USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot -27:sc= 1.19 USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.42 K(o=-1.2,f=-3.5!) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN : amide:sc= -3.72! C(o=-3.7!,f=-7.6!) USER MOD Single : A 2 THR OG1 : rot 25:sc= 0.267 USER MOD Single : A 6 GLN : amide:sc= -0.229 K(o=-0.23,f=-1) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0178 (180deg=-0.395) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -94:sc= -0.171 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.358! F(o=-1.2,f=-0.36!) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.163 (180deg=-1.05) USER MOD Single : A 25 CYS SG : rot -91:sc= 0.641 USER MOD Single : A 39 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.31) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -160:sc= -0.167 USER MOD Single : A 48 ASN : amide:sc= -4.12! C(o=-4.1!,f=-5.3!) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 1.51 (180deg=1.09) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -82:sc= 0.45 USER MOD Single : A 55 THR OG1 : rot -65:sc= 0.51 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 58 SER OG : rot 147:sc= 1.09 USER MOD Single : A 60 THR OG1 : rot 139:sc= 1.16 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.0281 (180deg=-0.362) USER MOD Single : A 64 SER OG : rot -37:sc= -0.0931 USER MOD Single : A 65 ASN : amide:sc= -0.0558 K(o=-0.056,f=-2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -148:sc= 0.785 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0.278 (180deg=0.055) USER MOD Single : A 76 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.25) USER MOD Single : A 86 ASN : amide:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 87 HIS : no HD1:sc= -0.986 X(o=-0.99,f=-0.63) USER MOD Single : A 89 MET CE :methyl -161:sc= 0 (180deg=-0.0843) USER MOD Single : A 96 ASN : amide:sc= -3.95! C(o=-4!,f=-6.9!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.072 -6.645 19.297 1.00 0.00 N ATOM 21 CA THR A 2 -12.525 -6.676 18.973 1.00 0.00 C ATOM 22 C THR A 2 -12.747 -5.985 17.626 1.00 0.00 C ATOM 23 O THR A 2 -13.853 -5.911 17.127 1.00 0.00 O ATOM 24 CB THR A 2 -13.294 -5.935 20.070 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.905 -6.438 21.341 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.801 -6.132 19.885 1.00 0.00 C ATOM 0 HA THR A 2 -12.879 -7.705 18.915 1.00 0.00 H new ATOM 0 HB THR A 2 -13.065 -4.871 20.007 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.009 -6.829 21.278 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.337 -5.600 20.671 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.102 -5.742 18.913 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.038 -7.194 19.939 1.00 0.00 H new ATOM 34 N LEU A 3 -11.696 -5.486 17.031 1.00 0.00 N ATOM 35 CA LEU A 3 -11.829 -4.811 15.708 1.00 0.00 C ATOM 36 C LEU A 3 -12.301 -5.828 14.673 1.00 0.00 C ATOM 37 O LEU A 3 -13.109 -5.534 13.817 1.00 0.00 O ATOM 38 CB LEU A 3 -10.472 -4.251 15.278 1.00 0.00 C ATOM 39 CG LEU A 3 -10.075 -3.063 16.171 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.612 -2.693 15.896 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.973 -1.844 15.885 1.00 0.00 C ATOM 0 H LEU A 3 -10.748 -5.517 17.406 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.550 -3.997 15.786 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.713 -5.031 15.341 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.516 -3.932 14.237 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.200 -3.350 17.215 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.325 -1.851 16.526 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.973 -3.547 16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.497 -2.417 14.848 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.676 -1.015 16.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.867 -1.551 14.841 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.013 -2.103 16.085 1.00 0.00 H new ATOM 53 N GLU A 4 -11.781 -7.019 14.733 1.00 0.00 N ATOM 54 CA GLU A 4 -12.180 -8.056 13.748 1.00 0.00 C ATOM 55 C GLU A 4 -13.679 -8.333 13.878 1.00 0.00 C ATOM 56 O GLU A 4 -14.421 -8.270 12.917 1.00 0.00 O ATOM 57 CB GLU A 4 -11.409 -9.339 14.049 1.00 0.00 C ATOM 58 CG GLU A 4 -9.905 -9.072 13.954 1.00 0.00 C ATOM 59 CD GLU A 4 -9.540 -8.676 12.525 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.242 -9.091 11.619 1.00 0.00 O ATOM 61 OE2 GLU A 4 -8.567 -7.960 12.361 1.00 0.00 O ATOM 0 H GLU A 4 -11.094 -7.319 15.425 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.960 -7.711 12.738 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.662 -9.701 15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.695 -10.120 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.623 -8.277 14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.349 -9.962 14.248 1.00 0.00 H new ATOM 68 N LEU A 5 -14.130 -8.646 15.061 1.00 0.00 N ATOM 69 CA LEU A 5 -15.580 -8.933 15.256 1.00 0.00 C ATOM 70 C LEU A 5 -16.400 -7.671 14.989 1.00 0.00 C ATOM 71 O LEU A 5 -17.441 -7.713 14.363 1.00 0.00 O ATOM 72 CB LEU A 5 -15.817 -9.397 16.698 1.00 0.00 C ATOM 73 CG LEU A 5 -17.317 -9.647 16.938 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.858 -10.668 15.925 1.00 0.00 C ATOM 75 CD2 LEU A 5 -17.518 -10.178 18.364 1.00 0.00 C ATOM 0 H LEU A 5 -13.557 -8.716 15.902 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.888 -9.715 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.254 -10.310 16.891 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.451 -8.643 17.395 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.860 -8.710 16.812 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.920 -10.834 16.108 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.719 -10.286 14.914 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.319 -11.609 16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.579 -10.357 18.540 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.968 -11.111 18.486 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.150 -9.444 19.081 1.00 0.00 H new ATOM 87 N GLN A 6 -15.953 -6.552 15.483 1.00 0.00 N ATOM 88 CA GLN A 6 -16.714 -5.289 15.284 1.00 0.00 C ATOM 89 C GLN A 6 -16.707 -4.919 13.802 1.00 0.00 C ATOM 90 O GLN A 6 -17.666 -4.389 13.279 1.00 0.00 O ATOM 91 CB GLN A 6 -16.059 -4.174 16.099 1.00 0.00 C ATOM 92 CG GLN A 6 -16.921 -2.910 16.045 1.00 0.00 C ATOM 93 CD GLN A 6 -18.247 -3.160 16.765 1.00 0.00 C ATOM 94 OE1 GLN A 6 -18.282 -3.815 17.787 1.00 0.00 O ATOM 95 NE2 GLN A 6 -19.347 -2.658 16.274 1.00 0.00 N ATOM 0 H GLN A 6 -15.090 -6.457 16.018 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.744 -5.423 15.615 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.933 -4.494 17.133 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.064 -3.963 15.707 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.394 -2.078 16.512 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.106 -2.628 15.008 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.318 -2.108 15.416 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.236 -2.816 16.749 1.00 0.00 H new ATOM 104 N LEU A 7 -15.626 -5.182 13.126 1.00 0.00 N ATOM 105 CA LEU A 7 -15.551 -4.836 11.679 1.00 0.00 C ATOM 106 C LEU A 7 -16.611 -5.625 10.909 1.00 0.00 C ATOM 107 O LEU A 7 -17.282 -5.102 10.042 1.00 0.00 O ATOM 108 CB LEU A 7 -14.158 -5.190 11.146 1.00 0.00 C ATOM 109 CG LEU A 7 -14.077 -4.907 9.639 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.427 -3.438 9.357 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.655 -5.202 9.147 1.00 0.00 C ATOM 0 H LEU A 7 -14.790 -5.622 13.512 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.731 -3.769 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.401 -4.609 11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.944 -6.241 11.338 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.789 -5.545 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.366 -3.249 8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.439 -3.232 9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.724 -2.790 9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.591 -5.003 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.947 -4.565 9.677 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.414 -6.248 9.336 1.00 0.00 H new ATOM 123 N LYS A 8 -16.756 -6.883 11.214 1.00 0.00 N ATOM 124 CA LYS A 8 -17.764 -7.716 10.500 1.00 0.00 C ATOM 125 C LYS A 8 -19.162 -7.161 10.771 1.00 0.00 C ATOM 126 O LYS A 8 -20.007 -7.113 9.899 1.00 0.00 O ATOM 127 CB LYS A 8 -17.681 -9.154 11.010 1.00 0.00 C ATOM 128 CG LYS A 8 -16.357 -9.790 10.573 1.00 0.00 C ATOM 129 CD LYS A 8 -16.296 -11.232 11.085 1.00 0.00 C ATOM 130 CE LYS A 8 -15.010 -11.899 10.594 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.830 -11.196 11.173 1.00 0.00 N ATOM 0 H LYS A 8 -16.218 -7.373 11.929 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.565 -7.696 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.759 -9.168 12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.518 -9.735 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.274 -9.774 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.517 -9.216 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.330 -11.243 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.164 -11.790 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.999 -12.949 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.966 -11.869 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.988 -11.800 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.672 -10.304 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.006 -10.992 12.178 1.00 0.00 H new ATOM 145 N HIS A 9 -19.414 -6.752 11.983 1.00 0.00 N ATOM 146 CA HIS A 9 -20.754 -6.204 12.329 1.00 0.00 C ATOM 147 C HIS A 9 -21.043 -4.972 11.467 1.00 0.00 C ATOM 148 O HIS A 9 -22.138 -4.792 10.970 1.00 0.00 O ATOM 149 CB HIS A 9 -20.767 -5.806 13.804 1.00 0.00 C ATOM 150 CG HIS A 9 -22.127 -5.283 14.180 1.00 0.00 C ATOM 151 ND1 HIS A 9 -23.240 -6.106 14.271 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.567 -4.022 14.501 1.00 0.00 C ATOM 153 CE1 HIS A 9 -24.283 -5.338 14.635 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.928 -4.059 14.789 1.00 0.00 N ATOM 0 H HIS A 9 -18.745 -6.774 12.753 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.517 -6.960 12.145 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.514 -6.666 14.424 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.010 -5.044 13.991 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.950 -3.136 14.526 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -25.286 -5.710 14.785 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.526 -3.278 15.059 1.00 0.00 H new ATOM 162 N TYR A 10 -20.074 -4.114 11.300 1.00 0.00 N ATOM 163 CA TYR A 10 -20.295 -2.887 10.482 1.00 0.00 C ATOM 164 C TYR A 10 -20.613 -3.277 9.036 1.00 0.00 C ATOM 165 O TYR A 10 -21.561 -2.800 8.444 1.00 0.00 O ATOM 166 CB TYR A 10 -19.028 -2.035 10.495 1.00 0.00 C ATOM 167 CG TYR A 10 -19.286 -0.756 9.737 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.920 0.314 10.378 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.904 -0.641 8.395 1.00 0.00 C ATOM 170 CE1 TYR A 10 -20.173 1.499 9.680 1.00 0.00 C ATOM 171 CE2 TYR A 10 -19.155 0.546 7.695 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.790 1.616 8.338 1.00 0.00 C ATOM 173 OH TYR A 10 -20.043 2.784 7.650 1.00 0.00 O ATOM 0 H TYR A 10 -19.138 -4.209 11.695 1.00 0.00 H new ATOM 0 HA TYR A 10 -21.129 -2.324 10.901 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.735 -1.812 11.521 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -18.202 -2.582 10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -20.214 0.225 11.413 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -18.416 -1.467 7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.664 2.324 10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.859 0.636 6.660 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.713 2.700 6.731 1.00 0.00 H new ATOM 183 N ILE A 11 -19.815 -4.134 8.461 1.00 0.00 N ATOM 184 CA ILE A 11 -20.054 -4.554 7.051 1.00 0.00 C ATOM 185 C ILE A 11 -21.367 -5.326 6.953 1.00 0.00 C ATOM 186 O ILE A 11 -22.152 -5.128 6.047 1.00 0.00 O ATOM 187 CB ILE A 11 -18.890 -5.442 6.597 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.610 -4.599 6.485 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.206 -6.097 5.247 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.747 -3.494 5.416 1.00 0.00 C ATOM 0 H ILE A 11 -19.005 -4.563 8.908 1.00 0.00 H new ATOM 0 HA ILE A 11 -20.119 -3.675 6.410 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.741 -6.230 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.387 -4.146 7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.769 -5.246 6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.368 -6.723 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.102 -6.710 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.373 -5.323 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.822 -2.919 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.944 -3.949 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.572 -2.832 5.680 1.00 0.00 H new ATOM 202 N THR A 12 -21.608 -6.215 7.869 1.00 0.00 N ATOM 203 CA THR A 12 -22.864 -7.004 7.817 1.00 0.00 C ATOM 204 C THR A 12 -24.065 -6.072 8.000 1.00 0.00 C ATOM 205 O THR A 12 -25.032 -6.138 7.270 1.00 0.00 O ATOM 206 CB THR A 12 -22.833 -8.047 8.932 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.597 -7.389 10.163 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.710 -9.066 8.675 1.00 0.00 C ATOM 0 H THR A 12 -20.990 -6.430 8.652 1.00 0.00 H new ATOM 0 HA THR A 12 -22.954 -7.503 6.852 1.00 0.00 H new ATOM 0 HB THR A 12 -23.786 -8.575 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.636 -7.393 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.698 -9.804 9.477 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.884 -9.567 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.751 -8.550 8.643 1.00 0.00 H new ATOM 216 N ASN A 13 -24.010 -5.207 8.973 1.00 0.00 N ATOM 217 CA ASN A 13 -25.142 -4.265 9.206 1.00 0.00 C ATOM 218 C