILE A 99 -18.220 -3.944 0.133 1.00 0.00 C ATOM 1550 C ILE A 99 -18.428 -2.493 0.572 1.00 0.00 C ATOM 1551 O ILE A 99 -17.693 -1.985 1.418 1.00 0.00 O ATOM 1552 CB ILE A 99 -18.240 -4.945 1.291 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.671 -5.385 1.609 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -17.527 -4.377 2.519 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.587 -4.176 1.805 1.00 0.00 C ATOM 0 H ILE A 99 -16.193 -3.537 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.065 -4.210 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.690 -5.835 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.052 -6.007 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.675 -5.998 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -17.556 -5.108 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -16.490 -4.155 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.026 -3.463 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.597 -4.518 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.217 -3.569 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.600 -3.578 0.894 1.00 0.00 H new ATOM 1567 N THR A 100 -19.431 -1.865 -0.024 1.00 0.00 N ATOM 1568 CA THR A 100 -19.744 -0.483 0.295 1.00 0.00 C ATOM 1569 C THR A 100 -20.770 -0.416 1.429 1.00 0.00 C ATOM 1570 O THR A 100 -21.550 -1.347 1.621 1.00 0.00 O ATOM 1571 CB THR A 100 -20.213 0.204 -0.989 1.00 0.00 C ATOM 1572 OG1 THR A 100 -20.414 1.561 -0.604 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.600 -0.268 -1.433 1.00 0.00 C ATOM 0 H THR A 100 -20.038 -2.288 -0.726 1.00 0.00 H new ATOM 0 HA THR A 100 -18.865 0.047 0.662 1.00 0.00 H new ATOM 0 HB THR A 100 -19.493 0.014 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.718 2.079 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.885 0.250 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 100 -21.577 -1.342 -1.616 1.00 0.00 H new ATOM 0 HG23 THR A 100 -22.327 -0.049 -0.651 1.00 0.00 H new ATOM 1581 N THR A 101 -20.735 0.695 2.150 1.00 0.00 N ATOM 1582 CA THR A 101 -21.652 0.896 3.259 1.00 0.00 C ATOM 1583 C THR A 101 -22.601 2.058 2.963 1.00 0.00 C ATOM 1584 O THR A 101 -22.384 2.817 2.019 1.00 0.00 O ATOM 1585 CB THR A 101 -20.821 1.098 4.528 1.00 0.00 C ATOM 1586 OG1 THR A 101 -21.777 1.038 5.582 1.00 0.00 O ATOM 1587 CG2 THR A 101 -20.242 2.512 4.630 1.00 0.00 C ATOM 0 H THR A 101 -20.086 1.465 1.988 1.00 0.00 H new ATOM 0 HA THR A 101 -22.291 0.026 3.406 1.00 0.00 H new ATOM 0 HB THR A 101 -20.009 0.371 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 101 -21.323 1.158 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 101 -19.661 2.602 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 101 -19.597 2.704 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 101 -21.055 3.238 4.642 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.634 2.160 3.786 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.618 3.217 3.623 1.00 0.00 C ATOM 1597 C ILE A 102 -24.439 4.251 4.736 1.00 0.00 C ATOM 1598 O ILE A 102 -23.947 3.926 5.817 1.00 0.00 O ATOM 1599 CB ILE A 102 -26.030 2.630 3.551 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -26.874 3.356 2.503 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -26.696 2.636 4.929 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -27.426 2.376 1.467 1.00 0.00 C ATOM 0 H ILE A 102 -23.811 1.529 4.567 1.00 0.00 H new ATOM 0 HA ILE A 102 -24.465 3.736 2.677 1.00 0.00 H new ATOM 0 HB ILE A 102 -25.952 1.590 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -27.698 3.876 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -26.269 4.114 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -27.698 2.214 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.104 2.038 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -26.761 3.660 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -28.022 2.919 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -26.599 1.875 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -28.050 1.634 1.965 1.00 0.00 H new ATOM 1614 N ASP A 103 -24.846 5.475 4.435 1.00 0.00 N ATOM 1615 CA ASP A 103 -24.736 6.560 5.397 1.00 0.00 C ATOM 1616 C ASP A 103 -26.035 7.369 5.399 1.00 0.00 C ATOM 1617 O ASP A 103 -26.936 7.104 4.604 1.00 0.00 O ATOM 1618 CB ASP A 103 -23.589 7.505 5.032 1.00 0.00 C ATOM 1619 CG ASP A 103 -23.520 7.896 3.556 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -24.605 8.060 2.959 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -22.380 8.022 3.056 1.00 0.00 O ATOM 0 H ASP A 103 -25.253 5.740 3.538 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.545 6.124 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -23.682 8.412 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.647 7.034 5.312 1.00 0.00 H new ATOM 1626 N SER A 104 -26.090 8.338 6.300 1.00 0.00 N ATOM 1627 CA SER A 104 -27.263 9.187 6.416 1.00 0.00 C ATOM 1628 C SER A 104 -28.471 8.353 6.844 1.00 0.00 C ATOM 1629 O SER A 104 -28.494 7.139 6.650 1.00 0.00 O ATOM 1630 CB SER A 104 -27.555 9.906 5.096 1.00 0.00 C ATOM 1631 OG SER A 104 -28.683 10.769 5.198 1.00 0.00 O ATOM 0 H SER A 104 -25.341 8.554 6.957 1.00 0.00 H new ATOM 0 HA SER A 104 -27.064 9.944 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 104 -26.681 10.485 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 104 -27.732 9.169 