USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 993 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 99 ASN : amide:sc= -2.07! X(o=-0.86!,f=-0.85) USER MOD Set 1.2: A 102 TYR OH : rot -107:sc= 1.21 USER MOD Set 2.1: A 31 TYR OH : rot -136:sc= 1.14 USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.977 USER MOD Single : A 1 LYS N :NH3+ -165:sc= -0.0435 (180deg=-0.318) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000751) USER MOD Single : A 8 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -130:sc= -0.179 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00455 (180deg=-0.147) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 71:sc= 1.31 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.111 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00744 USER MOD Single : A 32 GLN : amide:sc= 0.0126 X(o=0.013,f=-0.049) USER MOD Single : A 34 SER OG : rot 71:sc= 0.012 USER MOD Single : A 37 THR OG1 : rot 56:sc= 1.22 USER MOD Single : A 41 THR OG1 : rot 63:sc= 1.18 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.86) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 1.61 (180deg=1.13) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -0.113 (180deg=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.462) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc=-0.00552 (180deg=-0.0915) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 155:sc= -0.264 (180deg=-1.17) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.37 (180deg=1.24) USER MOD Single : A 81 GLN : amide:sc= 0.481 K(o=0.48,f=-0.023) USER MOD Single : A 84 THR OG1 : rot 55:sc= 1.21 USER MOD Single : A 87 MET CE :methyl -151:sc= -3.89! (180deg=-5.47!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 93 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.0556 (180deg=-0.442) USER MOD Single : A 95 MET CE :methyl 180:sc= -4.5! (180deg=-4.5!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.0635 (180deg=-0.365) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-2.6!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.0042 X(o=-0.0042,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -32.212 4.340 -11.889 1.00 0.00 N ATOM 2 CA LYS A 1 -32.485 3.761 -10.553 1.00 0.00 C ATOM 3 C LYS A 1 -31.411 2.743 -10.189 1.00 0.00 C ATOM 4 O LYS A 1 -31.498 1.574 -10.565 1.00 0.00 O ATOM 5 CB LYS A 1 -33.866 3.091 -10.529 1.00 0.00 C ATOM 6 CG LYS A 1 -35.010 4.038 -10.856 1.00 0.00 C ATOM 7 CD LYS A 1 -36.350 3.323 -10.876 1.00 0.00 C ATOM 8 CE LYS A 1 -37.485 4.284 -11.201 1.00 0.00 C ATOM 9 NZ LYS A 1 -38.803 3.596 -11.241 1.00 0.00 N ATOM 0 H1 LYS A 1 -32.786 5.197 -12.020 1.00 0.00 H new ATOM 0 H2 LYS A 1 -31.204 4.584 -11.962 1.00 0.00 H new ATOM 0 H3 LYS A 1 -32.454 3.646 -12.624 1.00 0.00 H new ATOM 0 HA LYS A 1 -32.473 4.568 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -33.873 2.267 -11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -34.034 2.660 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -35.038 4.841 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -34.831 4.501 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -36.326 2.522 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -36.531 2.858 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -37.513 5.078 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -37.294 4.758 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -39.548 4.286 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -38.786 2.855 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -38.998 3.165 -10.315 1.00 0.00 H new ATOM 25 N SER A 2 -30.388 3.200 -9.484 1.00 0.00 N ATOM 26 CA SER A 2 -29.289 2.337 -9.082 1.00 0.00 C ATOM 27 C SER A 2 -28.740 2.751 -7.721 1.00 0.00 C ATOM 28 O SER A 2 -28.930 3.887 -7.283 1.00 0.00 O ATOM 29 CB SER A 2 -28.173 2.382 -10.129 1.00 0.00 C ATOM 30 OG SER A 2 -28.638 1.934 -11.393 1.00 0.00 O ATOM 0 H SER A 2 -30.296 4.168 -9.177 1.00 0.00 H new ATOM 0 HA SER A 2 -29.669 1.318 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.795 3.400 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.340 1.759 -9.803 1.00 0.00 H new ATOM 0 HG SER A 2 -27.906 1.974 -12.044 1.00 0.00 H new ATOM 36 N VAL A 3 -28.079 1.816 -7.053 1.00 0.00 N ATOM 37 CA VAL A 3 -27.442 2.088 -5.769 1.00 0.00 C ATOM 38 C VAL A 3 -25.935 2.221 -5.949 1.00 0.00 C ATOM 39 O VAL A 3 -25.333 3.206 -5.521 1.00 0.00 O ATOM 40 CB VAL A 3 -27.740 0.975 -4.739 1.00 0.00 C ATOM 41 CG1 VAL A 3 -27.080 1.280 -3.400 1.00 0.00 C ATOM 42 CG2 VAL A 3 -29.239 0.793 -4.564 1.00 0.00 C ATOM 0 H VAL A 3 -27.969 0.856 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.853 3.024 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.321 0.044 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.305 0.481 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.001 1.352 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.461 2.225 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.427 0.005 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.680 1.726 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.686 0.518 -5.519 1.00 0.00 H new ATOM 52 N GLN A 4 -25.329 1.229 -6.594 1.00 0.00 N ATOM 53 CA GLN A 4 -23.896 1.256 -6.852 1.00 0.00 C ATOM 54 C GLN A 4 -23.594 1.788 -8.252 1.00 0.00 C ATOM 55 O GLN A 4 -24.485 1.905 -9.096 1.00 0.00 O ATOM 56 CB GLN A 4 -23.276 -0.133 -6.669 1.00 0.00 C ATOM 57 CG GLN A 4 -23.309 -0.630 -5.232 1.00 0.00 C ATOM 58 CD GLN A 4 -22.380 -1.809 -5.001 1.00 0.00 C ATOM 59 OE1 GLN A 4 -21.208 -1.633 -4.668 1.00 0.00 O ATOM 60 NE2 GLN A 4 -22.891 -3.017 -5.166 1.00 0.00 N ATOM 0 H GLN A 4 -25.807 0.400 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 4 -23.448 1.933 -6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -23.805 -0.844 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -22.242 -0.108 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -23.030 0.184 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -24.328 -0.919 -4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -23.867 -3.125 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.309 -3.842 -5.017 1.00 0.00 H new ATOM 69 N GLU A 5 -22.324 2.088 -8.482 1.00 0.00 N ATOM 70 CA GLU A 5 -21.868 2.704 -9.723 1.00 0.00 C ATOM 71 C GLU A 5 -21.575 1.658 -10.798 1.00 0.00 C ATOM 72 O GLU A 5 -21.396 0.475 -10.501 1.00 0.00 O ATOM 73 CB GLU A 5 -20.595 3.504 -9.442 1.00 0.00 C ATOM 74 CG GLU A 5 -20.709 4.996 -9.699 1.00 0.00 C ATOM 75 CD GLU A 5 -20.943 5.329 -11.156 1.00 0.00 C ATOM 76 OE1 GLU A 5 -20.319 4.685 -12.027 1.00 0.00 O ATOM 77 OE2 GLU A 5 -21.729 6.255 -11.434 1.00 0.00 O ATOM 0 H GLU A 5 -21.576 1.911 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.661 3.355 -10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.308 3.350 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.789 3.104 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.528 5.400 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.797 5.488 -9.362 1.00 0.00 H new ATOM 84 N LYS A 6 -21.516 2.108 -12.046 1.00 0.00 N ATOM 85 CA LYS A 6 -21.048 1.275 -13.147 1.00 0.00 C ATOM 86 C LYS A 6 -19.528 1.257 -13.145 1.00 0.00 C ATOM 87 O LYS A 6 -18.896 0.229 -13.391 1.00 0.00 O ATOM 88 CB LYS A 6 -21.547 1.810 -14.493 1.00 0.00 C ATOM 89 CG LYS A 6 -22.936 1.336 -14.894 1.00 0.00 C ATOM 90 CD LYS A 6 -23.336 1.928 -16.237 1.00 0.00 C ATOM 91 CE LYS A 6 -24.513 1.196 -16.863 1.00 0.00 C ATOM 92 NZ LYS A 6 -25.736 1.248 -16.019 1.00 0.00 N ATOM 0 H LYS A 6 -21.788 3.052 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.440 0.267 -13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.547 2.899 -14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.840 1.516 -15.269 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.953 0.248 -14.951 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.659 1.627 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.593 2.979 -16.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.484 1.890 -16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.730 1.633 -17.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.239 0.155 -17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.511 0.749 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.546 0.792 -15.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -26.008 2.240 -15.862 1.00 0.00 H new ATOM 106 N ARG A 7 -18.954 2.412 -12.834 1.00 0.00 N ATOM 107 CA ARG A 7 -17.510 2.580 -12.783 1.00 0.00 C ATOM 108 C ARG A 7 -16.966 2.067 -11.456 1.00 0.00 C ATOM 109 O ARG A 7 -15.755 1.983 -11.255 1.00 0.00 O ATOM 110 CB ARG A 7 -17.166 4.060 -12.961 1.00 0.00 C ATOM 111 CG ARG A 7 -17.595 4.621 -14.308 1.00 0.00 C ATOM 112 CD ARG A 7 -17.704 6.136 -14.280 1.00 0.00 C ATOM 113 NE ARG A 7 -18.827 6.586 -13.457 1.00 0.00 N ATOM 114 CZ ARG A 7 -19.084 7.863 -13.174 1.00 0.00 C ATOM 115 NH1 ARG A 7 -18.261 8.818 -13.590 1.00 0.00 N ATOM 116 NH2 ARG A 7 -20.161 8.182 -12.464 1.00 0.00 N ATOM 0 H ARG A 7 -19.478 3.258 -12.610 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.051 2.005 -13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.644 4.635 -12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.090 4.192 -12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.877 4.322 -15.071 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.557 4.193 -14.590 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.777 6.560 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.826 6.510 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.453 5.877 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.429 8.576 -14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.461 9.794 -13.372 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.791 7.450 -12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.358 9.159 -12.247 1.00 0.00 H new ATOM 130 N ASN A 8 -17.892 1.719 -10.564 1.00 0.00 N ATOM 131 CA ASN A 8 -17.568 1.234 -9.224 1.00 0.00 C ATOM 132 C ASN A 8 -16.758 2.276 -8.455 1.00 0.00 C ATOM 133 O ASN A 8 -15.557 2.117 -8.232 1.00 0.00 O ATOM 134 CB ASN A 8 -16.811 -0.099 -9.289 1.00 0.00 C ATOM 135 CG ASN A 8 -16.752 -0.808 -7.949 1.00 0.00 C ATOM 136 OD1 ASN A 8 -17.625 -1.612 -7.623 1.00 0.00 O ATOM 137 ND2 ASN A 8 -15.728 -0.515 -7.164 1.00 0.00 N ATOM 0 H ASN A 8 -18.893 1.766 -10.752 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.504 1.064 -8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.293 -0.750 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.796 0.082 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.641 -0.961 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.025 0.157 -7.472 1.00 0.00 H new ATOM 144 N ASN A 9 -17.421 3.359 -8.076 1.00 0.00 N ATOM 145 CA ASN A 9 -16.772 4.414 -7.316 1.00 0.00 C ATOM 146 C ASN A 9 -16.926 4.142 -5.832 