ASN A 13 -25.247 -3.288 8.032 1.00 0.00 C ATOM 219 O ASN A 13 -26.325 -2.952 7.582 1.00 0.00 O ATOM 220 CB ASN A 13 -24.886 -3.490 10.497 1.00 0.00 C ATOM 221 CG ASN A 13 -26.031 -2.507 10.747 1.00 0.00 C ATOM 222 OD1 ASN A 13 -27.176 -2.805 10.472 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.768 -1.335 11.261 1.00 0.00 N ATOM 0 H ASN A 13 -23.227 -5.111 9.620 1.00 0.00 H new ATOM 0 HA ASN A 13 -26.074 -4.823 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.798 -4.181 11.335 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.941 -2.952 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.524 -0.671 11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.807 -1.084 11.492 1.00 0.00 H new ATOM 230 N LEU A 14 -24.131 -2.814 7.547 1.00 0.00 N ATOM 231 CA LEU A 14 -24.155 -1.842 6.413 1.00 0.00 C ATOM 232 C LEU A 14 -24.753 -2.502 5.167 1.00 0.00 C ATOM 233 O LEU A 14 -25.552 -1.911 4.466 1.00 0.00 O ATOM 234 CB LEU A 14 -22.721 -1.379 6.118 1.00 0.00 C ATOM 235 CG LEU A 14 -22.703 -0.394 4.935 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.602 0.818 5.234 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.263 0.082 4.702 1.00 0.00 C ATOM 0 H LEU A 14 -23.201 -3.058 7.887 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.770 -0.984 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.298 -0.902 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.094 -2.241 5.890 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.079 -0.897 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.579 1.505 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.625 0.480 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.240 1.328 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.242 0.780 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.894 0.579 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.629 -0.775 4.476 1.00 0.00 H new ATOM 249 N PHE A 15 -24.370 -3.720 4.881 1.00 0.00 N ATOM 250 CA PHE A 15 -24.906 -4.428 3.677 1.00 0.00 C ATOM 251 C PHE A 15 -26.004 -5.400 4.118 1.00 0.00 C ATOM 252 O PHE A 15 -26.560 -6.132 3.323 1.00 0.00 O ATOM 253 CB PHE A 15 -23.762 -5.185 2.990 1.00 0.00 C ATOM 254 CG PHE A 15 -22.923 -4.219 2.187 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.364 -3.797 0.927 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.709 -3.744 2.699 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.593 -2.902 0.180 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.938 -2.846 1.951 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.380 -2.425 0.691 1.00 0.00 C ATOM 0 H PHE A 15 -23.704 -4.259 5.434 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.329 -3.712 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.144 -5.685 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.165 -5.960 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.300 -4.163 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.368 -4.070 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.933 -2.578 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.003 -2.478 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.785 -1.733 0.114 1.00 0.00 H new ATOM 269 N ASN A 16 -26.324 -5.403 5.383 1.00 0.00 N ATOM 270 CA ASN A 16 -27.392 -6.313 5.891 1.00 0.00 C ATOM 271 C ASN A 16 -27.071 -7.761 5.508 1.00 0.00 C ATOM 272 O ASN A 16 -27.931 -8.507 5.079 1.00 0.00 O ATOM 273 CB ASN A 16 -28.740 -5.898 5.292 1.00 0.00 C ATOM 274 CG ASN A 16 -29.869 -6.636 6.013 1.00 0.00 C ATOM 275 OD1 ASN A 16 -30.509 -6.038 6.980 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -30.172 -7.768 5.692 1.00 0.00 N flip ATOM 0 H ASN A 16 -25.890 -4.811 6.091 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.442 -6.241 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.876 -4.821 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.763 -6.129 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.671 -8.235 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.927 -8.251 6.179 1.00 0.00 H new ATOM 283 N LEU A 17 -25.837 -8.168 5.665 1.00 0.00 N ATOM 284 CA LEU A 17 -25.449 -9.571 5.319 1.00 0.00 C ATOM 285 C LEU A 17 -25.457 -10.420 6.598 1.00 0.00 C ATOM 286 O LEU A 17 -25.188 -9.922 7.673 1.00 0.00 O ATOM 287 CB LEU A 17 -24.038 -9.575 4.718 1.00 0.00 C ATOM 288 CG LEU A 17 -23.958 -8.549 3.589 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.506 -8.417 3.123 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.832 -8.994 2.410 1.00 0.00 C ATOM 0 H LEU A 17 -25.077 -7.587 6.020 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.154 -9.982 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.303 -9.341 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.796 -10.568 4.338 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.316 -7.587 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.448 -7.685 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.885 -8.089 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.150 -9.382 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.768 -8.256 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.483 -9.959 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.867 -9.084 2.738 1.00 0.00 H new ATOM 302 N PRO A 18 -25.752 -11.692 6.491 1.00 0.00 N ATOM 303 CA PRO A 18 -25.777 -12.604 7.674 1.00 0.00 C ATOM 304 C PRO A 18 -24.371 -12.820 8.259 1.00 0.00 C ATOM 305 O PRO A 18 -23.501 -13.396 7.633 1.00 0.00 O ATOM 306 CB PRO A 18 -26.362 -13.913 7.109 1.00 0.00 C ATOM 307 CG PRO A 18 -26.040 -13.877 5.651 1.00 0.00 C ATOM 308 CD PRO A 18 -26.097 -12.406 5.250 1.00 0.00 C ATOM 0 HA PRO A 18 -26.362 -12.201 8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.919 -14.785 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.438 -13.970 7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.053 -14.297 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -26.755 -14.467 5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.392 -12.182 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.087 -12.127 4.890 1.00 0.00 H new ATOM 316 N ARG A 19 -24.151 -12.350 9.459 1.00 0.00 N ATOM 317 CA ARG A 19 -22.818 -12.506 10.108 1.00 0.00 C ATOM 318 C ARG A 19 -22.633 -13.954 10.567 1.00 0.00 C ATOM 319 O ARG A 19 -21.577 -14.338 11.029 1.00 0.00 O ATOM 320 CB ARG A 19 -22.734 -11.557 11.305 1.00 0.00 C ATOM 321 CG ARG A 19 -23.781 -11.946 12.351 1.00 0.00 C ATOM 322 CD ARG A 19 -23.753 -10.934 13.497 1.00 0.00 C ATOM 323 NE ARG A 19 -24.202 -9.602 12.998 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.475 -9.300 12.959 1.00 0.00 C ATOM 325 NH1 ARG A 19 -26.368 -10.157 13.376 1.00 0.00 N ATOM 326 NH2 ARG A 19 -25.852 -8.138 12.501 1.00 0.00 N ATOM 0 H ARG A 19 -24.846 -11.860 10.022 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.029 -12.263 9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -21.737 -11.597 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.897 -10.530 10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.772 -11.972 11.898 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -23.578 -12.947 12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.402 -11.268 14.307 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.745 -10.860 13.906 1.00 0.00 H new ATOM 0 HE ARG A 19 -23.511 -8.920 12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -26.074 -11.066 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -27.359 -9.917 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -25.156 -7.468 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -26.843 -7.900 12.469 1.00 0.00 H new ATOM 340 N ASP A 20 -23.655 -14.756 10.454 1.00 0.00 N ATOM 341 CA ASP A 20 -23.538 -16.173 10.893 1.00 0.00 C ATOM 342 C ASP A 20 -22.768 -16.967 9.836 1.00 0.00 C ATOM 343 O ASP A 20 -22.537 -18.152 9.987 1.00 0.00 O ATOM 344 CB ASP A 20 -24.934 -16.775 11.045 1.00 0.00 C ATOM 345 CG ASP A 20 -25.653 -16.140 12.237 1.00 0.00 C ATOM 346 OD1 ASP A 20 -24.990 -15.495 13.031 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.858 -16.311 12.332 1.00 0.00 O ATOM 0 H ASP A 20 -24.565 -14.491 10.077 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.012 -16.215 11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.510 -16.612 10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.860 -17.853 11.187 1.00 0.00 H new ATOM 352 N GLU A 21 -22.375 -16.325 8.762 1.00 0.00 N ATOM 353 CA GLU A 21 -21.623 -17.042 7.686 1.00 0.00 C ATOM 354 C GLU A 21 -20.131 -16.756 7.834 1.00 0.00 C ATOM 355 O GLU A 21 -19.687 -15.628 7.731 1.00 0.00 O ATOM 356 CB GLU A 21 -22.115 -16.563 6.317 1.00 0.00 C ATOM 357 CG GLU A 21 -21.377 -17.321 5.210 1.00 0.00 C ATOM 358 CD GLU A 21 -21.930 -16.898 3.847 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.997 -16.302 3.819 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.276 -17.177 2.852 1.00 0.00 O ATOM 0 H GLU A 21 -22.543 -15.335 8.585 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.791 -18.116 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.189 -16.725 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.945 -15.491 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.308 -17.112 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.499 -18.396 5.346 1.00 0.00 H new ATOM 367 N LYS A 22 -19.354 -17.774 8.081 1.00 0.00 N ATOM 368 CA LYS A 22 -17.890 -17.573 8.246 1.00 0.00 C ATOM 369 C LYS A 22 -17.237 -17.403 6.877 1.00 0.00 C ATOM 370 O LYS A 22 -17.589 -18.067 5.922 1.00 0.00 O ATOM 371 CB LYS A 22 -17.287 -18.784 8.969 1.00 0.00 C ATOM 372 CG LYS A 22 -15.761 -18.644 9.087 1.00 0.00 C ATOM 373 CD LYS A 22 -15.411 -17.382 9.888 1.00 0.00 C ATOM 374 CE LYS A 22 -13.976 -17.482 10.401 1.00 0.00 C ATOM 375 NZ LYS A 22 -13.878 -18.622 11.352 1.00 0.00 N ATOM 0 H LYS A 22 -19.672 -18.738 8.176 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.709 -16.676 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.726 -18.876 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.532 -19.697 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.343 -19.523 9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.314 -18.590 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.523 -16.498 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.100 -17.268 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.288 -17.627 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.688 -16.554 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.142 -18.422 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.792 -18.754 11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.631 -19.488 10.832 1.00 0.00 H new ATOM 389 N TRP A 23 -16.288 -16.509 6.775 1.00 0.00 N ATOM 390 CA TRP A 23 -15.602 -16.269 5.469 1.00 0.00 C ATOM 391 C TRP A 23 -14.217 -16.920 5.488 1.00 0.00 C ATOM 392 O TRP A 23 -13.757 -17.394 6.509 1.00 0.00 O ATOM 393 CB TRP A 23 -15.444 -14.761 5.264 1.00 0.00 C ATOM 394 CG TRP A 23 -16.736 -14.067 5.573 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.966 -14.635 5.510 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.948 -12.687 5.992 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.913 -13.693 5.865 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.336 -12.478 6.171 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.080 -11.606 6.237 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.846 -11.242 6.572 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.590 -10.360 6.639 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.970 -10.180 6.808 1.00 0.00 C ATOM 0 H TRP A 23 -15.956 -15.930 7.546 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.193 -16.699 4.660 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.652 -14.378 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.146 -14.554 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.172 -15.657 5.228 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.916 -13.874 5.897 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.015 -11.735 6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.910 -11.108 6.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.915 -9.536 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.356 -9.221 7.120 1.00 0.00 H new ATOM 413 N GLU A 24 -13.550 -16.946 4.357 1.00 0.00 N ATOM 414 CA GLU A 24 -12.189 -17.562 4.283 1.00 0.00 C ATOM 415 C GLU A 24 -11.155 -16.454 4.093 1.00 0.00 C ATOM 416 O GLU A 24 -11.231 -15.670 3.167 1.00 0.00 O ATOM 417 CB GLU A 24 -12.133 -18.523 3.093 1.00 0.00 C ATOM 418 CG GLU A 24 -10.799 -19.276 3.093 1.00 0.00 C ATOM 419 CD GLU A 24 -10.757 -20.241 4.280 1.00 0.00 C ATOM 420 OE1 GLU A 24 -11.778 -20.402 4.927 1.00 0.00 O ATOM 421 OE2 GLU A 24 -9.702 -20.805 4.521 1.00 0.00 O ATOM 0 H GLU A 24 -13.895 -16.563 3.477 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.978 -18.111 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.960 -19.231 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.248 -17.969 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.680 -19.826 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.971 -18.570 3.155 1.00 0.00 H new ATOM 428 N CYS A 25 -10.188 -16.383 4.971 1.00 0.00 N ATOM 429 CA CYS A 25 -9.142 -15.327 4.863 1.00 0.00 C ATOM 430 C CYS A 25 -7.890 -15.900 4.205 1.00 0.00 C ATOM 431 O CYS A 25 -7.478 -17.010 4.485 1.00 0.00 O ATOM 432 CB CYS A 25 -8.800 -14.814 6.266 1.00 0.00 C ATOM 433 SG CYS A 25 -10.308 -14.764 7.262 1.00 0.00 S ATOM 0 H CYS A 25 -10.079 -17.017 5.763 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.517 -14.505 4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.061 -15.465 6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.356 -13.820 6.205 1.00 0.00 H new ATOM 0 HG CYS A 25 -10.861 -13.593 7.154 1.00 0.00 H new ATOM 439 N GLU A 26 -7.279 -15.138 3.337 1.00 0.00 N ATOM 440 CA GLU A 26 -6.041 -15.598 2.647 1.00 0.00 C ATOM 441 C GLU A 26 -4.952 -14.548 2.864 1.00 0.00 C ATOM 442 O GLU A 26 -5.099 -13.403 2.484 1.00 0.00 O ATOM 443 CB GLU A 26 -6.334 -15.750 1.156 1.00 0.00 C ATOM 444 CG GLU A 26 -5.134 -16.387 0.459 1.00 0.00 C ATOM 445 CD GLU A 26 -5.017 -17.851 0.892 1.00 0.00 C ATOM 446 OE1 GLU A 26 -5.922 -18.328 1.556 1.00 0.00 O ATOM 447 OE2 GLU A 26 -4.025 -18.473 0.546 1.00 0.00 O ATOM 0 H GLU A 26 -7.591 -14.203 3.074 