4.313 1.00 0.00 H new ATOM 0 HG SER A 104 -28.836 11.211 4.337 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.953 5.322 -17.439 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.485 7.259 -18.582 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.831 4.876 -20.660 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.539 3.198 -16.284 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.922 5.918 -14.214 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.558 5.935 -19.232 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.676 6.654 -19.537 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.845 6.744 -21.000 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.772 6.137 -21.598 1.00 0.00 C HETATM 1647 C4A HEM A 105 -7.967 5.646 -20.501 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.479 5.995 -23.091 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.037 7.360 -21.705 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.263 6.463 -21.615 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.934 5.000 -21.838 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.205 4.487 -22.939 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.441 4.341 -20.905 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.493 4.294 -18.275 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.144 4.231 -19.634 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.998 3.358 -19.844 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.679 2.836 -18.606 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.584 3.447 -17.659 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.375 3.016 -21.198 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.846 1.745 -18.264 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.559 1.457 -18.656 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.357 4.689 -15.644 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.356 3.769 -15.354 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.254 3.494 -13.904 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.218 4.270 -13.330 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.873 5.028 -14.406 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.261 2.490 -13.267 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.546 4.364 -11.970 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.570 4.417 -10.987 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.429 6.346 -16.564 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.662 6.531 -15.198 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.739 7.459 -14.971 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.136 7.864 -16.190 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.369 7.133 -17.192 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.349 7.867 -13.637 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.124 8.966 -16.487 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.505 8.392 -16.681 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.304 9.167 -17.702 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.916 10.316 -17.993 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.307 8.625 -18.226 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.418 5.958 -23.644 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.919 5.077 -23.266 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.891 6.848 -23.429 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.310 2.824 -21.070 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.513 3.852 -21.884 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.857 2.128 -21.606 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.058 1.683 -13.971 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.695 2.076 -12.357 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.330 3.003 -13.024 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.268 7.040 -12.932 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.399 8.121 -13.780 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.817 8.733 -13.243 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.065 0.558 -18.287 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.033 2.128 -19.335 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.857 4.490 -9.938 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.516 4.386 -11.263 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -12.998 6.783 -22.354 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.724 6.582 -20.635 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.790 7.537 -22.752 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.262 8.330 -21.262 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.035 8.394 -15.729 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.424 7.352 -16.998 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.818 9.506 -17.383 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.134 9.686 -15.668 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.282 7.889 -18.948 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.444 4.765 -21.662 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.797 2.497 -15.930 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.182 6.151 -13.192 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.293 1.020 -17.584 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.596 4.396 -11.678 1.00 0.00 H new