1.00 0.00 C ATOM 147 O ASN A 9 -18.035 4.156 -5.299 1.00 0.00 O ATOM 148 CB ASN A 9 -17.364 5.784 -7.666 1.00 0.00 C ATOM 149 CG ASN A 9 -16.572 6.928 -7.054 1.00 0.00 C ATOM 150 OD1 ASN A 9 -15.597 7.398 -7.638 1.00 0.00 O ATOM 151 ND2 ASN A 9 -16.989 7.395 -5.884 1.00 0.00 N ATOM 0 H ASN A 9 -18.405 3.529 -8.282 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.713 4.427 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.388 5.901 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.396 5.832 -7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.496 8.170 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.802 6.979 -5.430 1.00 0.00 H new ATOM 158 N THR A 10 -15.820 3.855 -5.176 1.00 0.00 N ATOM 159 CA THR A 10 -15.831 3.578 -3.754 1.00 0.00 C ATOM 160 C THR A 10 -14.608 4.195 -3.094 1.00 0.00 C ATOM 161 O THR A 10 -13.477 3.937 -3.508 1.00 0.00 O ATOM 162 CB THR A 10 -15.847 2.058 -3.482 1.00 0.00 C ATOM 163 OG1 THR A 10 -16.908 1.439 -4.223 1.00 0.00 O ATOM 164 CG2 THR A 10 -16.033 1.774 -1.999 1.00 0.00 C ATOM 0 H THR A 10 -14.897 3.807 -5.608 1.00 0.00 H new ATOM 0 HA THR A 10 -16.737 4.016 -3.334 1.00 0.00 H new ATOM 0 HB THR A 10 -14.889 1.646 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.911 0.475 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.041 0.697 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.213 2.222 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.978 2.200 -1.663 1.00 0.00 H new ATOM 172 N ARG A 11 -14.834 5.015 -2.077 1.00 0.00 N ATOM 173 CA ARG A 11 -13.741 5.645 -1.354 1.00 0.00 C ATOM 174 C ARG A 11 -13.163 4.665 -0.338 1.00 0.00 C ATOM 175 O ARG A 11 -13.221 4.873 0.874 1.00 0.00 O ATOM 176 CB ARG A 11 -14.214 6.932 -0.671 1.00 0.00 C ATOM 177 CG ARG A 11 -13.096 7.716 -0.006 1.00 0.00 C ATOM 178 CD ARG A 11 -13.602 9.017 0.595 1.00 0.00 C ATOM 179 NE ARG A 11 -14.820 8.822 1.385 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.878 8.156 2.538 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.780 7.617 3.058 1.00 0.00 N ATOM 182 NH2 ARG A 11 -16.044 8.027 3.156 1.00 0.00 N ATOM 0 H ARG A 11 -15.764 5.259 -1.735 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.957 5.916 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.701 7.567 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.965 6.681 0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.640 7.108 0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.318 7.932 -0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.826 9.450 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.799 9.732 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.686 9.225 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.887 7.712 2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.830 7.108 3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.885 8.435 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.100 7.519 4.039 1.00 0.00 H new ATOM 196 N ALA A 12 -12.650 3.568 -0.861 1.00 0.00 N ATOM 197 CA ALA A 12 -12.022 2.537 -0.058 1.00 0.00 C ATOM 198 C ALA A 12 -10.629 2.269 -0.589 1.00 0.00 C ATOM 199 O ALA A 12 -10.392 2.399 -1.791 1.00 0.00 O ATOM 200 CB ALA A 12 -12.855 1.264 -0.085 1.00 0.00 C ATOM 0 H ALA A 12 -12.657 3.366 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.954 2.876 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.371 0.499 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.848 1.470 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.944 0.909 -1.112 1.00 0.00 H new ATOM 206 N PHE A 13 -9.716 1.897 0.302 1.00 0.00 N ATOM 207 CA PHE A 13 -8.325 1.650 -0.078 1.00 0.00 C ATOM 208 C PHE A 13 -8.243 0.670 -1.248 1.00 0.00 C ATOM 209 O PHE A 13 -7.423 0.831 -2.147 1.00 0.00 O ATOM 210 CB PHE A 13 -7.534 1.105 1.115 1.00 0.00 C ATOM 211 CG PHE A 13 -6.043 1.096 0.900 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.417 0.012 0.303 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.271 2.177 1.295 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.049 0.009 0.104 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.904 2.177 1.100 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.293 1.094 0.504 1.00 0.00 C ATOM 0 H PHE A 13 -9.912 1.759 1.293 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.889 2.599 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.762 1.706 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.868 0.089 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.004 -0.839 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.744 3.029 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.572 -0.840 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.314 3.025 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.224 1.094 0.350 1.00 0.00 H new ATOM 226 N LYS A 14 -9.123 -0.322 -1.235 1.00 0.00 N ATOM 227 CA LYS A 14 -9.143 -1.368 -2.253 1.00 0.00 C ATOM 228 C LYS A 14 -9.349 -0.786 -3.652 1.00 0.00 C ATOM 229 O LYS A 14 -8.532 -0.987 -4.550 1.00 0.00 O ATOM 230 CB LYS A 14 -10.266 -2.357 -1.950 1.00 0.00 C ATOM 231 CG LYS A 14 -10.280 -2.843 -0.511 1.00 0.00 C ATOM 232 CD LYS A 14 -11.406 -3.838 -0.276 1.00 0.00 C ATOM 233 CE LYS A 14 -11.257 -5.063 -1.162 1.00 0.00 C ATOM 234 NZ LYS A 14 -12.381 -6.015 -0.986 1.00 0.00 N ATOM 0 H LYS A 14 -9.843 -0.426 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.178 -1.874 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.223 -1.886 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.170 -3.216 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.324 -3.309 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.396 -1.993 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.412 -4.143 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.365 -3.358 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.205 -4.752 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.317 -5.565 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.241 -6.836 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.415 -6.332 0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.276 -5.545 -1.230 1.00 0.00 H new ATOM 248 N THR A 15 -10.444 -0.058 -3.821 1.00 0.00 N ATOM 249 CA THR A 15 -10.818 0.476 -5.121 1.00 0.00 C ATOM 250 C THR A 15 -9.836 1.554 -5.577 1.00 0.00 C ATOM 251 O THR A 15 -9.527 1.679 -6.766 1.00 0.00 O ATOM 252 CB THR A 15 -12.243 1.057 -5.068 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.122 0.107 -4.447 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.755 1.391 -6.462 1.00 0.00 C ATOM 0 H THR A 15 -11.092 0.177 -3.069 1.00 0.00 H new ATOM 0 HA THR A 15 -10.789 -0.342 -5.841 1.00 0.00 H new ATOM 0 HB THR A 15 -12.217 1.978 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.917 -0.017 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.763 1.799 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.097 2.127 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.772 0.486 -7.070 1.00 0.00 H new ATOM 262 N VAL A 16 -9.333 2.321 -4.624 1.00 0.00 N ATOM 263 CA VAL A 16 -8.404 3.395 -4.929 1.00 0.00 C ATOM 264 C VAL A 16 -7.028 2.843 -5.295 1.00 0.00 C ATOM 265 O VAL A 16 -6.359 3.369 -6.184 1.00 0.00 O ATOM 266 CB VAL A 16 -8.298 4.386 -3.756 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.256 5.458 -4.042 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.662 5.012 -3.491 1.00 0.00 C ATOM 0 H VAL A 16 -9.553 2.220 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.793 3.934 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.978 3.845 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.200 6.146 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.284 4.989 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.537 6.008 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.585 5.713 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.999 5.541 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.379 4.230 -3.241 1.00 0.00 H new ATOM 278 N ALA A 17 -6.615 1.771 -4.624 1.00 0.00 N ATOM 279 CA ALA A 17 -5.368 1.092 -4.963 1.00 0.00 C ATOM 280 C ALA A 17 -5.400 0.612 -6.409 1.00 0.00 C ATOM 281 O ALA A 17 -4.395 0.669 -7.115 1.00 0.00 O ATOM 282 CB ALA A 17 -5.116 -0.074 -4.023 1.00 0.00 C ATOM 0 H ALA A 17 -7.124 1.355 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.550 1.804 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.182 -0.565 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.049 0.292 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.936 -0.787 -4.100 1.00 0.00 H new ATOM 288 N LYS A 18 -6.570 0.150 -6.841 1.00 0.00 N ATOM 289 CA LYS A 18 -6.786 -0.244 -8.228 1.00 0.00 C ATOM 290 C LYS A 18 -6.519 0.935 -9.164 1.00 0.00 C ATOM 291 O LYS A 18 -5.810 0.806 -10.163 1.00 0.00 O ATOM 292 CB LYS A 18 -8.222 -0.745 -8.408 1.00 0.00 C ATOM 293 CG LYS A 18 -8.601 -1.021 -9.854 1.00 0.00 C ATOM 294 CD LYS A 18 -10.072 -1.384 -9.986 1.00 0.00 C ATOM 295 CE LYS A 18 -10.472 -1.574 -11.441 1.00 0.00 C ATOM 296 NZ LYS A 18 -9.695 -2.659 -12.095 1.00 0.00 N ATOM 0 H LYS A 18 -7.389 0.039 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.094 -1.048 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.353 -1.658 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.909 -0.005 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.386 -0.142 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.988 -1.834 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.273 -2.300 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.683 -0.599 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.536 -1.805 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.319 -0.641 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.110 -2.871 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.708 -2.354 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.723 -3.512 -11.501 1.00 0.00 H new ATOM 310 N SER A 19 -7.082 2.087 -8.818 1.00 0.00 N ATOM 311 CA SER A 19 -6.893 3.298 -9.605 1.00 0.00 C ATOM 312 C SER A 19 -5.429 3.731 -9.585 1.00 0.00 C ATOM 313 O SER A 19 -4.882 4.161 -10.601 1.00 0.00 O ATOM 314 CB SER A 19 -7.789 4.417 -9.073 1.00 0.00 C ATOM 315 OG SER A 19 -9.158 4.053 -9.166 1.00 0.00 O ATOM 0 H SER A 19 -7.674 2.207 -7.996 1.00 0.00 H new ATOM 0 HA SER A 19 -7.171 3.087 -10.638 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.534 4.631 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.612 5.331 -9.639 1.00 0.00 H new ATOM 0 HG SER A 19 -9.714 4.781 -8.819 1.00 0.00 H new ATOM 321 N TRP A 20 -4.798 3.596 -8.425 1.00 0.00 N ATOM 322 CA TRP A 20 -3.386 3.909 -8.269 1.00 0.00 C ATOM 323 C TRP A 20 -2.543 3.004 -9.164 1.00 0.00 C ATOM 324 O TRP A 20 -1.639 3.466 -9.855 1.00 0.00 O ATOM 325 CB TRP A 20 -2.972 3.741 -6.803 1.00 0.00 C ATOM 326 CG TRP A 20 -1.507 3.940 -6.560 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.860 5.129 -6.377 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.508 2.916 -6.465 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.481 4.906 -6.179 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.721 3.557 -6.225 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.534 1.519 -6.557 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.912 2.848 -6.079 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.650 0.820 -6.411 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.857 1.486 -6.172 1.00 0.00 C ATOM 0 H TRP A 20 -5.249 3.268 -7.571 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.219 4.944 -8.566 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.531 4.451 -6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.254 2.743 -6.468 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.332 6.100 -6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.185 5.628 -6.023 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.462 0.997 -6.