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.709 -16.557 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.221 -16.367 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.548 -14.776 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.251 -16.324 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.222 -15.847 0.713 1.00 0.00 H new ATOM 454 N SER A 27 -3.864 -14.925 3.483 1.00 0.00 N ATOM 455 CA SER A 27 -2.769 -13.946 3.741 1.00 0.00 C ATOM 456 C SER A 27 -1.783 -13.971 2.579 1.00 0.00 C ATOM 457 O SER A 27 -1.078 -14.939 2.372 1.00 0.00 O ATOM 458 CB SER A 27 -2.047 -14.335 5.030 1.00 0.00 C ATOM 459 OG SER A 27 -0.921 -13.488 5.216 1.00 0.00 O ATOM 0 H SER A 27 -3.687 -15.871 3.821 1.00 0.00 H new ATOM 0 HA SER A 27 -3.185 -12.944 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.725 -14.249 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.728 -15.376 4.981 1.00 0.00 H new ATOM 0 HG SER A 27 -0.458 -13.736 6.044 1.00 0.00 H new ATOM 465 N ILE A 28 -1.731 -12.903 1.820 1.00 0.00 N ATOM 466 CA ILE A 28 -0.799 -12.835 0.653 1.00 0.00 C ATOM 467 C ILE A 28 0.151 -11.655 0.830 1.00 0.00 C ATOM 468 O ILE A 28 -0.244 -10.565 1.193 1.00 0.00 O ATOM 469 CB ILE A 28 -1.612 -12.654 -0.627 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.579 -13.836 -0.794 1.00 0.00 C ATOM 471 CG2 ILE A 28 -0.673 -12.575 -1.832 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.824 -15.178 -0.811 1.00 0.00 C ATOM 0 H ILE A 28 -2.300 -12.068 1.961 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.219 -13.756 0.589 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.184 -11.728 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.303 -13.834 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.141 -13.721 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.259 -12.446 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.002 -11.728 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.092 -13.495 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.536 -15.995 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.118 -15.188 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.283 -15.303 0.127 1.00 0.00 H new ATOM 484 N GLU A 29 1.409 -11.881 0.586 1.00 0.00 N ATOM 485 CA GLU A 29 2.412 -10.799 0.748 1.00 0.00 C ATOM 486 C GLU A 29 2.395 -9.895 -0.484 1.00 0.00 C ATOM 487 O GLU A 29 2.564 -10.345 -1.600 1.00 0.00 O ATOM 488 CB GLU A 29 3.795 -11.434 0.911 1.00 0.00 C ATOM 489 CG GLU A 29 3.852 -12.168 2.252 1.00 0.00 C ATOM 490 CD GLU A 29 5.189 -12.899 2.388 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.987 -12.811 1.470 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.390 -13.538 3.409 1.00 0.00 O ATOM 0 H GLU A 29 1.787 -12.777 0.279 1.00 0.00 H new ATOM 0 HA GLU A 29 2.177 -10.199 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.989 -12.128 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.569 -10.667 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.730 -11.458 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.029 -12.880 2.322 1.00 0.00 H new ATOM 499 N GLU A 30 2.190 -8.615 -0.295 1.00 0.00 N ATOM 500 CA GLU A 30 2.165 -7.689 -1.464 1.00 0.00 C ATOM 501 C GLU A 30 2.595 -6.288 -1.031 1.00 0.00 C ATOM 502 O GLU A 30 2.443 -5.899 0.110 1.00 0.00 O ATOM 503 CB GLU A 30 0.748 -7.629 -2.040 1.00 0.00 C ATOM 504 CG GLU A 30 0.740 -6.728 -3.279 1.00 0.00 C ATOM 505 CD GLU A 30 -0.652 -6.729 -3.909 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.568 -7.221 -3.275 1.00 0.00 O ATOM 507 OE2 GLU A 30 -0.776 -6.234 -5.018 1.00 0.00 O ATOM 0 H GLU A 30 2.040 -8.175 0.613 1.00 0.00 H new ATOM 0 HA GLU A 30 2.855 -8.057 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.408 -8.631 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.055 -7.243 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.024 -5.712 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.477 -7.080 -4.001 1.00 0.00 H new ATOM 514 N VAL A 31 3.129 -5.529 -1.947 1.00 0.00 N ATOM 515 CA VAL A 31 3.578 -4.150 -1.621 1.00 0.00 C ATOM 516 C VAL A 31 2.370 -3.271 -1.282 1.00 0.00 C ATOM 517 O VAL A 31 1.363 -3.282 -1.962 1.00 0.00 O ATOM 518 CB VAL A 31 4.315 -3.572 -2.827 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.660 -2.104 -2.570 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.604 -4.367 -3.045 1.00 0.00 C ATOM 0 H VAL A 31 3.274 -5.810 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 31 4.244 -4.177 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 31 3.681 -3.639 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.186 -1.697 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.743 -1.538 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.297 -2.029 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.140 -3.963 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.232 -4.292 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.360 -5.413 -3.229 1.00 0.00 H new ATOM 530 N ALA A 32 2.472 -2.518 -0.222 1.00 0.00 N ATOM 531 CA ALA A 32 1.346 -1.634 0.193 1.00 0.00 C ATOM 532 C ALA A 32 1.052 -0.610 -0.908 1.00 0.00 C ATOM 533 O ALA A 32 -0.080 -0.267 -1.161 1.00 0.00 O ATOM 534 CB ALA A 32 1.756 -0.899 1.468 1.00 0.00 C ATOM 0 H ALA A 32 3.294 -2.477 0.380 1.00 0.00 H new ATOM 0 HA ALA A 32 0.452 -2.232 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.944 -0.246 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.970 -1.624 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.647 -0.302 1.273 1.00 0.00 H new ATOM 540 N ASP A 33 2.069 -0.110 -1.549 1.00 0.00 N ATOM 541 CA ASP A 33 1.861 0.909 -2.620 1.00 0.00 C ATOM 542 C ASP A 33 1.040 0.314 -3.770 1.00 0.00 C ATOM 543 O ASP A 33 0.271 1.000 -4.413 1.00 0.00 O ATOM 544 CB ASP A 33 3.223 1.354 -3.146 1.00 0.00 C ATOM 545 CG ASP A 33 3.063 2.630 -3.974 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.937 3.067 -4.147 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.072 3.147 -4.425 1.00 0.00 O ATOM 0 H ASP A 33 3.042 -0.363 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 33 1.319 1.760 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.905 1.532 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.663 0.566 -3.756 1.00 0.00 H new ATOM 552 N ASP A 34 1.215 -0.946 -4.048 1.00 0.00 N ATOM 553 CA ASP A 34 0.460 -1.572 -5.171 1.00 0.00 C ATOM 554 C ASP A 34 -1.025 -1.687 -4.809 1.00 0.00 C ATOM 555 O ASP A 34 -1.843 -2.035 -5.639 1.00 0.00 O ATOM 556 CB ASP A 34 1.022 -2.967 -5.444 1.00 0.00 C ATOM 557 CG ASP A 34 2.408 -2.851 -6.078 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.800 -1.743 -6.406 1.00 0.00 O ATOM 559 OD2 ASP A 34 3.056 -3.874 -6.227 1.00 0.00 O ATOM 0 H ASP A 34 1.847 -1.571 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 34 0.564 -0.950 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.083 -3.533 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.353 -3.515 -6.107 1.00 0.00 H new ATOM 564 N ILE A 35 -1.379 -1.398 -3.578 1.00 0.00 N ATOM 565 CA ILE A 35 -2.816 -1.488 -3.154 1.00 0.00 C ATOM 566 C ILE A 35 -3.239 -0.197 -2.451 1.00 0.00 C ATOM 567 O ILE A 35 -4.410 0.122 -2.384 1.00 0.00 O ATOM 568 CB ILE A 35 -2.994 -2.677 -2.206 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.025 -2.557 -1.024 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.709 -3.974 -2.964 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.380 -3.599 0.038 1.00 0.00 C ATOM 0 H ILE A 35 -0.733 -1.103 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.441 -1.629 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.017 -2.684 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.000 -2.705 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.078 -1.555 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.835 -4.823 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.402 -4.067 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.686 -3.958 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.690 -3.512 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.399 -3.431 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.304 -4.598 -0.392 1.00 0.00 H new ATOM 583 N LEU A 36 -2.294 0.548 -1.930 1.00 0.00 N ATOM 584 CA LEU A 36 -2.628 1.829 -1.230 1.00 0.00 C ATOM 585 C LEU A 36 -2.066 3.004 -2.042 1.00 0.00 C ATOM 586 O LEU A 36 -0.876 3.251 -2.026 1.00 0.00 O ATOM 587 CB LEU A 36 -1.990 1.836 0.167 1.00 0.00 C ATOM 588 CG LEU A 36 -2.809 0.945 1.126 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.903 0.428 2.247 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.964 1.750 1.743 1.00 0.00 C ATOM 0 H LEU A 36 -1.300 0.322 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.710 1.921 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.963 1.474 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.948 2.855 0.551 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.217 0.106 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.483 -0.201 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.089 -0.156 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.491 1.272 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.534 1.111 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.561 2.596 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.617 2.115 0.950 1.00 0.00 H new ATOM 602 N PRO A 37 -2.900 3.741 -2.740 1.00 0.00 N ATOM 603 CA PRO A 37 -2.435 4.907 -3.548 1.00 0.00 C ATOM 604 C PRO A 37 -1.526 5.858 -2.756 1.00 0.00 C ATOM 605 O PRO A 37 -1.610 5.965 -1.549 1.00 0.00 O ATOM 606 CB PRO A 37 -3.746 5.608 -3.937 1.00 0.00 C ATOM 607 CG PRO A 37 -4.751 4.509 -3.982 1.00 0.00 C ATOM 608 CD PRO A 37 -4.358 3.545 -2.866 1.00 0.00 C ATOM 0 HA PRO A 37 -1.829 4.595 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.022 6.370 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.659 6.107 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.759 4.894 -3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.743 4.010 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.876 3.776 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.604 2.514 -3.121 1.00 0.00 H new ATOM 616 N ASP A 38 -0.639 6.531 -3.442 1.00 0.00 N ATOM 617 CA ASP A 38 0.301 7.465 -2.759 1.00 0.00 C ATOM 618 C ASP A 38 -0.489 8.416 -1.858 1.00 0.00 C ATOM 619 O ASP A 38 0.072 9.163 -1.081 1.00 0.00 O ATOM 620 CB ASP A 38 1.052 8.276 -3.818 1.00 0.00 C ATOM 621 CG ASP A 38 2.042 7.375 -4.559 1.00 0.00 C ATOM 622 OD1 ASP A 38 2.210 6.240 -4.144 1.00 0.00 O ATOM 623 OD2 ASP A 38 2.613 7.836 -5.535 1.00 0.00 O ATOM 0 H ASP A 38 -0.526 6.472 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 38 1.009 6.899 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.345 8.712 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.582 9.103 -3.346 1.00 0.00 H new ATOM 628 N GLN A 39 -1.787 8.399 -1.966 1.00 0.00 N ATOM 629 CA GLN A 39 -2.626 9.301 -1.129 1.00 0.00 C ATOM 630 C GLN A 39 -2.460 8.958 0.354 1.00 0.00 C ATOM 631 O GLN A 39 -2.406 9.834 1.196 1.00 0.00 O ATOM 632 CB GLN A 39 -4.089 9.119 -1.527 1.00 0.00 C ATOM 633 CG GLN A 39 -4.290 9.558 -2.979 1.00 0.00 C ATOM 634 CD GLN A 39 -4.037 11.060 -3.102 1.00 0.00 C ATOM 635 OE1 GLN A 39 -4.599 11.844 -2.364 1.00 0.00 O ATOM 636 NE2 GLN A 39 -3.211 11.499 -4.012 1.00 0.00 N ATOM 0 H GLN A 39 -2.307 7.795 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.314 10.333 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.380 8.075 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.730 9.705 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.611 9.010 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.304 9.322 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.739 10.841 -4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.038 12.500 -4.103 1.00 0.00 H new ATOM 645 N TYR A 40 -2.397 7.690 0.683 1.00 0.00 N ATOM 646 CA TYR A 40 -2.251 7.280 2.117 1.00 0.00 C ATOM 647 C TYR A 40 -0.856 6.701 2.362 1.00 0.00 C ATOM 648 O TYR A 40 -0.531 6.319 3.470 1.00 0.00 O ATOM 649 CB TYR A 40 -3.301 6.214 2.437 1.00 0.00 C ATOM 650 CG TYR A 40 -4.678 6.833 2.382 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.225 7.415 3.531 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.405 6.828 1.185 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.498 7.992 3.484 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.679 7.407 1.138 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.226 7.989 2.289 1.00 0.00 C ATOM 656 OH TYR A 40 -8.483 8.558 2.244 1.00 0.00 O ATOM 0 H TYR A 40 -2.441 6.918 0.018 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.390 8.152 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.231 5.393 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.119 5.793 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.664 7.419 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.983 6.378 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.920 8.441 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.240 7.405 0.215 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.849 8.471 1.339 1.00 0.00 H new ATOM 666 N VAL A 41 -0.030 6.628 1.343 1.00 0.00 N ATOM 667 CA VAL A 41 1.347 6.066 1.522 1.00 0.00 C ATOM 668 C VAL A 41 2.385 7.179 1.369 1.00 0.00 C ATOM 669 O VAL A 41 2.748 7.564 0.274 1.00 0.00 O ATOM 670 CB VAL A 41 1.590 4.987 0.469 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.859 4.209 0.822 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.397 4.034 0.440 1.00 0.00 C ATOM 0 H VAL A 41 -0.251 6.934 0.395 1.00 0.00 H new ATOM 0 HA VAL A 41 1.436 5.632 2.518 1.00 0.00 H new ATOM 0 HB VAL A 41 1.710 5.450 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.034 3.438 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.709 4.891 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.740 3.743 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.566 3.262 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.279 3.569 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.507 4.590 0.191 1.00 0.00 H new ATOM 682 N ARG A 42 2.881 7.678 2.467 1.00 0.00 N ATOM 683 CA ARG A 42 3.912 8.754 2.415 1.00 0.00 C ATOM 684 C ARG A 42 4.465 8.978 3.827 1.00 0.00 C ATOM 685 O ARG A 42 5.383 9.746 4.033 1.00 0.00 O ATOM 686 CB ARG A 42 3.285 10.051 1.872 1.00 0.00 C ATOM 687 CG ARG A 42 