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.847 3.358 -5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.643 -0.258 -6.483 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.764 0.911 -6.059 1.00 0.00 H new ATOM 345 N PHE A 21 -2.868 1.719 -9.152 1.00 0.00 N ATOM 346 CA PHE A 21 -2.177 0.722 -9.965 1.00 0.00 C ATOM 347 C PHE A 21 -2.223 1.095 -11.449 1.00 0.00 C ATOM 348 O PHE A 21 -1.260 0.878 -12.186 1.00 0.00 O ATOM 349 CB PHE A 21 -2.830 -0.648 -9.726 1.00 0.00 C ATOM 350 CG PHE A 21 -2.266 -1.780 -10.539 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.079 -2.392 -10.173 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.937 -2.245 -11.660 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.570 -3.444 -10.910 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.433 -3.298 -12.399 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.248 -3.898 -12.023 1.00 0.00 C ATOM 0 H PHE A 21 -3.619 1.335 -8.578 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.127 0.683 -9.674 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.734 -0.898 -8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.896 -0.566 -9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.545 -2.043 -9.302 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.864 -1.779 -11.959 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.358 -3.911 -10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.965 -3.651 -13.270 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.852 -4.721 -12.599 1.00 0.00 H new ATOM 365 N ALA A 22 -3.336 1.684 -11.874 1.00 0.00 N ATOM 366 CA ALA A 22 -3.514 2.073 -13.269 1.00 0.00 C ATOM 367 C ALA A 22 -2.936 3.462 -13.545 1.00 0.00 C ATOM 368 O ALA A 22 -2.951 3.939 -14.680 1.00 0.00 O ATOM 369 CB ALA A 22 -4.988 2.036 -13.638 1.00 0.00 C ATOM 0 H ALA A 22 -4.130 1.903 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.970 1.358 -13.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.109 2.328 -14.681 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.373 1.026 -13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.540 2.727 -13.001 1.00 0.00 H new ATOM 375 N THR A 23 -2.436 4.109 -12.506 1.00 0.00 N ATOM 376 CA THR A 23 -1.870 5.444 -12.639 1.00 0.00 C ATOM 377 C THR A 23 -0.349 5.413 -12.475 1.00 0.00 C ATOM 378 O THR A 23 0.385 6.097 -13.192 1.00 0.00 O ATOM 379 CB THR A 23 -2.479 6.401 -11.592 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.910 6.409 -11.707 1.00 0.00 O ATOM 381 CG2 THR A 23 -1.948 7.818 -11.761 1.00 0.00 C ATOM 0 H THR A 23 -2.410 3.732 -11.559 1.00 0.00 H new ATOM 0 HA THR A 23 -2.110 5.806 -13.639 1.00 0.00 H new ATOM 0 HB THR A 23 -2.191 6.042 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.268 5.552 -11.395 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.396 8.467 -11.009 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.865 7.817 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.202 8.186 -12.755 1.00 0.00 H new ATOM 389 N LYS A 24 0.112 4.594 -11.542 1.00 0.00 N ATOM 390 CA LYS A 24 1.519 4.536 -11.186 1.00 0.00 C ATOM 391 C LYS A 24 2.249 3.489 -12.027 1.00 0.00 C ATOM 392 O LYS A 24 2.666 2.446 -11.523 1.00 0.00 O ATOM 393 CB LYS A 24 1.647 4.215 -9.694 1.00 0.00 C ATOM 394 CG LYS A 24 3.044 4.381 -9.123 1.00 0.00 C ATOM 395 CD LYS A 24 3.500 5.830 -9.163 1.00 0.00 C ATOM 396 CE LYS A 24 4.792 6.026 -8.388 1.00 0.00 C ATOM 397 NZ LYS A 24 5.283 7.427 -8.462 1.00 0.00 N ATOM 0 H LYS A 24 -0.478 3.953 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 24 1.980 5.503 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.964 4.858 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.322 3.188 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.061 4.023 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.743 3.764 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.644 6.139 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.723 6.469 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.633 5.753 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.555 5.354 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.166 7.515 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.460 7.681 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.567 8.067 -8.063 1.00 0.00 H new ATOM 411 N THR A 25 2.389 3.770 -13.314 1.00 0.00 N ATOM 412 CA THR A 25 3.075 2.868 -14.231 1.00 0.00 C ATOM 413 C THR A 25 4.587 3.105 -14.202 1.00 0.00 C ATOM 414 O THR A 25 5.232 3.257 -15.241 1.00 0.00 O ATOM 415 CB THR A 25 2.549 3.057 -15.664 1.00 0.00 C ATOM 416 OG1 THR A 25 2.547 4.452 -16.003 1.00 0.00 O ATOM 417 CG2 THR A 25 1.142 2.492 -15.800 1.00 0.00 C ATOM 0 H THR A 25 2.034 4.621 -13.750 1.00 0.00 H new ATOM 0 HA THR A 25 2.875 1.846 -13.908 1.00 0.00 H new ATOM 0 HB THR A 25 3.206 2.519 -16.347 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.213 4.566 -16.917 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.789 2.636 -16.821 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.153 1.427 -15.567 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.475 3.007 -15.109 1.00 0.00 H new ATOM 425 N THR A 26 5.140 3.131 -12.999 1.00 0.00 N ATOM 426 CA THR A 26 6.557 3.394 -12.805 1.00 0.00 C ATOM 427 C THR A 26 7.381 2.122 -12.999 1.00 0.00 C ATOM 428 O THR A 26 8.589 2.177 -13.241 1.00 0.00 O ATOM 429 CB THR A 26 6.792 3.970 -11.396 1.00 0.00 C ATOM 430 OG1 THR A 26 5.926 5.095 -11.200 1.00 0.00 O ATOM 431 CG2 THR A 26 8.236 4.407 -11.201 1.00 0.00 C ATOM 0 H THR A 26 4.622 2.971 -12.135 1.00 0.00 H new ATOM 0 HA THR A 26 6.879 4.122 -13.550 1.00 0.00 H new ATOM 0 HB THR A 26 6.576 3.188 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.409 5.800 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.362 4.808 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.897 3.551 -11.336 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.485 5.176 -11.932 1.00 0.00 H new ATOM 439 N TRP A 27 6.717 0.982 -12.912 1.00 0.00 N ATOM 440 CA TRP A 27 7.383 -0.299 -13.059 1.00 0.00 C ATOM 441 C TRP A 27 6.742 -1.077 -14.198 1.00 0.00 C ATOM 442 O TRP A 27 5.715 -0.658 -14.733 1.00 0.00 O ATOM 443 CB TRP A 27 7.293 -1.103 -11.758 1.00 0.00 C ATOM 444 CG TRP A 27 7.725 -0.331 -10.545 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.973 0.156 -10.282 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.909 0.033 -9.422 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.981 0.809 -9.072 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.728 0.745 -8.525 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.566 -0.171 -9.092 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.248 1.249 -7.319 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.091 0.330 -7.894 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.930 1.034 -7.021 1.00 0.00 C ATOM 0 H TRP A 27 5.714 0.919 -12.740 1.00 0.00 H new ATOM 0 HA TRP A 27 8.435 -0.127 -13.285 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.265 -1.439 -11.618 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.911 -1.997 -11.849 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.830 0.045 -10.930 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.789 1.267 -8.651 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.911 -0.710 -9.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.893 1.790 -6.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.056 0.176 -7.627 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.528 1.415 -6.094 1.00 0.00 H new ATOM 463 N SER A 28 7.346 -2.198 -14.566 1.00 0.00 N ATOM 464 CA SER A 28 6.797 -3.056 -15.602 1.00 0.00 C ATOM 465 C SER A 28 5.519 -3.718 -15.107 1.00 0.00 C ATOM 466 O SER A 28 5.327 -3.862 -13.901 1.00 0.00 O ATOM 467 CB SER A 28 7.827 -4.119 -15.989 1.00 0.00 C ATOM 468 OG SER A 28 8.271 -4.840 -14.849 1.00 0.00 O ATOM 0 H SER A 28 8.219 -2.534 -14.160 1.00 0.00 H new ATOM 0 HA SER A 28 6.561 -2.454 -16.479 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.389 -4.808 -16.711 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.678 -3.644 -16.477 1.00 0.00 H new ATOM 0 HG SER A 28 8.927 -5.514 -15.123 1.00 0.00 H new ATOM 474 N GLU A 29 4.657 -4.127 -16.030 1.00 0.00 N ATOM 475 CA GLU A 29 3.412 -4.800 -15.671 1.00 0.00 C ATOM 476 C GLU A 29 3.694 -6.029 -14.818 1.00 0.00 C ATOM 477 O GLU A 29 2.943 -6.344 -13.895 1.00 0.00 O ATOM 478 CB GLU A 29 2.644 -5.222 -16.922 1.00 0.00 C ATOM 479 CG GLU A 29 2.224 -4.064 -17.806 1.00 0.00 C ATOM 480 CD GLU A 29 1.471 -4.534 -19.029 1.00 0.00 C ATOM 481 OE1 GLU A 29 0.245 -4.735 -18.935 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.108 -4.714 -20.091 1.00 0.00 O ATOM 0 H GLU A 29 4.796 -4.005 -17.033 1.00 0.00 H new ATOM 0 HA GLU A 29 2.807 -4.096 -15.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.264 -5.904 -17.504 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.756 -5.777 -16.621 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.597 -3.379 -17.