2.213 10.566 2.835 1.00 0.00 C ATOM 688 CD ARG A 42 1.508 11.776 2.214 1.00 0.00 C ATOM 689 NE ARG A 42 2.467 12.912 2.123 1.00 0.00 N ATOM 690 CZ ARG A 42 2.104 14.044 1.581 1.00 0.00 C ATOM 691 NH1 ARG A 42 0.905 14.179 1.085 1.00 0.00 N ATOM 692 NH2 ARG A 42 2.945 15.041 1.530 1.00 0.00 N ATOM 0 H ARG A 42 2.614 7.384 3.407 1.00 0.00 H new ATOM 0 HA ARG A 42 4.725 8.460 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.058 10.808 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.845 9.868 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.489 9.778 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.667 10.845 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.132 11.523 1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.647 12.060 2.819 1.00 0.00 H new ATOM 0 HE ARG A 42 3.414 12.805 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.248 13.400 1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.625 15.064 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.884 14.936 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.663 15.925 1.107 1.00 0.00 H new ATOM 706 N LEU A 43 3.902 8.307 4.798 1.00 0.00 N ATOM 707 CA LEU A 43 4.378 8.467 6.203 1.00 0.00 C ATOM 708 C LEU A 43 5.828 7.973 6.314 1.00 0.00 C ATOM 709 O LEU A 43 6.652 8.592 6.959 1.00 0.00 O ATOM 710 CB LEU A 43 3.475 7.649 7.133 1.00 0.00 C ATOM 711 CG LEU A 43 2.170 8.414 7.411 1.00 0.00 C ATOM 712 CD1 LEU A 43 2.436 9.665 8.279 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.536 8.827 6.076 1.00 0.00 C ATOM 0 H LEU A 43 3.129 7.652 4.677 1.00 0.00 H new ATOM 0 HA LEU A 43 4.339 9.518 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.250 6.684 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.993 7.446 8.070 1.00 0.00 H new ATOM 0 HG LEU A 43 1.489 7.763 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.497 10.188 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.873 9.362 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.126 10.329 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.610 9.370 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.227 9.468 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.320 7.937 5.485 1.00 0.00 H new ATOM 725 N GLY A 44 6.140 6.865 5.685 1.00 0.00 N ATOM 726 CA GLY A 44 7.535 6.319 5.736 1.00 0.00 C ATOM 727 C GLY A 44 7.503 4.827 6.101 1.00 0.00 C ATOM 728 O GLY A 44 7.887 3.990 5.312 1.00 0.00 O ATOM 0 H GLY A 44 5.484 6.311 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.023 6.455 4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.123 6.869 6.471 1.00 0.00 H new ATOM 732 N PRO A 45 7.052 4.496 7.289 1.00 0.00 N ATOM 733 CA PRO A 45 6.980 3.073 7.756 1.00 0.00 C ATOM 734 C PRO A 45 6.230 2.164 6.772 1.00 0.00 C ATOM 735 O PRO A 45 6.617 1.037 6.532 1.00 0.00 O ATOM 736 CB PRO A 45 6.214 3.162 9.089 1.00 0.00 C ATOM 737 CG PRO A 45 6.413 4.565 9.569 1.00 0.00 C ATOM 738 CD PRO A 45 6.564 5.433 8.315 1.00 0.00 C ATOM 0 HA PRO A 45 7.973 2.634 7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.156 2.941 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.598 2.442 9.811 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.565 4.894 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.298 4.638 10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.615 5.883 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.268 6.249 8.477 1.00 0.00 H new ATOM 746 N LEU A 46 5.153 2.643 6.210 1.00 0.00 N ATOM 747 CA LEU A 46 4.371 1.811 5.254 1.00 0.00 C ATOM 748 C LEU A 46 4.928 2.022 3.844 1.00 0.00 C ATOM 749 O LEU A 46 4.484 1.415 2.888 1.00 0.00 O ATOM 750 CB LEU A 46 2.901 2.242 5.301 1.00 0.00 C ATOM 751 CG LEU A 46 2.429 2.320 6.760 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.952 2.728 6.800 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.603 0.956 7.442 1.00 0.00 C ATOM 0 H LEU A 46 4.781 3.578 6.373 1.00 0.00 H new ATOM 0 HA LEU A 46 4.447 0.757 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.781 3.212 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.286 1.532 4.748 1.00 0.00 H new ATOM 0 HG LEU A 46 3.027 3.062 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.618 2.783 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.831 3.703 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.356 1.989 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.266 1.021 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.013 0.207 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.655 0.670 7.421 1.00 0.00 H new ATOM 765 N SER A 47 5.887 2.896 3.710 1.00 0.00 N ATOM 766 CA SER A 47 6.471 3.175 2.368 1.00 0.00 C ATOM 767 C SER A 47 7.413 2.050 1.924 1.00 0.00 C ATOM 768 O SER A 47 8.183 1.523 2.701 1.00 0.00 O ATOM 769 CB SER A 47 7.251 4.486 2.426 1.00 0.00 C ATOM 770 OG SER A 47 6.461 5.474 3.075 1.00 0.00 O ATOM 0 H SER A 47 6.293 3.432 4.477 1.00 0.00 H new ATOM 0 HA SER A 47 5.656 3.244 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.188 4.342 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.509 4.814 1.419 1.00 0.00 H new ATOM 0 HG SER A 47 6.797 6.365 2.843 1.00 0.00 H new ATOM 776 N ASN A 48 7.359 1.711 0.661 1.00 0.00 N ATOM 777 CA ASN A 48 8.250 0.653 0.098 1.00 0.00 C ATOM 778 C ASN A 48 8.350 -0.543 1.047 1.00 0.00 C ATOM 779 O ASN A 48 9.390 -1.166 1.157 1.00 0.00 O ATOM 780 CB ASN A 48 9.646 1.234 -0.164 1.00 0.00 C ATOM 781 CG ASN A 48 10.182 1.918 1.095 1.00 0.00 C ATOM 782 OD1 ASN A 48 10.465 1.268 2.082 1.00 0.00 O ATOM 783 ND2 ASN A 48 10.339 3.214 1.101 1.00 0.00 N ATOM 0 H ASN A 48 6.722 2.132 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 48 7.820 0.306 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.326 0.440 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.601 1.951 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.699 3.680 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.102 3.760 0.273 1.00 0.00 H new ATOM 790 N LYS A 49 7.279 -0.875 1.724 1.00 0.00 N ATOM 791 CA LYS A 49 7.293 -2.041 2.662 1.00 0.00 C ATOM 792 C LYS A 49 6.249 -3.073 2.229 1.00 0.00 C ATOM 793 O LYS A 49 5.193 -2.737 1.718 1.00 0.00 O ATOM 794 CB LYS A 49 6.988 -1.553 4.077 1.00 0.00 C ATOM 795 CG LYS A 49 7.410 -2.624 5.089 1.00 0.00 C ATOM 796 CD LYS A 49 7.284 -2.071 6.510 1.00 0.00 C ATOM 797 CE LYS A 49 5.811 -2.003 6.924 1.00 0.00 C ATOM 798 NZ LYS A 49 5.725 -1.772 8.393 1.00 0.00 N ATOM 0 H LYS A 49 6.387 -0.384 1.667 1.00 0.00 H new ATOM 0 HA LYS A 49 8.277 -2.510 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.519 -0.622 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.924 -1.341 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.785 -3.510 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.438 -2.933 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.835 -2.705 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.730 -1.078 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.307 -1.199 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.303 -2.931 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.819 -1.315 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.788 -2.682 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.508 -1.157 8.694 1.00 0.00 H new ATOM 812 N ILE A 50 6.541 -4.333 2.422 1.00 0.00 N ATOM 813 CA ILE A 50 5.579 -5.398 2.024 1.00 0.00 C ATOM 814 C ILE A 50 4.593 -5.661 3.159 1.00 0.00 C ATOM 815 O ILE A 50 4.951 -6.160 4.210 1.00 0.00 O ATOM 816 CB ILE A 50 6.348 -6.679 1.708 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.225 -6.448 0.476 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.360 -7.815 1.431 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.187 -7.623 0.299 1.00 0.00 C ATOM 0 H ILE A 50 7.408 -4.669 2.840 1.00 0.00 H new ATOM 0 HA ILE A 50 5.027 -5.073 1.142 1.00 0.00 H new ATOM 0 HB ILE A 50 6.975 -6.949 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.601 -6.340 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.786 -5.520 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.910 -8.729 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.734 -7.975 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.731 -7.551 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.810 -7.454 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.821 -7.710 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.617 -8.543 0.169 1.00 0.00 H new ATOM 831 N LEU A 51 3.347 -5.328 2.951 1.00 0.00 N ATOM 832 CA LEU A 51 2.315 -5.546 4.002 1.00 0.00 C ATOM 833 C LEU A 51 1.554 -6.840 3.710 1.00 0.00 C ATOM 834 O LEU A 51 1.273 -7.170 2.571 1.00 0.00 O ATOM 835 CB LEU A 51 1.348 -4.353 4.009 1.00 0.00 C ATOM 836 CG LEU A 51 1.954 -3.187 4.816 1.00 0.00 C ATOM 837 CD1 LEU A 51 2.008 -3.531 6.319 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.371 -2.894 4.299 1.00 0.00 C ATOM 0 H LEU A 51 2.998 -4.910 2.088 1.00 0.00 H new ATOM 0 HA LEU A 51 2.791 -5.630 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.146 -4.032 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.394 -4.650 4.444 1.00 0.00 H new ATOM 0 HG LEU A 51 1.324 -2.307 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.439 -2.694 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.999 -3.724 6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.624 -4.418 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.803 -2.070 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.992 -3.782 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.325 -2.622 3.244 1.00 0.00 H new ATOM 850 N GLN A 52 1.227 -7.576 4.735 1.00 0.00 N ATOM 851 CA GLN A 52 0.490 -8.848 4.532 1.00 0.00 C ATOM 852 C GLN A 52 -0.962 -8.527 4.172 1.00 0.00 C ATOM 853 O GLN A 52 -1.687 -7.926 4.941 1.00 0.00 O ATOM 854 CB GLN A 52 0.557 -9.670 5.818 1.00 0.00 C ATOM 855 CG GLN A 52 2.000 -10.136 6.035 1.00 0.00 C ATOM 856 CD GLN A 52 2.112 -10.881 7.366 1.00 0.00 C ATOM 857 OE1 GLN A 52 1.895 -10.311 8.415 1.00 0.00 O ATOM 858 NE2 GLN A 52 2.453 -12.142 7.368 1.00 0.00 N ATOM 0 H GLN A 52 1.440 -7.348 5.706 1.00 0.00 H new ATOM 0 HA GLN A 52 0.936 -9.425 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.223 -9.072 6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.110 -10.529 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.308 -10.787 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.673 -9.278 6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.636 -12.622 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.537 -12.646 8.251 1.00 0.00 H new ATOM 867 N THR A 53 -1.385 -8.905 2.994 1.00 0.00 N ATOM 868 CA THR A 53 -2.778 -8.605 2.559 1.00 0.00 C ATOM 869 C THR A 53 -3.708 -9.759 2.928 1.00 0.00 C ATOM 870 O THR A 53 -3.556 -10.869 2.454 1.00 0.00 O ATOM 871 CB THR A 53 -2.790 -8.414 1.043 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.276 -9.581 0.419 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.917 -7.210 0.679 1.00 0.00 C ATOM 0 H THR A 53 -0.821 -9.412 2.312 1.00 0.00 H new ATOM 0 HA THR A 53 -3.124 -7.700 3.058 1.00 0.00 H new ATOM 0 HB THR A 53 -3.810 -8.240 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.296 -9.553 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.923 -7.070 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.310 -6.316 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.896 -7.386 1.017 1.00 0.00 H new ATOM 881 N ASN A 54 -4.682 -9.495 3.764 1.00 0.00 N ATOM 882 CA ASN A 54 -5.652 -10.555 4.168 1.00 0.00 C ATOM 883 C ASN A 54 -6.984 -10.283 3.477 1.00 0.00 C ATOM 884 O ASN A 54 -7.738 -9.412 3.870 1.00 0.00 O ATOM 885 CB ASN A 54 -5.841 -10.521 5.685 1.00 0.00 C ATOM 886 CG ASN A 54 -4.622 -11.152 6.359 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.733 -11.642 5.694 1.00 0.00 O ATOM 888 ND2 ASN A 54 -4.545 -11.170 7.658 1.00 0.00 N ATOM 0 H ASN A 54 -4.846 -8.581 4.187 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.278 -11.537 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.967 -9.493 6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.746 -11.062 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.739 -11.595 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.291 -10.759 8.219 1.00 0.00 H new ATOM 895 N THR A 55 -7.273 -11.018 2.435 1.00 0.00 N ATOM 896 CA THR A 55 -8.545 -10.810 1.690 1.00 0.00 C ATOM 897 C THR A 55 -9.572 -11.845 2.136 1.00 0.00 C ATOM 898 O THR A 55 -9.268 -13.013 2.278 1.00 0.00 O ATOM 899 CB THR A 55 -8.280 -10.964 0.195 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.342 -9.978 -0.211 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.585 -10.780 -0.581 1.00 0.00 C ATOM 0 H THR A 55 -6.676 -11.759 2.067 1.00 0.00 H new ATOM 0 HA THR A 55 -8.930 -9.811 1.893 1.00 0.00 H new ATOM 0 HB THR A 55 -7.882 -11.958 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.736 -9.087 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.392 -10.891 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.307 -11.532 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.987 -9.786 -0.386 1.00 0.00 H new ATOM 909 N TYR A 56 -10.787 -11.424 2.370 1.00 0.00 N ATOM 910 CA TYR A 56 -11.837 -12.383 2.817 1.00 0.00 C ATOM 911 C TYR A 56 -12.677 -12.804 1.616 1.00 0.00 C ATOM 912 O TYR A 56 -13.205 -11.976 0.898 1.00 0.00 O ATOM 913 CB TYR A 56 -12.723 -11.687 3.845 1.00 0.00 C ATOM 914 CG TYR A 56 -11.899 -11.380 5.071 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.006 -10.302 5.054 1.00 0.00 C ATOM 916 CD2 TYR A 56 -12.024 -12.168 6.221 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.237 -10.013 6.188 1.00 0.00 C ATOM 918 CE2 TYR A 56 -11.257 -11.878 7.354 1.00 0.00 C ATOM 919 CZ TYR A 56 -10.361 -10.801 7.337 1.00 0.00 C ATOM 920 OH TYR A 56 -9.603 -10.516 8.454 1.00 0.00 O ATOM 0 H TYR A 56 -11.097 -10.457 2.271 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.378 -13.267 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.135 -10.768 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.567 -12.324 4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.910 -9.694 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.713 -13.000 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.548 -9.181 6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.355 -12.484 8.242 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.812 -11.159 9.164 1.00 0.00 H new ATOM 930 N TYR A 57 -12.803 -14.090 1.392 1.00 0.00 N ATOM 931 CA TYR A 57 -13.605 -14.591 0.237 1.00 0.00 C ATOM 932 C TYR A 57 -14.815 -15.354 0.761 1.00 0.00 C ATOM 933 O TYR A 57 -14.684 -16.352 1.444 1.00 0.00 O ATOM 934 CB TYR A 57 -12.734 -15.525 -0.600 1.00 0.00 C ATOM 935 CG TYR A 57 -11.653 -14.716 -1.279 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.969 -13.937 -2.398 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.341 -14.741 -0.789 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.973 -13.182 -3.029 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.345 -13.987 -1.422 1.00 0.00 C ATOM 940 CZ TYR A 57 -9.661 -13.208 -2.542 1.00 0.00 C ATOM 941 OH TYR A 57 -8.679 -12.465 -3.165 1.00 0.00 O ATOM 0 H TYR A 57 -12.380 -14.819 1.967 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.942 -13.755 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.288 -16.292 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.342 -16.040 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.981 -13.918 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.098 -15.341 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.217 -12.580 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.333 -14.006 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.826 -12.595 -2.700 1.00 0.00 H new ATOM 951 N SER A 58 -15.998 -14.890 0.450 1.00 0.00 N ATOM 952 CA SER A 58 -17.234 -15.576 0.927 1.00 0.00 C ATOM 953 C SER A 58 -18.262 -15.642 -0.205 1.00 0.00 C ATOM 954 O SER A 58 -18.270 -14.823 -1.102 1.00 0.00 O ATOM 955 CB SER A 58 -17.825 -14.793 2.100 1.00 0.00 C ATOM 956 OG SER A 58 -18.856 -15.561 2.705 1.00 0.00 O ATOM 0 H SER A 58 -16.161 -14.059 -0.118 1.00 0.00 H new ATOM 0 HA SER A 58 -16.984 -16.588 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.048 -14.567 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.222 -13.839 1.752 1.00 0.00 H new ATOM 0 HG SER A 58 -18.877 -15.380 3.668 1.00 0.00 H new ATOM 962 N ASP A 59 -19.132 -16.615 -0.163 1.00 0.00 N ATOM 963 CA ASP A 59 -20.172 -16.741 -1.223 1.00 0.00 C ATOM 964 C ASP A 59 -21.052 -15.483 -1.219 1.00 0.00 C ATOM 965 O ASP A 59 -21.371 -14.931 -2.255 1.00 0.00 O ATOM 966 CB ASP A 59 -21.045 -17.957 -0.911 1.00 0.00 C ATOM 967 CG ASP A 59 -20.266 -19.248 -1.176 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.230 -19.175 -1.816 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.723 -20.290 -0.730 1.00 0.00 O ATOM 0 H ASP A 59 -19.167 -17.331 0.563 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.698 -16.856 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.367 -17.925 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.946 -17.934 -1.525 1.00 0.00 H new ATOM 974 N THR A 60 -21.449 -15.035 -0.059 1.00 0.00 N ATOM 975 CA THR A 60 -22.309 -13.817 0.026 1.00 0.00 C ATOM 976 C THR A 60 -21.539 -12.601 -0.498 1.00 0.00 C ATOM 977 O THR A 60 -22.051 -11.807 -1.262 1.00 0.00 O ATOM 978 CB THR A 60 -22.703 -13.586 1.486 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.455 -14.699 1.953 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.546 -12.315 1.601 1.00 0.00 C ATOM 0 H THR A 60 -21.214 -15.461 0.838 1.00 0.00 H new ATOM 0 HA THR A 60 -23.204 -13.958 -0.580 1.00 0.00 H new ATOM 0 HB THR A 60 -21.802 -13.474 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.181 -14.918 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.824 -12.156 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 60 -22.969 -11.462 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.447 -12.420 0.997 1.00 0.00 H new ATOM 988 N LEU A 61 -20.308 -12.450 -0.087 1.00 0.00 N ATOM 989 CA LEU A 61 -19.495 -11.290 -0.555 1.00 0.00 C ATOM 990 C LEU A 61 -19.299 -11.392 -2.070 1.00 0.00 C ATOM 991 O LEU A 61 -19.336 -10.407 -2.782 1.00 0.00 O ATOM 992 CB LEU A 61 -18.131 -11.300 0.143 1.00 0.00 C ATOM 993 CG LEU A 61 -18.292 -10.991 1.642 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.938 -11.179 2.342 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.785 -9.544 1.847 1.00 0.00 C ATOM 0 H LEU A 61 -19.829 -13.082 0.555 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.012 -10.361 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.657 -12.273 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.474 -10.562 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.029 -11.671 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.045 -10.962 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.602 -12.208 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.205 -10.501 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.893 -9.344 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.062 -8.849 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.749 -9.415 1.354 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.081 -12.577 -2.566 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.874 -12.751 -4.030 1.00 0.00 C ATOM 1009 C HIS A 62 -20.080 -12.182 -4.784 1.00 0.00 C ATOM 1010 O HIS A 62 -19.940 -11.520 -5.792 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.743 -14.242 -4.334 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.526 -14.443 -5.808 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.368 -14.030 -6.448 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -19.308 -15.018 -6.780 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -17.485 -14.358 -7.748 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -18.649 -14.963 -8.005 1.00 0.00 N ATOM 0 H HIS A 62 -19.037 -13.436 -2.018 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.971 -12.227 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.910 -14.665 -3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.642 -14.768 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -20.286 -15.448 -6.618 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.730 -14.157 -8.493 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -18.982 -15.310 -8.905 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.261 -12.443 -4.302 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.481 -11.922 -4.982 1.00 0.00 C ATOM 1026 C LYS A 63 -22.483 -10.391 -4.937 1.00 0.00 C ATOM 1027 O LYS A 63 -22.832 -9.730 -5.896 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.717 -12.449 -4.257 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.832 -13.962 -4.462 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.047 -14.488 -3.695 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.146 -16.005 -3.869 1.00 0.00 C ATOM 1032 NZ LYS A 63 -25.462 -16.319 -5.292 1.00 0.00 N ATOM 0 H LYS A 63 -21.436 -12.997 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.489 -12.252 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.651 -12.221 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.611 -11.952 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.932 -14.190 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.926 -14.457 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.959 -14.238 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.956 -14.010 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -24.207 -16.478 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -25.920 -16.408 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -25.810 -17.296 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.193 -15.665 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.603 -16.215 -5.869 1.00 0.00 H new ATOM 1046 N SER A 64 -22.109 -9.825 -3.824 1.00 0.00 N ATOM 1047 CA SER A 64 -22.095 -8.340 -3.705 1.00 0.00 C ATOM 1048 C SER A 64 -20.869 -7.783 -4.425 1.00 0.00 C ATOM 1049 O SER A 64 -20.692 -6.586 -4.525 1.00 0.00 O ATOM 1050 CB SER A 64 -22.050 -7.954 -2.228 1.00 0.00 C ATOM 1051 OG SER A 64 -22.073 -6.538 -2.106 1.00 0.00 O ATOM 0 H SER A 64 -21.811 -10.329 -2.988 1.00 0.00 H new ATOM 0 HA SER A 64 -22.995 -7.925 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.900 -8.389 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.149 -8.355 -1.764 1.00 0.00 H new ATOM 0 HG SER A 64 -21.550 -6.139 -2.832 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.026 -8.645 -4.924 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.803 -8.186 -5.647 1.00 0.00 C ATOM 1059 C ASN A 65 -17.951 -7.297 -4.737 1.00 0.00 C ATOM 1060 O ASN A 65 -17.323 -6.357 -5.188 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.194 -7.416 -6.913 1.00 0.00 C ATOM 1062 CG ASN A 65 -19.775 -8.389 -7.936 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -19.592 -9.584 -7.821 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -20.472 -7.927 -8.936 1.00 0.00 N ATOM 0 H ASN A 65 -20.132 -9.658 -4.862 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.219 -9.061 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.925 -6.644 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.322 -6.911 -7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.865 -8.570 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.624 -6.923 -9.031 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.908 -7.602 -3.461 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.077 -6.803 -2.502 1.00 0.00 C ATOM 1073 C ILE A 66 -15.996 -7.701 -1.905 1.00 0.00 C ATOM 1074 O ILE A 66 -16.270 -8.784 -1.425 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.962 -6.243 -1.382 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.902 -5.188 -1.974 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.083 -5.611 -0.294 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.927 -4.757 -0.927 1.00 0.00 C ATOM 0 H ILE A 66 -18.418 -8.378 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.611 -5.972 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.548 -7.047 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.328 -4.325 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.411 -5.592 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.716 -5.214 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.414 -6.367 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.494 -4.802 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.592 -4.007 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.511 -5.622 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.411 -4.334 -0.065 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.763 -7.254 -1.936 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.636 -8.062 -1.379 1.00 0.00 C ATOM 1092 C TYR A 67 -13.014 -7.309 -0.191 1.00 0.00 C ATOM 1093 O TYR A 67 -12.154 -6.469 -0.376 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.575 -8.255 -2.463 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.232 -8.792 -3.713 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.721 -10.105 -3.736 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.357 -7.980 -4.846 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.329 -10.606 -4.894 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.965 -8.481 -6.003 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.453 -9.793 -6.027 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.050 -10.286 -7.169 1.00 0.00 O ATOM 0 H TYR A 67 -14.488 -6.353 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.005 -9.032 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.080 -7.308 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.806 -8.946 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.629 -10.731 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.984 -6.967 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.702 -11.619 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.058 -7.855 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.056 -9.592 -7.861 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.438 -7.603 1.021 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.894 -6.932 2.240 1.00 0.00 C ATOM 1113 C PRO A 68 -11.367 -7.025 2.293 1.00 0.00 C ATOM 1114 O PRO A 68 -10.798 -8.070 2.018 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.530 -7.707 3.408 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.761 -8.340 2.838 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.477 -8.588 1.355 1.00 0.00 C ATOM 0 HA PRO A 68 -13.125 -5.867 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.846 -8.460 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.777 -7.040 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.989 -9.275 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.626 -7.688 2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.132 -9.607 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.371 -8.446 0.748 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.700 -5.940 2.627 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.204 -5.953 2.673 1.00 0.00 C ATOM 1127 C PHE A 69 -8.702 -5.473 4.037 1.00 0.00 C ATOM 1128 O PHE A 69 -9.064 -4.416 4.518 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.667 -5.028 1.551 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.629 -5.758 0.734 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.036 -6.708 -0.205 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.271 -5.496 0.928 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.083 -7.405 -0.951 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -5.316 -6.188 0.181 1.00 0.00 C ATOM 1135 CZ PHE A 69 -5.720 -7.144 -0.759 1.00 0.00 C ATOM 0 H PHE A 69 -11.131 -5.048 2.869 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.844 -6.971 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.487 -4.707 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.232 -4.128 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.088 -6.904 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.960 -4.760 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.396 -8.143 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.265 -5.986 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.981 -7.680 -1.336 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.835 -6.241 4.639 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.248 -5.857 5.953 1.00 0.00 C ATOM 1147 C ILE A 70 -5.749 -6.143 5.892 1.00 0.00 C ATOM 1148 O ILE A 70 -5.336 -7.187 5.425 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.891 -6.678 7.067 