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.107 -3.505 -18.116 1.00 0.00 H new ATOM 489 N ASP A 30 4.788 -6.712 -15.133 1.00 0.00 N ATOM 490 CA ASP A 30 5.198 -7.894 -14.388 1.00 0.00 C ATOM 491 C ASP A 30 5.477 -7.540 -12.934 1.00 0.00 C ATOM 492 O ASP A 30 4.925 -8.154 -12.021 1.00 0.00 O ATOM 493 CB ASP A 30 6.442 -8.528 -15.014 1.00 0.00 C ATOM 494 CG ASP A 30 6.809 -9.843 -14.358 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.582 -9.835 -13.377 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.320 -10.895 -14.820 1.00 0.00 O ATOM 0 H ASP A 30 5.409 -6.465 -15.903 1.00 0.00 H new ATOM 0 HA ASP A 30 4.381 -8.614 -14.427 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.268 -8.691 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.280 -7.837 -14.931 1.00 0.00 H new ATOM 501 N TYR A 31 6.316 -6.532 -12.722 1.00 0.00 N ATOM 502 CA TYR A 31 6.665 -6.118 -11.372 1.00 0.00 C ATOM 503 C TYR A 31 5.464 -5.466 -10.698 1.00 0.00 C ATOM 504 O TYR A 31 5.255 -5.632 -9.497 1.00 0.00 O ATOM 505 CB TYR A 31 7.861 -5.161 -11.374 1.00 0.00 C ATOM 506 CG TYR A 31 8.396 -4.872 -9.985 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.182 -5.804 -9.318 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.107 -3.676 -9.337 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.664 -5.553 -8.046 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.589 -3.417 -8.068 1.00 0.00 C ATOM 511 CZ TYR A 31 9.366 -4.360 -7.428 1.00 0.00 C ATOM 512 OH TYR A 31 9.840 -4.112 -6.160 1.00 0.00 O ATOM 0 H TYR A 31 6.763 -5.991 -13.463 1.00 0.00 H new ATOM 0 HA TYR A 31 6.951 -7.006 -10.809 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.659 -5.588 -11.982 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.567 -4.223 -11.846 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.421 -6.740 -9.801 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.496 -2.937 -9.834 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.271 -6.289 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.359 -2.481 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 31 9.128 -3.714 -5.617 1.00 0.00 H new ATOM 522 N GLN A 32 4.668 -4.737 -11.479 1.00 0.00 N ATOM 523 CA GLN A 32 3.446 -4.135 -10.968 1.00 0.00 C ATOM 524 C GLN A 32 2.511 -5.203 -10.429 1.00 0.00 C ATOM 525 O GLN A 32 1.890 -5.015 -9.389 1.00 0.00 O ATOM 526 CB GLN A 32 2.716 -3.326 -12.043 1.00 0.00 C ATOM 527 CG GLN A 32 3.337 -1.974 -12.340 1.00 0.00 C ATOM 528 CD GLN A 32 2.383 -1.068 -13.095 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.354 -1.055 -14.323 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.587 -0.312 -12.355 1.00 0.00 N ATOM 0 H GLN A 32 4.850 -4.552 -12.465 1.00 0.00 H new ATOM 0 HA GLN A 32 3.737 -3.458 -10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.688 -3.909 -12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.683 -3.177 -11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.629 -1.495 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.246 -2.113 -12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.645 -0.354 -11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.916 0.313 -12.802 1.00 0.00 H new ATOM 539 N ARG A 33 2.415 -6.326 -11.135 1.00 0.00 N ATOM 540 CA ARG A 33 1.564 -7.420 -10.695 1.00 0.00 C ATOM 541 C ARG A 33 2.094 -8.014 -9.398 1.00 0.00 C ATOM 542 O ARG A 33 1.320 -8.406 -8.527 1.00 0.00 O ATOM 543 CB ARG A 33 1.447 -8.509 -11.762 1.00 0.00 C ATOM 544 CG ARG A 33 0.452 -9.589 -11.380 1.00 0.00 C ATOM 545 CD ARG A 33 0.270 -10.624 -12.476 1.00 0.00 C ATOM 546 NE ARG A 33 -0.801 -11.559 -12.139 1.00 0.00 N ATOM 547 CZ ARG A 33 -1.461 -12.300 -13.023 1.00 0.00 C ATOM 548 NH1 ARG A 33 -1.132 -12.270 -14.307 1.00 0.00 N ATOM 549 NH2 ARG A 33 -2.452 -13.078 -12.610 1.00 0.00 N ATOM 0 H ARG A 33 2.913 -6.499 -12.008 1.00 0.00 H new ATOM 0 HA ARG A 33 0.568 -7.013 -10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.144 -8.057 -12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.425 -8.961 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.789 -10.084 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.510 -9.129 -11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.040 -10.125 -13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.202 -11.170 -12.624 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.060 -11.649 -11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.367 -11.675 -14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.644 -12.842 -14.978 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.702 -13.104 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.965 -13.650 -13.281 1.00 0.00 H new ATOM 563 N SER A 34 3.414 -8.081 -9.269 1.00 0.00 N ATOM 564 CA SER A 34 4.032 -8.519 -8.026 1.00 0.00 C ATOM 565 C SER A 34 3.659 -7.567 -6.894 1.00 0.00 C ATOM 566 O SER A 34 3.259 -7.999 -5.813 1.00 0.00 O ATOM 567 CB SER A 34 5.551 -8.593 -8.181 1.00 0.00 C ATOM 568 OG SER A 34 5.913 -9.533 -9.176 1.00 0.00 O ATOM 0 H SER A 34 4.074 -7.838 -10.008 1.00 0.00 H new ATOM 0 HA SER A 34 3.663 -9.516 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.942 -7.610 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.004 -8.872 -7.230 1.00 0.00 H new ATOM 0 HG SER A 34 5.678 -9.181 -10.060 1.00 0.00 H new ATOM 574 N VAL A 35 3.772 -6.269 -7.166 1.00 0.00 N ATOM 575 CA VAL A 35 3.362 -5.243 -6.218 1.00 0.00 C ATOM 576 C VAL A 35 1.882 -5.396 -5.888 1.00 0.00 C ATOM 577 O VAL A 35 1.498 -5.439 -4.724 1.00 0.00 O ATOM 578 CB VAL A 35 3.619 -3.823 -6.775 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.088 -2.756 -5.830 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.101 -3.612 -7.033 1.00 0.00 C ATOM 0 H VAL A 35 4.147 -5.904 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 35 3.957 -5.371 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 35 3.083 -3.733 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.284 -1.769 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.014 -2.888 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.585 -2.845 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.263 -2.608 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.653 -3.731 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.452 -4.345 -7.759 1.00 0.00 H new ATOM 590 N TRP A 36 1.069 -5.506 -6.927 1.00 0.00 N ATOM 591 CA TRP A 36 -0.372 -5.658 -6.782 1.00 0.00 C ATOM 592 C TRP A 36 -0.714 -6.890 -5.946 1.00 0.00 C ATOM 593 O TRP A 36 -1.562 -6.830 -5.059 1.00 0.00 O ATOM 594 CB TRP A 36 -1.019 -5.749 -8.168 1.00 0.00 C ATOM 595 CG TRP A 36 -2.513 -5.805 -8.146 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.297 -6.806 -8.636 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.402 -4.818 -7.613 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.622 -6.502 -8.446 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.713 -5.288 -7.817 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.220 -3.581 -6.985 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.833 -4.569 -7.410 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.334 -2.868 -6.582 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.625 -3.364 -6.799 1.00 0.00 C ATOM 0 H TRP A 36 1.389 -5.493 -7.895 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.765 -4.786 -6.259 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.708 -4.887 -8.759 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.641 -6.637 -8.675 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.930 -7.707 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.410 -7.085 -8.727 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.227 -3.190 -6.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.831 -4.950 -7.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.206 -1.914 -6.092 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.475 -2.782 -6.477 1.00 0.00 H new ATOM 614 N THR A 37 -0.031 -7.994 -6.216 1.00 0.00 N ATOM 615 CA THR A 37 -0.256 -9.230 -5.482 1.00 0.00 C ATOM 616 C THR A 37 0.058 -9.056 -3.995 1.00 0.00 C ATOM 617 O THR A 37 -0.751 -9.415 -3.139 1.00 0.00 O ATOM 618 CB THR A 37 0.589 -10.387 -6.053 1.00 0.00 C ATOM 619 OG1 THR A 37 0.244 -10.614 -7.427 1.00 0.00 O ATOM 620 CG2 THR A 37 0.375 -11.666 -5.258 1.00 0.00 C ATOM 0 H THR A 37 0.685 -8.058 -6.940 1.00 0.00 H new ATOM 0 HA THR A 37 -1.311 -9.478 -5.595 1.00 0.00 H new ATOM 0 HB THR A 37 1.639 -10.106 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.355 -9.783 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.983 -12.465 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.665 -11.502 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.677 -11.949 -5.300 1.00 0.00 H new ATOM 628 N ARG A 38 1.223 -8.494 -3.684 1.00 0.00 N ATOM 629 CA ARG A 38 1.607 -8.301 -2.292 1.00 0.00 C ATOM 630 C ARG A 38 0.755 -7.218 -1.640 1.00 0.00 C ATOM 631 O ARG A 38 0.533 -7.244 -0.431 1.00 0.00 O ATOM 632 CB ARG A 38 3.104 -7.994 -2.155 1.00 0.00 C ATOM 633 CG ARG A 38 3.585 -6.794 -2.948 1.00 0.00 C ATOM 634 CD ARG A 38 5.102 -6.784 -3.040 1.00 0.00 C ATOM 635 NE ARG A 38 5.609 -8.039 -3.595 1.00 0.00 N ATOM 636 CZ ARG A 38 6.894 -8.380 -3.641 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.828 -7.541 -3.211 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.232 -9.566 -4.127 1.00 0.00 N ATOM 0 H ARG A 38 1.907 -8.169 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 38 1.423 -9.237 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.331 -7.830 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.670 -8.870 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.155 -6.818 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.238 -5.876 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.425 -5.951 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.528 -6.624 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 38 4.929 -8.699 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.563 -6.628 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.811 -7.809 -3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.510 -10.205 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.214 -9.839 -4.168 1.00 0.00 H new ATOM 652 N LEU A 39 0.255 -6.282 -2.441 1.00 0.00 N ATOM 653 CA LEU A 39 -0.715 -5.317 -1.950 1.00 0.00 C ATOM 654 C LEU A 39 -1.976 -6.046 -1.511 1.00 0.00 C ATOM 655 O LEU A 39 -2.435 -5.881 -0.388 1.00 0.00 O ATOM 656 CB LEU A 39 -1.062 -4.270 -3.016 1.00 0.00 C ATOM 657 CG LEU A 39 0.048 -3.266 -3.347 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.418 -2.297 -4.422 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.477 -2.511 -2.100 1.00 0.00 C ATOM 0 H LEU A 39 0.504 -6.174 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.273 -4.793 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.341 -4.790 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.940 -3.716 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 39 0.909 -3.817 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.381 -1.590 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.676 -2.851 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.294 -1.754 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.266 -1.803 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.376 -1.971 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.850 -3.217 -1.358 1.00 0.00 H new ATOM 671 N GLU A 40 -2.505 -6.894 -2.389 1.00 0.00 N ATOM 672 CA GLU A 40 -3.720 -7.646 -2.086 1.00 0.00 C ATOM 673 C GLU A 40 -3.488 -8.669 -0.975 1.00 0.00 C ATOM 674 O GLU A 40 -4.440 -9.156 -0.362 1.00 0.00 O ATOM 675 CB GLU A 40 -4.254 -8.357 -3.331 1.00 0.00 C ATOM 676 CG GLU A 40 -4.655 -7.419 -4.456 1.00 0.00 C ATOM 677 CD GLU A 40 -5.481 -8.117 -5.518 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.918 -8.922 -6.284 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.712 -7.886 -5.572 1.00 0.00 O ATOM 0 H GLU A 40 -2.113 -7.077 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.460 -6.923 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.492 -9.044 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.117 -8.960 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.224 -6.585 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.759 -6.999 -4.913 1.00 0.00 H new ATOM 686 N THR A 41 -2.231 -8.997 -0.716 1.00 0.00 N ATOM 687 CA THR A 41 -1.898 -9.977 0.307 1.00 0.00 C ATOM 688 C THR A 41 -1.693 -9.324 1.678 1.00 0.00 C ATOM 689 O THR A 41 -2.309 -9.730 2.662 1.00 0.00 O ATOM 690 CB THR A 41 -0.632 -10.772 -0.076 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.818 -11.391 -1.356 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.316 -11.838 0.964 1.00 0.00 C ATOM 0 H THR A 41 -1.426 -8.599 -1.199 1.00 0.00 H new ATOM 0 HA THR A 41 -2.745 -10.660 0.373 1.00 0.00 H new ATOM 0 HB THR A 41 0.206 -10.076 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.932 -10.699 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.581 -12.382 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.150 -11.364 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.153 -12.532 1.039 1.00 0.00 H new ATOM 700 N TYR A 42 -0.842 -8.307 1.737 1.00 0.00 N ATOM 701 CA TYR A 42 -0.465 -7.710 3.014 1.00 0.00 C ATOM 702 C TYR A 42 -1.242 -6.428 3.297 1.00 0.00 C ATOM 703 O TYR A 42 -1.565 -6.131 4.444 1.00 0.00 O ATOM 704 CB TYR A 42 1.031 -7.386 3.032 1.00 0.00 C ATOM 705 CG TYR A 42 1.933 -8.542 2.660 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.093 -9.633 3.506 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.635 -8.534 1.462 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.927 -10.681 3.163 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.470 -9.574 1.115 1.00 0.00 C ATOM 710 CZ TYR A 42 3.613 -10.646 1.967 1.00 0.00 C ATOM 711 OH TYR A 42 4.452 -11.680 1.623 1.00 0.00 O ATOM 0 H TYR A 42 -0.402 -7.880 0.922 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.704 -8.442 3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.218 -6.561 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.302 -7.038 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.559 -9.663 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.524 -7.697 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.041 -11.524 3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.009 -9.548 0.180 1.00 0.00 H new ATOM 0 HH TYR A 42 4.855 -11.497 0.749 1.00 0.00 H new ATOM 721 N LEU A 43 -1.550 -5.677 2.253 1.00 0.00 N ATOM 722 CA LEU A 43 -2.060 -4.321 2.416 1.00 0.00 C ATOM 723 C LEU A 43 -3.492 -4.201 1.887 1.00 0.00 C ATOM 724 O LEU A 43 -3.906 -3.148 1.413 1.00 0.00 O ATOM 725 CB LEU A 43 -1.134 -3.354 1.671 1.00 0.00 C ATOM 726 CG LEU A 43 -1.272 -1.878 2.044 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.865 -1.652 3.491 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.435 -1.024 1.112 1.00 0.00 C ATOM 0 H LEU A 43 -1.457 -5.980 1.284 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.081 -4.073 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.103 -3.659 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.317 -3.457 0.601 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.317 -1.587 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.970 -0.595 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.506 -2.243 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.173 -1.955 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.541 0.025 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.612 -1.316 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.774 -1.166 0.086 1.00 0.00 H new ATOM 740 N PHE A 44 -4.251 -5.281 1.992 1.00 0.00 N ATOM 741 CA PHE A 44 -5.621 -5.301 1.482 1.00 0.00 C ATOM 742 C PHE A 44 -6.622 -5.888 2.483 1.00 0.00 C ATOM 743 O PHE A 44 -7.654 -5.282 2.728 1.00 0.00 O ATOM 744 CB PHE A 44 -5.697 -6.070 0.162 1.00 0.00 C ATOM 745 CG PHE A 44 -5.953 -5.199 -1.038 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.020 -4.258 -1.442 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.123 -5.332 -1.767 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.248 -3.466 -2.548 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.359 -4.540 -2.875 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.420 -3.606 -3.266 1.00 0.00 C ATOM 0 H PHE A 44 -3.947 -6.154 2.423 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.900 -4.261 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.762 -6.610 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.489 -6.816 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.103 -4.143 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.859 -6.063 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.511 -2.737 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.276 -4.651 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.601 -2.986 -4.132 1.00 0.00 H new ATOM 760 N PRO A 45 -6.357 -7.068 3.082 1.00 0.00 N ATOM 761 CA PRO A 45 -7.337 -7.725 3.963 1.00 0.00 C ATOM 762 C PRO A 45 -7.489 -7.031 5.317 1.00 0.00 C ATOM 763 O PRO A 45 -8.472 -7.240 6.031 1.00 0.00 O ATOM 764 CB PRO A 45 -6.760 -9.127 4.148 1.00 0.00 C ATOM 765 CG PRO A 45 -5.290 -8.957 3.972 1.00 0.00 C ATOM 766 CD PRO A 45 -5.113 -7.857 2.961 1.00 0.00 C ATOM 0 HA PRO A 45 -8.337 -7.706 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.997 -9.526 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.169 -9.823 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.812 -8.698 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.830 -9.882 3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.232 -7.252 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.987 -8.255 1.954 1.00 0.00 H new ATOM 774 N ASP A 46 -6.520 -6.199 5.662 1.00 0.00 N ATOM 775 CA ASP A 46 -6.489 -5.566 6.973 1.00 0.00 C ATOM 776 C ASP A 46 -7.108 -4.173 6.931 1.00 0.00 C ATOM 777 O ASP A 46 -7.732 -3.731 7.893 1.00 0.00 O ATOM 778 CB ASP A 46 -5.048 -5.497 7.481 1.00 0.00 C ATOM 779 CG ASP A 46 -4.377 -6.859 7.457 1.00 0.00 C ATOM 780 OD1 ASP A 46 -3.805 -7.223 6.410 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.442 -7.585 8.473 1.00 0.00 O ATOM 0 H ASP A 46 -5.743 -5.945 5.052 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.082 -6.170 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.479 -4.800 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.039 -5.105 8.498 1.00 0.00 H new ATOM 786 N ILE A 47 -6.936 -3.490 5.807 1.00 0.00 N ATOM 787 CA ILE A 47 -7.504 -2.158 5.623 1.00 0.00 C ATOM 788 C ILE A 47 -8.671 -2.188 4.642 1.00 0.00 C ATOM 789 O ILE A 47 -9.321 -1.172 4.391 1.00 0.00 O ATOM 790 CB ILE A 47 -6.449 -1.154 5.129 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.584 -1.795 4.042 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.595 -0.656 6.286 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.427 -0.931 3.601 1.00 0.00 C ATOM 0 H ILE A 47 -6.407 -3.836 5.007 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.865 -1.833 6.599 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.959 -0.292 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.197 -2.745 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.209 -2.019 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.856 0.053 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.231 -0.164 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.086 -1.500 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.859 -1.450 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.807 0.009 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.779 -0.728 4.454 1.00 0.00 H new ATOM 805 N GLY A 48 -8.924 -3.361 4.084 1.00 0.00 N ATOM 806 CA GLY A 48 -10.070 -3.539 3.224 1.00 0.00 C ATOM 807 C GLY A 48 -11.347 -3.531 4.023 1.00 0.00 C ATOM 808 O GLY A 48 -11.322 -3.857 5.210 1.00 0.00 O ATOM 0 H GLY A 48 -8.352 -4.196 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.098 -2.744 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.981 -4.481 2.683 1.00 0.00 H new ATOM 812 N ASN A 49 -12.452 -3.146 3.376 1.00 0.00 N ATOM 813 CA ASN A 49 -13.760 -2.969 4.031 1.00 0.00 C ATOM 814 C ASN A 49 -13.639 -2.178 5.337 1.00 0.00 C ATOM 815 O ASN A 49 -14.491 -2.278 6.216 1.00 0.00 O ATOM 816 CB ASN A 49 -14.492 -4.312 4.262 1.00 0.00 C ATOM 817 CG ASN A 49 -13.797 -5.269 5.218 1.00 0.00 C ATOM 818 OD1 ASN A 49 -13.992 -5.207 6.434 1.00 0.00 O ATOM 819 ND2 ASN A 49 -13.014 -6.187 4.673 1.00 0.00 N ATOM 0 H ASN A 49 -12.468 -2.946 2.376 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.370 -2.385 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.491 -4.102 4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.617 -4.810 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.547 -6.875 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.877 -6.206 3.662 1.00 0.00 H new ATOM 826 N LYS A 50 -12.597 -1.358 5.423 1.00 0.00 N ATOM 827 CA LYS A 50 -12.338 -0.536 6.595 1.00 0.00 C ATOM 828 C LYS A 50 -12.319 0.923 6.156 1.00 0.00 C ATOM 829 O LYS A 50 -11.660 1.773 6.759 1.00 0.00 O ATOM 830 CB LYS A 50 -10.995 -0.949 7.224 1.00 0.00 C ATOM 831 CG LYS A 50 -10.687 -0.319 8.581 1.00 0.00 C ATOM 832 CD LYS A 50 -11.725 -0.687 9.631 1.00 0.00 C ATOM 833 CE LYS A 50 -11.284 -0.269 11.030 1.00 0.00 C ATOM 834 NZ LYS A 50 -10.984 1.187 11.117 1.00 0.00 N ATOM 0 H LYS A 50 -11.908 -1.246 4.679 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.115 -0.672 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.983 -2.033 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.194 -0.690 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.702 -0.644 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.646 0.765 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.673 -0.207 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.898 -1.763 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.067 -0.520 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.399 -0.838 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.022 1.490 12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.034 1.369 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.687 1.720 10.566 1.00 0.00 H new ATOM 848 N ASP A 51 -13.069 1.187 5.085 1.00 0.00 N ATOM 849 CA ASP A 51 -13.147 2.512 4.482 1.00 0.00 C ATOM 850 C ASP A 51 -11.766 2.916 3.951 1.00 0.00 C ATOM 851 O ASP A 51 -11.166 2.191 3.150 1.00 0.00 O ATOM 852 CB ASP A 51 -13.684 3.528 5.510 1.00 0.00 C ATOM 