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.400 -6.408 7.075 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -7.290 -6.270 8.419 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -10.086 -7.252 8.156 1.00 0.00 C ATOM 0 H ILE A 70 -7.504 -7.132 4.269 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.426 -4.802 6.159 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.705 -7.739 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.586 -5.350 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.823 -6.642 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.750 -6.857 9.214 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.215 -6.452 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.477 -5.211 8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.157 -7.050 8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.915 -8.310 7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.674 -6.997 9.132 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.929 -5.224 6.334 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.449 -5.440 6.273 1.00 0.00 C ATOM 1166 C LEU A 71 -2.906 -5.757 7.662 1.00 0.00 C ATOM 1167 O LEU A 71 -3.321 -5.187 8.652 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.786 -4.172 5.745 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.453 -3.762 4.428 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.763 -2.515 3.874 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.356 -4.908 3.409 1.00 0.00 C ATOM 0 H LEU A 71 -5.219 -4.332 6.735 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.233 -6.279 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.876 -3.369 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.721 -4.343 5.589 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.505 -3.543 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.237 -2.223 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.850 -1.701 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.710 -2.731 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.833 -4.607 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.308 -5.141 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.858 -5.790 3.805 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.971 -6.674 7.729 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.364 -7.068 9.034 1.00 0.00 C ATOM 1185 C TYR A 72 0.151 -6.936 8.960 1.00 0.00 C ATOM 1186 O TYR A 72 0.756 -7.130 7.921 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.714 -8.524 9.337 1.00 0.00 C ATOM 1188 CG TYR A 72 -3.173 -8.640 9.706 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -4.143 -8.751 8.704 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.551 -8.649 11.053 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -5.495 -8.868 9.050 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.902 -8.768 11.399 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.873 -8.878 10.398 1.00 0.00 C ATOM 1194 OH TYR A 72 -7.205 -8.998 10.739 1.00 0.00 O ATOM 0 H TYR A 72 -1.599 -7.172 6.920 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.752 -6.417 9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.500 -9.146 8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.094 -8.893 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.849 -8.746 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.801 -8.564 11.825 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.245 -8.950 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.195 -8.775 12.439 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.376 -8.507 11.570 1.00 0.00 H new ATOM 1204 N TYR A 73 0.773 -6.626 10.064 1.00 0.00 N ATOM 1205 CA TYR A 73 2.252 -6.506 10.070 1.00 0.00 C ATOM 1206 C TYR A 73 2.752 -6.508 11.508 1.00 0.00 C ATOM 1207 O TYR A 73 2.960 -5.469 12.098 1.00 0.00 O ATOM 1208 CB TYR A 73 2.676 -5.210 9.385 1.00 0.00 C ATOM 1209 CG TYR A 73 4.182 -5.174 9.294 1.00 0.00 C ATOM 1210 CD1 TYR A 73 4.839 -5.918 8.307 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.922 -4.408 10.202 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.236 -5.894 8.224 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.320 -4.385 10.121 1.00 0.00 C ATOM 1214 CZ TYR A 73 6.976 -5.129 9.134 1.00 0.00 C ATOM 1215 OH TYR A 73 8.353 -5.107 9.055 1.00 0.00 O ATOM 0 H TYR A 73 0.318 -6.451 10.960 1.00 0.00 H new ATOM 0 HA TYR A 73 2.681 -7.350 9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.237 -5.149 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.312 -4.350 9.947 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.267 -6.511 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.415 -3.835 10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.742 -6.464 7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.892 -3.793 10.820 1.00 0.00 H new ATOM 0 HH TYR A 73 8.712 -4.527 9.759 1.00 0.00 H new ATOM 1225 N GLN A 74 2.953 -7.675 12.062 1.00 0.00 N ATOM 1226 CA GLN A 74 3.455 -7.792 13.467 1.00 0.00 C ATOM 1227 C GLN A 74 2.486 -7.115 14.447 1.00 0.00 C ATOM 1228 O GLN A 74 1.868 -7.765 15.268 1.00 0.00 O ATOM 1229 CB GLN A 74 4.838 -7.141 13.577 1.00 0.00 C ATOM 1230 CG GLN A 74 5.399 -7.366 14.982 1.00 0.00 C ATOM 1231 CD GLN A 74 6.848 -6.877 15.033 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.479 -6.705 14.009 1.00 0.00 O ATOM 1233 NE2 GLN A 74 7.404 -6.641 16.189 1.00 0.00 N ATOM 0 H GLN A 74 2.789 -8.567 11.595 1.00 0.00 H new ATOM 0 HA GLN A 74 3.527 -8.849 13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.512 -7.566 12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.766 -6.073 13.369 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.797 -6.831 15.716 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.351 -8.424 15.240 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.874 -6.785 17.049 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.368 -6.312 16.233 1.00 0.00 H new ATOM 1242 N LYS A 75 2.364 -5.819 14.385 1.00 0.00 N ATOM 1243 CA LYS A 75 1.456 -5.106 15.325 1.00 0.00 C ATOM 1244 C LYS A 75 0.000 -5.237 14.861 1.00 0.00 C ATOM 1245 O LYS A 75 -0.587 -4.303 14.349 1.00 0.00 O ATOM 1246 CB LYS A 75 1.853 -3.633 15.374 1.00 0.00 C ATOM 1247 CG LYS A 75 3.201 -3.499 16.090 1.00 0.00 C ATOM 1248 CD LYS A 75 3.672 -2.038 16.056 1.00 0.00 C ATOM 1249 CE LYS A 75 2.909 -1.208 17.096 1.00 0.00 C ATOM 1250 NZ LYS A 75 3.554 0.129 17.236 1.00 0.00 N ATOM 0 H LYS A 75 2.856 -5.221 13.721 1.00 0.00 H new ATOM 0 HA LYS A 75 1.543 -5.547 16.318 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.922 -3.229 14.364 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.091 -3.056 15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.108 -3.836 17.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.942 -4.139 15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.742 -1.989 16.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.514 -1.621 15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.869 -1.092 16.792 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.905 -1.724 18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.431 0.474 18.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.569 0.049 17.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.113 0.798 16.573 1.00 0.00 H new ATOM 1264 N GLN A 76 -0.585 -6.388 15.058 1.00 0.00 N ATOM 1265 CA GLN A 76 -2.009 -6.606 14.658 1.00 0.00 C ATOM 1266 C GLN A 76 -2.295 -5.981 13.288 1.00 0.00 C ATOM 1267 O GLN A 76 -1.423 -5.865 12.443 1.00 0.00 O ATOM 1268 CB GLN A 76 -2.933 -5.977 15.709 1.00 0.00 C ATOM 1269 CG GLN A 76 -2.661 -6.603 17.079 1.00 0.00 C ATOM 1270 CD GLN A 76 -2.971 -8.100 17.034 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -4.042 -8.500 16.621 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -2.074 -8.951 17.448 1.00 0.00 N ATOM 0 H GLN A 76 -0.133 -7.197 15.484 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.191 -7.679 14.593 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.770 -4.900 15.752 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.975 -6.131 15.429 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.620 -6.446 17.361 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.274 -6.118 17.839 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.175 -8.616 17.795 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.271 -9.951 17.425 1.00 0.00 H new ATOM 1281 N LEU A 77 -3.524 -5.596 13.057 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.899 -5.000 11.750 1.00 0.00 C ATOM 1283 C LEU A 77 -3.355 -3.577 11.640 1.00 0.00 C ATOM 1284 O LEU A 77 -3.231 -2.869 12.621 1.00 0.00 O ATOM 1285 CB LEU A 77 -5.425 -4.983 11.617 1.00 0.00 C ATOM 1286 CG LEU A 77 -6.079 -4.294 12.851 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -6.453 -2.842 12.513 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -7.346 -5.059 13.261 1.00 0.00 C ATOM 0 H LEU A 77 -4.288 -5.672 13.728 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.469 -5.601 10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.710 -4.455 10.707 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.798 -6.003 11.524 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.364 -4.299 13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.909 -2.372 13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.555 -2.291 12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.160 -2.832 11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.801 -4.574 14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.054 -5.062 12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.084 -6.085 13.518 1.00 0.00 H new ATOM 1300 N ILE A 78 -3.030 -3.156 10.445 1.00 0.00 N ATOM 1301 CA ILE A 78 -2.482 -1.785 10.242 1.00 0.00 C ATOM 1302 C ILE A 78 -3.545 -0.906 9.580 1.00 0.00 C ATOM 1303 O ILE A 78 -3.733 0.237 9.952 1.00 0.00 O ATOM 1304 CB ILE A 78 -1.275 -1.885 9.313 1.00 0.00 C ATOM 1305 CG1 ILE A 78 -0.266 -2.889 9.888 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.620 -0.515 9.152 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.143 -2.493 11.314 1.00 0.00 C ATOM 0 H ILE A 78 -3.123 -3.710 9.594 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.195 -1.350 11.199 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.605 -2.230 8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.703 -3.888 9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.617 -2.931 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.240 -0.599 8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.340 0.185 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.292 -0.152 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.858 -3.218 11.702 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.601 -1.504 11.300 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.739 -2.476 11.954 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.255 -1.425 8.613 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.307 -0.603 7.947 1.00 0.00 C ATOM 1321 C ALA A 79 -6.455 -1.495 7.487 1.00 0.00 C ATOM 1322 O ALA A 79 -6.298 -2.685 7.293 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.710 0.117 6.738 1.00 0.00 C ATOM 0 H ALA A 79 -4.153 -2.376 8.258 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.685 0.130 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.481 0.716 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.898 0.766 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.324 -0.618 6.031 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.617 -0.916 7.317 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.814 -1.692 6.874 1.00 0.00 C ATOM 1331 C ILE A 80 -9.452 -0.997 5.670 1.00 0.00 C ATOM 1332 O ILE A 80 -9.566 0.212 5.627 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.809 -1.757 8.032 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -9.213 -2.625 9.148 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -11.128 -2.362 7.554 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -10.030 -2.480 10.438 1.00 0.00 C ATOM 0 H ILE A 80 -7.789 0.078 7.469 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.525 -2.702 6.584 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.002 -0.752 8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.198 -3.669 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.179 -2.332 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.831 -2.405 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.544 -1.745 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.951 -3.369 7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.592 -3.103 11.218 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.022 -1.438 10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.057 -2.796 10.256 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.863 -1.749 4.685 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.481 -1.121 3.486 1.00 0.00 C ATOM 1350 C GLY A 81 -11.155 -2.192 2.634 1.00 0.00 C ATOM 1351 O GLY A 81 -10.632 -3.275 2.450 1.00 0.00 O ATOM 0 H GLY A 81 -9.797 -2.767 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.212 -0.373 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.720 -0.603 2.902 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.327 -1.899 2.126 1.00 0.00 N ATOM 1356 CA PHE A 82 -13.077 -2.891 1.294 1.00 0.00 C ATOM 1357 C PHE A 82 -13.031 -2.458 -0.172 1.00 0.00 C ATOM 1358 O PHE A 82 -12.980 -1.282 -0.477 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.547 -2.947 1.768 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.616 -2.552 3.226 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -13.815 -3.211 4.161 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.468 -1.517 3.636 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -13.864 -2.839 5.508 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -15.515 -1.142 4.982 1.00 0.00 C ATOM 1365 CZ PHE A 82 -14.714 -1.804 5.917 1.00 0.00 C ATOM 0 H PHE A 82 -12.801 -1.005 2.254 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.622 -3.876 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.161 -2.275 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.947 -3.952 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.158 -4.007 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.088 -1.009 