853 CG ASP A 51 -14.088 4.855 4.897 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.225 4.966 4.394 1.00 0.00 O ATOM 855 OD2 ASP A 51 -13.275 5.801 4.933 1.00 0.00 O ATOM 0 H ASP A 51 -13.639 0.485 4.613 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.841 2.497 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.545 3.096 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.920 3.704 6.267 1.00 0.00 H new ATOM 860 N ILE A 52 -11.275 4.057 4.400 1.00 0.00 N ATOM 861 CA ILE A 52 -9.945 4.535 4.055 1.00 0.00 C ATOM 862 C ILE A 52 -9.672 5.819 4.839 1.00 0.00 C ATOM 863 O ILE A 52 -8.547 6.087 5.244 1.00 0.00 O ATOM 864 CB ILE A 52 -9.794 4.762 2.520 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.353 4.484 2.053 1.00 0.00 C ATOM 866 CG2 ILE A 52 -10.226 6.163 2.108 1.00 0.00 C ATOM 867 CD1 ILE A 52 -7.313 5.471 2.542 1.00 0.00 C ATOM 0 H ILE A 52 -11.790 4.683 5.019 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.209 3.778 4.325 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.458 4.051 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.067 3.486 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.337 4.474 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.105 6.279 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.272 6.314 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.611 6.900 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.333 5.187 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.565 6.471 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.291 5.467 3.632 1.00 0.00 H new ATOM 879 N ALA A 53 -10.729 6.585 5.092 1.00 0.00 N ATOM 880 CA ALA A 53 -10.625 7.788 5.899 1.00 0.00 C ATOM 881 C ALA A 53 -10.509 7.420 7.372 1.00 0.00 C ATOM 882 O ALA A 53 -10.113 8.237 8.205 1.00 0.00 O ATOM 883 CB ALA A 53 -11.829 8.688 5.665 1.00 0.00 C ATOM 0 H ALA A 53 -11.669 6.390 4.747 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.728 8.333 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.737 9.585 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.874 8.969 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.740 8.155 5.938 1.00 0.00 H new ATOM 889 N GLU A 54 -10.876 6.180 7.684 1.00 0.00 N ATOM 890 CA GLU A 54 -10.720 5.642 9.029 1.00 0.00 C ATOM 891 C GLU A 54 -9.265 5.334 9.314 1.00 0.00 C ATOM 892 O GLU A 54 -8.832 5.356 10.463 1.00 0.00 O ATOM 893 CB GLU A 54 -11.507 4.346 9.197 1.00 0.00 C ATOM 894 CG GLU A 54 -13.010 4.511 9.249 1.00 0.00 C ATOM 895 CD GLU A 54 -13.694 3.220 9.640 1.00 0.00 C ATOM 896 OE1 GLU A 54 -13.251 2.586 10.622 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.665 2.832 8.968 1.00 0.00 O ATOM 0 H GLU A 54 -11.286 5.526 7.017 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.094 6.398 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.259 3.678 8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.179 3.856 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.267 5.292 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.376 4.838 8.275 1.00 0.00 H new ATOM 904 N LEU A 55 -8.524 5.045 8.256 1.00 0.00 N ATOM 905 CA LEU A 55 -7.181 4.514 8.383 1.00 0.00 C ATOM 906 C LEU A 55 -6.229 5.542 8.974 1.00 0.00 C ATOM 907 O LEU A 55 -5.693 6.398 8.270 1.00 0.00 O ATOM 908 CB LEU A 55 -6.679 4.019 7.026 1.00 0.00 C ATOM 909 CG LEU A 55 -7.611 3.021 6.329 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.009 2.547 5.018 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.912 1.841 7.243 1.00 0.00 C ATOM 0 H LEU A 55 -8.836 5.172 7.293 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.214 3.670 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.533 4.878 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.704 3.552 7.162 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.550 3.528 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.687 1.840 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.853 3.401 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.054 2.059 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.575 1.144 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.982 1.334 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.395 2.199 8.152 1.00 0.00 H new ATOM 923 N ASP A 56 -6.056 5.463 10.283 1.00 0.00 N ATOM 924 CA ASP A 56 -5.125 6.323 10.987 1.00 0.00 C ATOM 925 C ASP A 56 -3.773 5.628 11.055 1.00 0.00 C ATOM 926 O ASP A 56 -3.579 4.582 10.427 1.00 0.00 O ATOM 927 CB ASP A 56 -5.657 6.629 12.394 1.00 0.00 C ATOM 928 CG ASP A 56 -4.971 7.820 13.035 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.380 8.965 12.749 1.00 0.00 O ATOM 930 OD2 ASP A 56 -4.019 7.614 13.817 1.00 0.00 O ATOM 0 H ASP A 56 -6.554 4.805 10.882 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.013 7.269 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.729 6.819 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.521 5.753 13.028 1.00 0.00 H new ATOM 935 N THR A 57 -2.848 6.189 11.812 1.00 0.00 N ATOM 936 CA THR A 57 -1.527 5.614 11.957 1.00 0.00 C ATOM 937 C THR A 57 -1.626 4.172 12.450 1.00 0.00 C ATOM 938 O THR A 57 -0.985 3.278 11.903 1.00 0.00 O ATOM 939 CB THR A 57 -0.681 6.452 12.933 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.767 7.835 12.563 1.00 0.00 O ATOM 941 CG2 THR A 57 0.775 6.006 12.922 1.00 0.00 C ATOM 0 H THR A 57 -2.991 7.050 12.340 1.00 0.00 H new ATOM 0 HA THR A 57 -1.040 5.617 10.982 1.00 0.00 H new ATOM 0 HB THR A 57 -1.070 6.309 13.941 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.231 8.373 13.182 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.348 6.616 13.621 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.837 4.959 13.219 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.184 6.123 11.918 1.00 0.00 H new ATOM 949 N GLY A 58 -2.474 3.949 13.451 1.00 0.00 N ATOM 950 CA GLY A 58 -2.655 2.615 13.998 1.00 0.00 C ATOM 951 C GLY A 58 -3.182 1.623 12.974 1.00 0.00 C ATOM 952 O GLY A 58 -2.669 0.505 12.866 1.00 0.00 O ATOM 0 H GLY A 58 -3.041 4.672 13.894 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.703 2.255 14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.347 2.663 14.839 1.00 0.00 H new ATOM 956 N ASP A 59 -4.192 2.035 12.212 1.00 0.00 N ATOM 957 CA ASP A 59 -4.809 1.171 11.203 1.00 0.00 C ATOM 958 C ASP A 59 -3.788 0.698 10.180 1.00 0.00 C ATOM 959 O ASP A 59 -3.841 -0.438 9.715 1.00 0.00 O ATOM 960 CB ASP A 59 -5.937 1.899 10.467 1.00 0.00 C ATOM 961 CG ASP A 59 -7.175 2.105 11.313 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.270 3.150 11.982 1.00 0.00 O ATOM 963 OD2 ASP A 59 -8.067 1.227 11.294 1.00 0.00 O ATOM 0 H ASP A 59 -4.604 2.966 12.273 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.215 0.310 11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.573 2.869 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.205 1.331 9.577 1.00 0.00 H new ATOM 968 N LEU A 60 -2.865 1.578 9.829 1.00 0.00 N ATOM 969 CA LEU A 60 -1.861 1.274 8.820 1.00 0.00 C ATOM 970 C LEU A 60 -0.669 0.542 9.431 1.00 0.00 C ATOM 971 O LEU A 60 0.002 -0.249 8.758 1.00 0.00 O ATOM 972 CB LEU A 60 -1.420 2.566 8.137 1.00 0.00 C ATOM 973 CG LEU A 60 -2.543 3.306 7.406 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.097 4.701 7.001 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.993 2.517 6.185 1.00 0.00 C ATOM 0 H LEU A 60 -2.789 2.513 10.229 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.299 0.610 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.990 3.231 8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.629 2.335 7.424 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.387 3.403 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.912 5.207 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.824 5.268 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.235 4.629 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.792 3.057 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.151 2.389 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.359 1.539 6.498 1.00 0.00 H new ATOM 987 N LEU A 61 -0.413 0.794 10.710 1.00 0.00 N ATOM 988 CA LEU A 61 0.657 0.104 11.418 1.00 0.00 C ATOM 989 C LEU A 61 0.386 -1.392 11.481 1.00 0.00 C ATOM 990 O LEU A 61 1.316 -2.188 11.475 1.00 0.00 O ATOM 991 CB LEU A 61 0.836 0.656 12.835 1.00 0.00 C ATOM 992 CG LEU A 61 1.480 2.041 12.923 1.00 0.00 C ATOM 993 CD1 LEU A 61 1.609 2.475 14.375 1.00 0.00 C ATOM 994 CD2 LEU A 61 2.839 2.046 12.241 1.00 0.00 C ATOM 0 H LEU A 61 -0.930 1.468 11.275 1.00 0.00 H new ATOM 0 HA LEU A 61 1.578 0.276 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.141 0.697 13.317 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.444 -0.046 13.406 1.00 0.00 H new ATOM 0 HG LEU A 61 0.837 2.752 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.069 3.462 14.420 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.620 2.514 14.832 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.230 1.760 14.915 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.280 3.040 12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.493 1.322 12.727 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.720 1.779 11.191 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.890 -1.770 11.530 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.264 -3.182 11.595 1.00 0.00 C ATOM 1008 C VAL A 62 -0.663 -3.986 10.427 1.00 0.00 C ATOM 1009 O VAL A 62 0.147 -4.880 10.663 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.797 -3.383 11.649 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.142 -4.860 11.764 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.400 -2.604 12.809 1.00 0.00 C ATOM 0 H VAL A 62 -1.678 -1.123 11.526 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.846 -3.563 12.527 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.222 -3.002 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.225 -4.979 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.747 -5.394 10.900 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.701 -5.267 12.