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.247 -3.350 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.169 -0.343 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.751 -1.517 6.957 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.055 -3.399 -1.082 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.022 -3.045 -2.533 1.00 0.00 C ATOM 1377 C ILE A 83 -14.431 -3.164 -3.119 1.00 0.00 C ATOM 1378 O ILE A 83 -15.021 -4.228 -3.155 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.067 -3.991 -3.253 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.670 -3.830 -2.650 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.030 -3.641 -4.740 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.726 -4.885 -3.226 1.00 0.00 C ATOM 0 H ILE A 83 -13.096 -4.398 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.675 -2.020 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.403 -5.022 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.286 -2.832 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.720 -3.928 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.348 -4.317 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.030 -3.742 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.686 -2.614 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.734 -4.762 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.105 -5.880 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.665 -4.767 -4.308 1.00 0.00 H new ATOM 1394 N ASP A 84 -14.977 -2.062 -3.568 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.353 -2.066 -4.141 1.00 0.00 C ATOM 1396 C ASP A 84 -16.307 -2.397 -5.638 1.00 0.00 C ATOM 1397 O ASP A 84 -15.262 -2.644 -6.206 1.00 0.00 O ATOM 1398 CB ASP A 84 -16.967 -0.676 -3.967 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.325 -0.451 -2.498 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -17.334 -1.419 -1.755 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.588 0.686 -2.141 1.00 0.00 O ATOM 0 H ASP A 84 -14.520 -1.150 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.949 -2.818 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.264 0.087 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.858 -0.581 -4.587 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.449 -2.391 -6.276 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.516 -2.691 -7.736 1.00 0.00 C ATOM 1408 C GLU A 85 -16.788 -1.596 -8.527 1.00 0.00 C ATOM 1409 O GLU A 85 -16.199 -1.850 -9.559 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.987 -2.739 -8.161 1.00 0.00 C ATOM 1411 CG GLU A 85 -19.657 -3.964 -7.538 1.00 0.00 C ATOM 1412 CD GLU A 85 -21.151 -3.969 -7.875 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -21.575 -3.099 -8.617 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.846 -4.841 -7.380 1.00 0.00 O ATOM 0 H GLU A 85 -18.349 -2.188 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.038 -3.649 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.498 -1.830 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.062 -2.783 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.188 -4.875 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.519 -3.954 -6.457 1.00 0.00 H new ATOM 1421 N ASN A 86 -16.827 -0.381 -8.054 1.00 0.00 N ATOM 1422 CA ASN A 86 -16.140 0.724 -8.779 1.00 0.00 C ATOM 1423 C ASN A 86 -14.643 0.685 -8.456 1.00 0.00 C ATOM 1424 O ASN A 86 -13.931 1.646 -8.665 1.00 0.00 O ATOM 1425 CB ASN A 86 -16.735 2.063 -8.340 1.00 0.00 C ATOM 1426 CG ASN A 86 -16.197 3.186 -9.227 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -16.018 3.005 -10.414 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -15.931 4.349 -8.697 1.00 0.00 N ATOM 0 H ASN A 86 -17.305 -0.106 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 86 -16.279 0.606 -9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.823 2.026 -8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.483 2.259 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.573 5.105 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.081 4.501 -7.700 1.00 0.00 H new ATOM 1435 N HIS A 87 -14.170 -0.423 -7.944 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.721 -0.549 -7.597 1.00 0.00 C ATOM 1437 C HIS A 87 -12.326 0.550 -6.605 1.00 0.00 C ATOM 1438 O HIS A 87 -11.167 0.717 -6.277 1.00 0.00 O ATOM 1439 CB HIS A 87 -11.867 -0.438 -8.867 1.00 0.00 C ATOM 1440 CG HIS A 87 -10.414 -0.583 -8.510 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -9.863 -1.796 -8.128 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -9.386 0.326 -8.470 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -8.557 -1.586 -7.879 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -8.215 -0.309 -8.072 1.00 0.00 N ATOM 0 H HIS A 87 -14.730 -1.253 -7.750 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.549 -1.522 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.156 -1.210 -9.580 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -12.039 0.524 -9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.474 1.375 -8.711 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.869 -2.356 -7.562 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.293 0.110 -7.953 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.280 1.294 -6.123 1.00 0.00 N ATOM 1453 CA ASP A 88 -12.967 2.378 -5.151 1.00 0.00 C ATOM 1454 C ASP A 88 -12.740 1.778 -3.758 1.00 0.00 C ATOM 1455 O ASP A 88 -13.612 1.150 -3.187 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.135 3.361 -5.113 1.00 0.00 C ATOM 1457 CG ASP A 88 -13.833 4.492 -4.129 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -12.839 4.394 -3.429 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -14.602 5.438 -4.094 1.00 0.00 O ATOM 0 H ASP A 88 -14.267 1.198 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.060 2.899 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.310 3.770 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.047 2.844 -4.817 1.00 0.00 H new ATOM 1464 N MET A 89 -11.567 1.966 -3.212 1.00 0.00 N ATOM 1465 CA MET A 89 -11.267 1.409 -1.865 1.00 0.00 C ATOM 1466 C MET A 89 -11.882 2.304 -0.786 1.00 0.00 C ATOM 1467 O MET A 89 -11.563 3.472 -0.675 1.00 0.00 O ATOM 1468 CB MET A 89 -9.748 1.353 -1.686 1.00 0.00 C ATOM 1469 CG MET A 89 -9.170 0.306 -2.640 1.00 0.00 C ATOM 1470 SD MET A 89 -7.375 0.210 -2.428 1.00 0.00 S ATOM 1471 CE MET A 89 -7.034 -0.844 -3.859 1.00 0.00 C ATOM 0 H MET A 89 -10.802 2.484 -3.645 1.00 0.00 H new ATOM 0 HA MET A 89 -11.689 0.408 -1.775 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.309 2.330 -1.889 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.500 1.100 -0.655 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.621 -0.667 -2.444 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.410 0.567 -3.671 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.055 -1.308 -3.744 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.797 -1.619 -3.930 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.045 -0.240 -4.766 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.764 1.759 0.014 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.410 2.563 1.094 1.00 0.00 C ATOM 1483 C ASP A 90 -12.694 2.313 2.418 1.00 0.00 C ATOM 1484 O ASP A 90 -12.712 1.221 2.953 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.879 2.157 1.223 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.670 2.726 0.043 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.144 3.594 -0.637 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.787 2.284 -0.164 1.00 0.00 O ATOM 0 H ASP A 90 -13.065 0.786 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.346 3.622 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.967 1.071 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.289 2.528 2.162 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.059 3.321 2.949 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.335 3.159 4.236 1.00 0.00 C ATOM 1495 C PHE A 91 -12.306 3.360 5.393 1.00 0.00 C ATOM 1496 O PHE A 91 -13.006 4.351 5.463 1.00 0.00 O ATOM 1497 CB PHE A 91 -10.226 4.204 4.316 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.291 4.016 3.148 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.289 3.044 3.212 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.435 4.802 1.998 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.422 2.860 2.130 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.569 4.617 0.914 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.564 3.645 0.979 1.00 0.00 C ATOM 0 H PHE A 91 -12.012 4.255 2.542 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.905 2.159 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.652 5.207 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.681 4.104 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.184 2.435 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.213 5.550 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.644 2.113 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.676 5.224 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.898 3.500 0.141 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.353 2.419 6.300 1.00 0.00 N ATOM 1514 CA LEU A 92 -13.275 2.530 7.469 1.00 0.00 C ATOM 1515 C LEU A 92 -12.448 2.795 8.722 1.00 0.00 C ATOM 1516 O LEU A 92 -12.875 3.476 9.633 1.00 0.00 O ATOM 1517 CB LEU A 92 -14.031 1.211 7.632 1.00 0.00 C ATOM 1518 CG LEU A 92 -15.088 1.344 8.738 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -16.197 2.322 8.304 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.694 -0.034 9.025 1.00 0.00 C ATOM 0 H LEU A 92 -11.787 1.571 6.280 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.984 3.343 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.509 0.938 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.333 0.411 7.879 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.615 1.733 9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.939 2.406 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.762 3.302 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.676 1.950 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.445 0.055 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.160 -0.422 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.909 -0.716 9.350 1.00 0.00 H new ATOM 1532 N TYR A 93 -11.260 2.262 8.775 1.00 0.00 N ATOM 1533 CA TYR A 93 -10.394 2.485 9.962 1.00 0.00 C ATOM 1534 C TYR A 93 -8.941 2.445 9.523 1.00 0.00 C ATOM 1535 O TYR A 93 -8.472 1.451 9.004 1.00 0.00 O ATOM 1536 CB TYR A 93 -10.641 1.389 10.997 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.684 1.564 12.151 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -10.011 2.423 13.206 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -8.467 0.873 12.163 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -9.121 2.593 14.273 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.576 1.042 13.229 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.904 1.902 14.284 1.00 0.00 C ATOM 1543 OH TYR A 93 -7.025 2.071 15.336 1.00 0.00 O ATOM 0 H TYR A 93 -10.851 1.680 8.044 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.624 3.453 10.406 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.670 1.435 11.353 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.505 0.407 10.543 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.951 2.955 13.197 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.215 0.209 11.349 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.373 3.257 15.087 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.636 0.510 13.238 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.159 2.956 15.735 1.00 0.00 H new ATOM 1553 N LEU A 94 -8.223 3.518 9.729 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.785 3.560 9.325 1.00 0.00 C ATOM 1555 C LEU A 94 -5.917 3.860 10.542 1.00 0.00 C ATOM 1556 O LEU A 94 -6.137 4.816 11.260 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.589 4.656 8.270 1.00 0.00 C ATOM 1558 CG LEU A 94 -5.100 4.785 7.907 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.545 3.427 7.440 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.947 5.817 6.783 1.00 0.00 C ATOM 0 H LEU A 94 -8.573 4.373 10.162 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.495 2.595 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.169 4.420 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.962 5.607 8.650 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.542 5.107 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.490 3.533 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.654 2.695 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.097 3.091 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.894 5.915 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.511 5.490 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.327 6.781 7.120 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.911 3.058 10.766 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.997 3.294 11.918 1.00 0.00 C ATOM 1574 C HIS A 95 -2.566 2.973 11.495 1.00 0.00 C ATOM 1575 O HIS A 95 -2.281 1.912 10.977 1.00 0.00 O ATOM 1576 CB HIS A 95 -4.397 2.401 13.087 1.00 0.00 C ATOM 1577 CG HIS A 95 -3.573 2.773 14.285 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -2.356 2.170 14.558 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -3.767 3.695 15.281 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -1.867 2.733 15.678 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -2.689 3.668 16.161 1.00 0.00 N ATOM 0 H HIS A 95 -4.683 2.244 10.195 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.064 4.337 12.228 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.458 2.520 13.307 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.240 1.353 12.832 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.626 4.344 15.369 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.925 2.462 16.131 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.556 4.239 16.995 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.663 3.892 11.704 1.00 0.00 N ATOM 1590 CA ASN A 96 -0.244 3.667 11.310 1.00 0.00 C ATOM 1591 C ASN A 96 0.535 3.031 12.465 1.00 0.00 C ATOM 1592 O ASN A 96 -0.001 2.755 13.520 1.00 0.00 O ATOM 1593 CB ASN A 96 0.395 5.007 10.949 1.00 0.00 C ATOM 1594 CG ASN A 96 1.744 4.764 10.273 1.00 0.00 C ATOM 1595 OD1 ASN A 96 1.914 3.791 9.565 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.715 5.615 10.456 1.00 0.00 N ATOM 0 H ASN A 96 -1.850 4.797 12.135 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.216 2.995 10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.262 5.567 10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.530 5.611 11.846 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.617 5.464 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.572 6.432 11.050 1.00 0.00 H new ATOM 1603 N THR A 97 1.803 2.790 12.260 1.00 0.00 N ATOM 1604 CA THR A 97 2.641 2.170 13.326 1.00 0.00 C ATOM 1605 C THR A 97 2.737 3.111 14.528 1.00 0.00 C ATOM 1606 O THR A 97 2.838 2.681 15.660 1.00 0.00 O ATOM 1607 CB THR A 97 4.040 1.922 12.765 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.543 3.130 12.215 1.00 0.00 O ATOM 1609 CG2 THR A 97 3.971 0.854 11.673 1.00 0.00 C ATOM 0 H THR A 97 2.297 2.998 11.392 1.00 0.00 H new ATOM 0 HA THR A 97 2.191 1.231 13.646 1.00 0.00 H new ATOM 0 HB THR A 97 4.699 1.580 13.563 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.442 2.976 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.970 0.677 11.