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.479 -2.759 12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.966 -2.952 13.746 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.188 -1.542 12.683 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.024 -3.693 9.154 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.470 -4.418 8.002 1.00 0.00 C ATOM 1024 C PRO A 63 1.049 -4.278 7.883 1.00 0.00 C ATOM 1025 O PRO A 63 1.735 -5.218 7.476 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.170 -3.795 6.787 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.735 -2.505 7.268 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.006 -2.679 8.735 1.00 0.00 C ATOM 0 HA PRO A 63 -0.643 -5.490 8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.467 -3.634 5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.955 -4.450 6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.035 -1.687 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.651 -2.258 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.874 -1.744 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.028 -3.012 8.917 1.00 0.00 H new ATOM 1036 N ILE A 64 1.581 -3.113 8.244 1.00 0.00 N ATOM 1037 CA ILE A 64 3.029 -2.912 8.211 1.00 0.00 C ATOM 1038 C ILE A 64 3.720 -3.812 9.240 1.00 0.00 C ATOM 1039 O ILE A 64 4.723 -4.464 8.940 1.00 0.00 O ATOM 1040 CB ILE A 64 3.409 -1.434 8.463 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.823 -0.546 7.362 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.924 -1.273 8.526 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.103 0.929 7.553 1.00 0.00 C ATOM 0 H ILE A 64 1.043 -2.305 8.558 1.00 0.00 H new ATOM 0 HA ILE A 64 3.371 -3.181 7.212 1.00 0.00 H new ATOM 0 HB ILE A 64 2.992 -1.126 9.422 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.227 -0.861 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.745 -0.699 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.172 -0.227 8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.321 -1.883 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.364 -1.594 7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.657 1.493 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.674 1.261 8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.180 1.096 7.564 1.00 0.00 H new ATOM 1055 N LYS A 65 3.158 -3.860 10.442 1.00 0.00 N ATOM 1056 CA LYS A 65 3.678 -4.706 11.514 1.00 0.00 C ATOM 1057 C LYS A 65 3.472 -6.173 11.160 1.00 0.00 C ATOM 1058 O LYS A 65 4.257 -7.041 11.534 1.00 0.00 O ATOM 1059 CB LYS A 65 2.951 -4.388 12.822 1.00 0.00 C ATOM 1060 CG LYS A 65 3.657 -4.894 14.063 1.00 0.00 C ATOM 1061 CD LYS A 65 2.760 -4.791 15.285 1.00 0.00 C ATOM 1062 CE LYS A 65 1.808 -5.972 15.381 1.00 0.00 C ATOM 1063 NZ LYS A 65 2.536 -7.251 15.590 1.00 0.00 N ATOM 0 H LYS A 65 2.334 -3.318 10.702 1.00 0.00 H new ATOM 0 HA LYS A 65 4.743 -4.512 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.827 -3.308 12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.952 -4.821 12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.958 -5.931 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.568 -4.318 14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.374 -4.743 16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.188 -3.864 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.111 -5.812 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.215 -6.036 14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.903 -7.940 16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.853 -7.624 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.362 -7.085 16.200 1.00 0.00 H new ATOM 1077 N LYS A 66 2.394 -6.423 10.435 1.00 0.00 N ATOM 1078 CA LYS A 66 2.052 -7.751 9.947 1.00 0.00 C ATOM 1079 C LYS A 66 3.191 -8.332 9.110 1.00 0.00 C ATOM 1080 O LYS A 66 3.499 -9.519 9.207 1.00 0.00 O ATOM 1081 CB LYS A 66 0.766 -7.647 9.125 1.00 0.00 C ATOM 1082 CG LYS A 66 0.176 -8.963 8.657 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.166 -8.714 7.993 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.833 -9.994 7.527 1.00 0.00 C ATOM 1085 NZ LYS A 66 -3.207 -9.730 7.024 1.00 0.00 N ATOM 0 H LYS A 66 1.724 -5.703 10.165 1.00 0.00 H new ATOM 0 HA LYS A 66 1.895 -8.425 10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.017 -7.126 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.965 -7.028 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.855 -9.448 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.054 -9.639 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.824 -8.200 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.027 -8.050 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.236 -10.453 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.875 -10.707 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.550 -10.560 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.840 -9.542 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.193 -8.903 6.393 1.00 0.00 H new ATOM 1099 N ILE A 67 3.815 -7.490 8.293 1.00 0.00 N ATOM 1100 CA ILE A 67 4.963 -7.914 7.494 1.00 0.00 C ATOM 1101 C ILE A 67 6.243 -7.864 8.327 1.00 0.00 C ATOM 1102 O ILE A 67 7.134 -8.704 8.175 1.00 0.00 O ATOM 1103 CB ILE A 67 5.141 -7.033 6.243 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.810 -6.872 5.512 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.176 -7.647 5.311 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.856 -5.852 4.395 1.00 0.00 C ATOM 0 H ILE A 67 3.548 -6.514 8.166 1.00 0.00 H new ATOM 0 HA ILE A 67 4.771 -8.938 7.174 1.00 0.00 H new ATOM 0 HB ILE A 67 5.488 -6.049 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.511 -7.836 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.043 -6.580 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.293 -7.015 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.131 -7.727 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.846 -8.640 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.877 -5.789 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.125 -4.878 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.599 -6.154 3.657 1.00 0.00 H new ATOM 1118 N GLU A 68 6.321 -6.875 9.209 1.00 0.00 N ATOM 1119 CA GLU A 68 7.462 -6.717 10.105 1.00 0.00 C ATOM 1120 C GLU A 68 7.668 -7.988 10.929 1.00 0.00 C ATOM 1121 O GLU A 68 8.733 -8.609 10.884 1.00 0.00 O ATOM 1122 CB GLU A 68 7.225 -5.495 11.009 1.00 0.00 C ATOM 1123 CG GLU A 68 8.399 -5.102 11.898 1.00 0.00 C ATOM 1124 CD GLU A 68 8.514 -5.948 13.151 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.585 -5.920 13.986 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.549 -6.628 13.320 1.00 0.00 O ATOM 0 H GLU A 68 5.600 -6.163 9.324 1.00 0.00 H new ATOM 0 HA GLU A 68 8.370 -6.552 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.967 -4.643 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.362 -5.696 11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.323 -5.186 11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.295 -4.055 12.183 1.00 0.00 H new ATOM 1133 N LYS A 69 6.624 -8.394 11.640 1.00 0.00 N ATOM 1134 CA LYS A 69 6.683 -9.577 12.491 1.00 0.00 C ATOM 1135 C LYS A 69 6.621 -10.850 11.646 1.00 0.00 C ATOM 1136 O LYS A 69 6.760 -11.963 12.158 1.00 0.00 O ATOM 1137 CB LYS A 69 5.532 -9.547 13.504 1.00 0.00 C ATOM 1138 CG LYS A 69 5.688 -10.531 14.654 1.00 0.00 C ATOM 1139 CD LYS A 69 4.525 -10.435 15.630 1.00 0.00 C ATOM 1140 CE LYS A 69 4.733 -11.315 16.852 1.00 0.00 C ATOM 1141 NZ LYS A 69 4.880 -12.749 16.490 1.00 0.00 N ATOM 0 H LYS A 69 5.721 -7.919 11.644 1.00 0.00 H new ATOM 0 HA LYS A 69 7.629 -9.575 13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.448 -8.540 13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.598 -9.759 12.983 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.752 -11.545 14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.623 -10.334 15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.401 -9.399 15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.604 -10.727 15.126 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.622 -10.984 17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.888 -11.198 17.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.901 -13.325 17.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.076 -13.042 15.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.766 -12.885 15.963 1.00 0.00 H new ATOM 1155 N LEU A 70 6.410 -10.677 10.348 1.00 0.00 N ATOM 1156 CA LEU A 70 6.390 -11.796 9.418 1.00 0.00 C ATOM 1157 C LEU A 70 7.817 -12.250 9.131 1.00 0.00 C ATOM 1158 O LEU A 70 8.055 -13.402 8.768 1.00 0.00 O ATOM 1159 CB LEU A 70 5.692 -11.393 8.117 1.00 0.00 C ATOM 1160 CG LEU A 70 5.431 -12.525 7.125 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.428 -13.513 7.695 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.933 -11.961 5.805 1.00 0.00 C ATOM 0 H LEU A 70 6.250 -9.768 9.915 1.00 0.00 H new ATOM 0 HA LEU A 70 5.836 -12.621 9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.739 -10.927 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.297 -10.634 7.622 1.00 0.00 H new ATOM 0 HG LEU A 70 6.367 -13.054 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.255 -14.312 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.820 -13.937 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.489 -13.000 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.751 -12.777 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.006 -11.411 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.684 -11.289 5.390 1.00 0.00 H new ATOM 1174 N GLY A 71 8.765 -11.338 9.315 1.00 0.00 N ATOM 1175 CA GLY A 71 10.161 -11.667 9.112 1.00 0.00 C ATOM 1176 C GLY A 71 10.752 -10.986 7.895 1.00 0.00 C ATOM 1177 O GLY A 71 11.857 -11.319 7.466 1.00 0.00 O ATOM 0 H GLY A 71 8.590 -10.375 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.730 -11.379 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.263 -12.747 9.004 1.00 0.00 H new ATOM 1181 N TYR A 72 10.022 -10.032 7.333 1.00 0.00 N ATOM 1182 CA TYR A 72 10.491 -9.316 6.155 1.00 0.00 C ATOM 1183 C TYR A 72 10.498 -7.813 6.412 1.00 0.00 C ATOM 1184 O TYR A 72 9.459 -7.156 6.338 1.00 0.00 O ATOM 1185 CB TYR A 72 9.611 -9.628 4.944 1.00 0.00 C ATOM 1186 CG TYR A 72 9.519 -11.096 4.591 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.620 -11.788 4.102 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.324 -11.785 4.738 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.530 -13.127 3.769 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.226 -13.122 4.406 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.330 -13.786 3.922 1.00 0.00 C ATOM 1192 OH TYR A 72 9.228 -15.117 3.585 1.00 0.00 O ATOM 0 H TYR A 72 9.106 -9.737 7.672 1.00 0.00 H new ATOM 0 HA TYR A 72 11.508 -9.646 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.606 -9.251 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.997 -9.084 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.561 -11.272 3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.456 -11.267 5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.395 -13.653 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.288 -13.644 4.526 1.00 0.00 H new ATOM 0 HH TYR A 72 8.314 -15.428 3.755 1.00 0.00 H new ATOM 1202 N LEU A 73 11.670 -7.272 6.712 1.00 0.00 N ATOM 1203 CA LEU A 73 11.790 -5.856 7.040 1.00 0.00 C ATOM 1204 C LEU A 73 11.780 -4.982 5.793 1.00 0.00 C ATOM 1205 O LEU A 73 11.072 -3.974 5.745 1.00 0.00 O ATOM 1206 CB LEU A 73 13.055 -5.592 7.856 1.00 