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.580 -0.072 12.094 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.314 1.194 10.872 1.00 0.00 H new ATOM 1617 N VAL A 98 2.713 4.392 14.296 1.00 0.00 N ATOM 1618 CA VAL A 98 2.806 5.348 15.428 1.00 0.00 C ATOM 1619 C VAL A 98 2.342 6.724 14.951 1.00 0.00 C ATOM 1620 O VAL A 98 2.867 7.745 15.346 1.00 0.00 O ATOM 1621 CB VAL A 98 4.263 5.407 15.918 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.151 6.070 14.852 1.00 0.00 C ATOM 1623 CG2 VAL A 98 4.351 6.202 17.236 1.00 0.00 C ATOM 0 H VAL A 98 2.633 4.817 13.372 1.00 0.00 H new ATOM 0 HA VAL A 98 2.171 5.026 16.254 1.00 0.00 H new ATOM 0 HB VAL A 98 4.613 4.390 16.094 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.181 6.107 15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.107 5.491 13.930 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.796 7.083 14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.387 6.236 17.572 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.989 7.217 17.074 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.739 5.716 17.996 1.00 0.00 H new ATOM 1633 N MET A 99 1.345 6.754 14.109 1.00 0.00 N ATOM 1634 CA MET A 99 0.829 8.056 13.607 1.00 0.00 C ATOM 1635 C MET A 99 -0.559 7.850 12.994 1.00 0.00 C ATOM 1636 O MET A 99 -0.711 7.799 11.790 1.00 0.00 O ATOM 1637 CB MET A 99 1.778 8.618 12.539 1.00 0.00 C ATOM 1638 CG MET A 99 1.221 9.936 11.987 1.00 0.00 C ATOM 1639 SD MET A 99 2.563 10.894 11.236 1.00 0.00 S ATOM 1640 CE MET A 99 2.959 11.906 12.683 1.00 0.00 C ATOM 0 H MET A 99 0.865 5.930 13.747 1.00 0.00 H new ATOM 0 HA MET A 99 0.765 8.760 14.437 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.766 8.782 12.968 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.898 7.897 11.731 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.446 9.734 11.247 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.755 10.510 12.788 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.777 12.584 12.440 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.082 12.485 12.973 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.257 11.260 13.509 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.568 7.733 13.816 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.969 7.536 13.341 1.00 0.00 C ATOM 1652 C PRO A 100 -3.440 8.717 12.485 1.00 0.00 C ATOM 1653 O PRO A 100 -3.085 9.852 12.734 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.801 7.423 14.636 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.811 7.151 15.732 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.487 7.771 15.282 1.00 0.00 C ATOM 0 HA PRO A 100 -3.067 6.656 12.705 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.354 8.342 14.827 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.534 6.619 14.562 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.144 7.588 16.673 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.701 6.079 15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.376 8.791 15.651 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.633 7.204 15.651 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.235 8.452 11.476 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.735 9.545 10.584 1.00 0.00 C ATOM 1666 C LEU A 101 -6.263 9.518 10.555 1.00 0.00 C ATOM 1667 O LEU A 101 -6.923 10.306 11.205 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.204 9.306 9.170 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.675 9.224 9.194 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.169 8.911 7.782 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -2.081 10.560 9.674 1.00 0.00 C ATOM 0 H LEU A 101 -4.561 7.517 11.231 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.395 10.512 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.620 8.383 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.523 10.113 8.511 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.365 8.436 9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.081 8.851 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.582 7.959 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.483 9.701 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.993 10.491 9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.386 11.358 8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.443 10.779 10.679 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.833 8.616 9.802 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.320 8.533 9.726 1.00 0.00 C ATOM 1685 C LEU A 102 -8.817 7.605 10.833 1.00 0.00 C ATOM 1686 O LEU A 102 -9.752 6.848 10.656 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.722 7.989 8.338 1.00 0.00 C ATOM 1688 CG LEU A 102 -10.002 8.674 7.846 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.330 8.190 6.431 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -11.157 8.330 8.786 1.00 0.00 C ATOM 0 H LEU A 102 -6.332 7.932 9.235 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.768 9.518 9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.914 8.159 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.877 6.911 8.394 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.855 9.754 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.240 8.677 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.506 8.437 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.478 7.110 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.068 8.817 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.305 7.250 8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.923 8.677 9.792 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.186 7.647 11.972 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.607 6.762 13.087 1.00 0.00 C ATOM 1704 C ASP A 103 -9.757 7.421 13.851 1.00 0.00 C ATOM 1705 O ASP A 103 -9.542 8.250 14.715 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.417 6.553 14.019 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.813 5.618 15.161 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.561 6.049 16.021 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.355 4.486 15.157 1.00 0.00 O ATOM 0 H ASP A 103 -7.395 8.258 12.177 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.944 5.801 12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.579 6.131 13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.084 7.511 14.419 1.00 0.00 H new ATOM 1714 N GLN A 104 -10.979 7.049 13.542 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.161 7.634 14.247 1.00 0.00 C ATOM 1716 C GLN A 104 -12.962 6.517 14.918 1.00 0.00 C ATOM 1717 O GLN A 104 -13.515 5.650 14.269 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.043 8.378 13.238 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.323 9.653 12.793 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.162 10.388 11.748 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.257 9.972 11.430 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.693 11.478 11.202 1.00 0.00 N ATOM 0 H GLN A 104 -11.207 6.360 12.826 1.00 0.00 H new ATOM 0 HA GLN A 104 -11.821 8.335 15.009 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.249 7.742 12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.004 8.626 13.689 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.148 10.301 13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.347 9.403 12.378 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.773 11.827 11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.247 11.980 10.508 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.017 6.541 16.220 1.00 0.00 N ATOM 1732 CA ARG A 105 -13.771 5.506 16.979 1.00 0.00 C ATOM 1733 C ARG A 105 -15.269 5.650 16.702 1.00 0.00 C ATOM 1734 O ARG A 105 -16.000 4.681 16.653 1.00 0.00 O ATOM 1735 CB ARG A 105 -13.507 5.703 18.472 1.00 0.00 C ATOM 1736 CG ARG A 105 -12.056 5.335 18.795 1.00 0.00 C ATOM 1737 CD ARG A 105 -11.762 5.644 20.268 1.00 0.00 C ATOM 1738 NE ARG A 105 -12.614 4.778 21.130 1.00 0.00 N ATOM 1739 CZ ARG A 105 -12.618 4.934 22.429 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -11.850 5.830 22.987 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -13.390 4.186 23.169 1.00 0.00 N ATOM 0 H ARG A 105 -12.563 7.247 16.800 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.447 4.512 16.670 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.700 6.739 18.751 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.188 5.083 19.056 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.885 4.277 18.594 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.377 5.895 18.153 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.708 5.469 20.485 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.961 6.695 20.478 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.198 4.058 20.705 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.243 6.412 22.410 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.857 5.948 24.000 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.987 3.483 22.734 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.396 4.305 24.182 1.00 0.00 H new ATOM 1755 N TYR A 106 -15.735 6.858 16.548 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.188 7.070 16.300 1.00 0.00 C ATOM 1757 C TYR A 106 -17.596 6.348 15.019 1.00 0.00 C ATOM 1758 O TYR A 106 -18.602 5.668 14.969 1.00 0.00 O ATOM 1759 CB TYR A 106 -17.454 8.565 16.140 1.00 0.00 C ATOM 1760 CG TYR A 106 -16.930 9.296 17.353 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -17.691 9.343 18.526 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -15.679 9.923 17.303 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.198 10.015 19.652 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -15.187 10.597 18.428 1.00 0.00 C ATOM 1765 CZ TYR A 106 -15.947 10.641 19.603 1.00 0.00 C ATOM 1766 OH TYR A 106 -15.461 11.301 20.715 1.00 0.00 O ATOM 0 H TYR A 106 -15.172 7.708 16.583 1.00 0.00 H new ATOM 0 HA TYR A 106 -17.764 6.678 17.138 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.969 8.938 15.238 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.523 8.746 16.025 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.657 8.862 18.563 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.093 9.887 16.396 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -17.784 10.050 20.559 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.223 11.082 18.389 1.00 0.00 H new ATOM 0 HH TYR A 106 -14.580 11.679 20.512 1.00 0.00 H new ATOM 1776 N LEU A 107 -16.830 6.495 13.978 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.183 5.818 12.704 1.00 0.00 C ATOM 1778 C LEU A 107 -17.129 4.303 12.901 1.00 0.00 C ATOM 1779 O LEU A 107 -17.982 3.574 12.435 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.179 6.225 11.619 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.528 5.538 10.289 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.941 5.942 9.834 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -15.498 5.943 9.221 1.00 0.00 C ATOM 0 H LEU A 107 -15.977 7.053 13.954 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.189 6.110 12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.189 7.307 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.170 5.950 11.925 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.504 4.457 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.175 5.448 8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.666 5.642 10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.984 7.023 9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.743 5.457 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.518 7.025 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.502 5.634 9.540 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.117 3.821 13.562 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.993 2.349 13.756 1.00 0.00 C ATOM 1797 C LEU A 108 -17.020 1.861 14.779 1.00 0.00 C ATOM 1798 O LEU A 108 -17.932 1.123 14.459 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.572 2.019 14.245 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.179 0.591 13.822 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -15.235 -0.400 14.327 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.056 0.497 12.280 1.00 0.00 C ATOM 0 H LEU A 108 -15.371 4.380 13.976 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.180 1.846 12.807 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.862 2.736 13.832 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.523 2.111 15.330 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.212 0.344 14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.958 -1.411 14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.294 -0.346 15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -16.205 -0.148 13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.778 -0.519 11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.012 0.751 11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.291 1.192 11.933 1.00 0.00 H new