0.00 C ATOM 1207 CG LEU A 73 12.975 -6.036 9.316 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.265 -5.702 10.046 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.787 -5.376 9.998 1.00 0.00 C ATOM 0 H LEU A 73 12.549 -7.789 6.736 1.00 0.00 H new ATOM 0 HA LEU A 73 10.920 -5.592 7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.892 -6.103 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.275 -4.525 7.826 1.00 0.00 H new ATOM 0 HG LEU A 73 12.838 -7.117 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.190 -6.025 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.098 -6.215 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.434 -4.626 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.739 -5.699 11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.901 -4.293 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.868 -5.663 9.486 1.00 0.00 H new ATOM 1221 N GLU A 74 12.549 -5.363 4.783 1.00 0.00 N ATOM 1222 CA GLU A 74 12.598 -4.589 3.553 1.00 0.00 C ATOM 1223 C GLU A 74 11.296 -4.719 2.791 1.00 0.00 C ATOM 1224 O GLU A 74 10.829 -3.757 2.195 1.00 0.00 O ATOM 1225 CB GLU A 74 13.772 -5.000 2.668 1.00 0.00 C ATOM 1226 CG GLU A 74 15.105 -4.465 3.152 1.00 0.00 C ATOM 1227 CD GLU A 74 16.191 -4.591 2.106 1.00 0.00 C ATOM 1228 OE1 GLU A 74 16.200 -3.776 1.153 1.00 0.00 O ATOM 1229 OE2 GLU A 74 17.040 -5.493 2.232 1.00 0.00 O ATOM 0 H GLU A 74 13.141 -6.194 4.790 1.00 0.00 H new ATOM 0 HA GLU A 74 12.744 -3.545 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.820 -6.088 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.594 -4.646 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.993 -3.417 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.405 -5.004 4.050 1.00 0.00 H new ATOM 1236 N ILE A 75 10.700 -5.904 2.821 1.00 0.00 N ATOM 1237 CA ILE A 75 9.405 -6.109 2.190 1.00 0.00 C ATOM 1238 C ILE A 75 8.371 -5.174 2.806 1.00 0.00 C ATOM 1239 O ILE A 75 7.636 -4.495 2.089 1.00 0.00 O ATOM 1240 CB ILE A 75 8.931 -7.572 2.310 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.927 -8.505 1.615 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.535 -7.745 1.722 1.00 0.00 C ATOM 1243 CD1 ILE A 75 10.166 -8.168 0.158 1.00 0.00 C ATOM 0 H ILE A 75 11.090 -6.732 3.272 1.00 0.00 H new ATOM 0 HA ILE A 75 9.516 -5.884 1.129 1.00 0.00 H new ATOM 0 HB ILE A 75 8.883 -7.832 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.877 -8.468 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.561 -9.529 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.225 -8.786 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.833 -7.106 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.547 -7.468 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.882 -8.872 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.226 -8.233 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.562 -7.156 0.079 1.00 0.00 H new ATOM 1255 N ALA A 76 8.352 -5.110 4.134 1.00 0.00 N ATOM 1256 CA ALA A 76 7.456 -4.203 4.842 1.00 0.00 C ATOM 1257 C ALA A 76 7.753 -2.754 4.474 1.00 0.00 C ATOM 1258 O ALA A 76 6.841 -1.955 4.272 1.00 0.00 O ATOM 1259 CB ALA A 76 7.582 -4.399 6.345 1.00 0.00 C ATOM 0 H ALA A 76 8.946 -5.675 4.741 1.00 0.00 H new ATOM 0 HA ALA A 76 6.433 -4.432 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.907 -3.715 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.322 -5.426 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.608 -4.197 6.654 1.00 0.00 H new ATOM 1265 N MET A 77 9.036 -2.429 4.383 1.00 0.00 N ATOM 1266 CA MET A 77 9.464 -1.081 4.026 1.00 0.00 C ATOM 1267 C MET A 77 9.060 -0.739 2.590 1.00 0.00 C ATOM 1268 O MET A 77 8.652 0.384 2.298 1.00 0.00 O ATOM 1269 CB MET A 77 10.980 -0.951 4.185 1.00 0.00 C ATOM 1270 CG MET A 77 11.449 0.481 4.380 1.00 0.00 C ATOM 1271 SD MET A 77 10.886 1.178 5.947 1.00 0.00 S ATOM 1272 CE MET A 77 11.602 0.003 7.098 1.00 0.00 C ATOM 0 H MET A 77 9.801 -3.082 4.552 1.00 0.00 H new ATOM 0 HA MET A 77 8.970 -0.379 4.698 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.300 -1.549 5.038 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.467 -1.367 3.303 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.538 0.513 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.082 1.096 3.558 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.744 0.483 8.066 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.933 -0.850 7.211 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.564 -0.339 6.717 1.00 0.00 H new ATOM 1282 N ARG A 78 9.175 -1.717 1.700 1.00 0.00 N ATOM 1283 CA ARG A 78 8.820 -1.528 0.297 1.00 0.00 C ATOM 1284 C ARG A 78 7.311 -1.419 0.130 1.00 0.00 C ATOM 1285 O ARG A 78 6.829 -0.602 -0.654 1.00 0.00 O ATOM 1286 CB ARG A 78 9.369 -2.671 -0.562 1.00 0.00 C ATOM 1287 CG ARG A 78 10.886 -2.725 -0.588 1.00 0.00 C ATOM 1288 CD ARG A 78 11.402 -3.956 -1.312 1.00 0.00 C ATOM 1289 NE ARG A 78 12.832 -4.144 -1.079 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.499 -5.262 -1.359 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.881 -6.287 -1.933 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.790 -5.351 -1.059 1.00 0.00 N ATOM 0 H ARG A 78 9.513 -2.653 1.925 1.00 0.00 H new ATOM 0 HA ARG A 78 9.272 -0.595 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.985 -3.618 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.998 -2.561 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.272 -1.830 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.266 -2.720 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.856 -4.836 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.215 -3.858 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 78 13.354 -3.367 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.889 -6.221 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.398 -7.140 -2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.266 -4.565 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.305 -6.205 -1.271 1.00 0.00 H new ATOM 1306 N VAL A 79 6.565 -2.233 0.868 1.00 0.00 N ATOM 1307 CA VAL A 79 5.110 -2.143 0.852 1.00 0.00 C ATOM 1308 C VAL A 79 4.677 -0.811 1.456 1.00 0.00 C ATOM 1309 O VAL A 79 3.705 -0.206 1.012 1.00 0.00 O ATOM 1310 CB VAL A 79 4.442 -3.319 1.604 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.930 -3.147 1.663 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.793 -4.641 0.936 1.00 0.00 C ATOM 0 H VAL A 79 6.940 -2.957 1.480 1.00 0.00 H new ATOM 0 HA VAL A 79 4.782 -2.203 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 79 4.823 -3.324 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.489 -3.988 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.689 -2.220 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.528 -3.109 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.316 -5.459 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.440 -4.632 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.874 -4.779 0.949 1.00 0.00 H new ATOM 1322 N LYS A 80 5.427 -0.349 2.453 1.00 0.00 N ATOM 1323 CA LYS A 80 5.217 0.979 3.019 1.00 0.00 C ATOM 1324 C LYS A 80 5.380 2.043 1.937 1.00 0.00 C ATOM 1325 O LYS A 80 4.616 3.001 1.880 1.00 0.00 O ATOM 1326 CB LYS A 80 6.208 1.246 4.156 1.00 0.00 C ATOM 1327 CG LYS A 80 6.071 2.631 4.776 1.00 0.00 C ATOM 1328 CD LYS A 80 7.259 2.971 5.661 1.00 0.00 C ATOM 1329 CE LYS A 80 7.336 2.067 6.880 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.581 2.298 7.661 1.00 0.00 N ATOM 0 H LYS A 80 6.186 -0.876 2.885 1.00 0.00 H new ATOM 0 HA LYS A 80 4.204 1.023 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.067 0.494 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.223 1.126 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.981 3.376 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.154 2.677 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.179 2.881 5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.186 4.010 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.469 2.242 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.294 1.025 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.394 2.128 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.323 1.648 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.897 3.280 7.528 1.00 0.00 H new ATOM 1344 N GLN A 81 6.382 1.863 1.080 1.00 0.00 N ATOM 1345 CA GLN A 81 6.626 2.781 -0.027 1.00 0.00 C ATOM 1346 C GLN A 81 5.448 2.777 -1.001 1.00 0.00 C ATOM 1347 O GLN A 81 4.963 3.838 -1.401 1.00 0.00 O ATOM 1348 CB GLN A 81 7.919 2.406 -0.760 1.00 0.00 C ATOM 1349 CG GLN A 81 8.225 3.285 -1.966 1.00 0.00 C ATOM 1350 CD GLN A 81 8.424 4.744 -1.600 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.539 5.175 -1.309 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.348 5.518 -1.619 1.00 0.00 N ATOM 0 H GLN A 81 7.040 1.086 1.132 1.00 0.00 H new ATOM 0 HA GLN A 81 6.734 3.786 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.752 2.465 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.851 1.369 -1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.123 2.914 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.409 3.204 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.440 5.123 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.428 6.508 -1.387 1.00 0.00 H new ATOM 1361 N TYR A 82 4.999 1.583 -1.381 1.00 0.00 N ATOM 1362 CA TYR A 82 3.829 1.442 -2.244 1.00 0.00 C ATOM 1363 C TYR A 82 2.618 2.093 -1.584 1.00 0.00 C ATOM 1364 O TYR A 82 1.881 2.848 -2.216 1.00 0.00 O ATOM 1365 CB TYR A 82 3.534 -0.038 -2.528 1.00 0.00 C ATOM 1366 CG TYR A 82 4.726 -0.824 -3.036 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.684 -0.231 -3.850 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.895 -2.163 -2.694 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.776 -0.945 -4.304 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.985 -2.883 -3.148 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.921 -2.268 -3.952 1.00 0.00 C ATOM 1372 OH TYR A 82 8.015 -2.978 -4.401 1.00 0.00 O ATOM 0 H TYR A 82 5.428 0.700 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 82 4.038 1.939 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.168 -0.506 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.731 -0.102 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.573 0.805 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.163 -2.647 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.513 -0.467 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.102 -3.921 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 82 7.969 -3.897 -4.064 1.00 0.00 H new ATOM 1382 N ALA A 83 2.437 1.802 -0.299 1.00 0.00 N ATOM 1383 CA ALA A 83 1.351 2.377 0.483 1.00 0.00 C ATOM 1384 C ALA A 83 1.436 3.896 0.507 1.00 0.00 C ATOM 1385 O ALA A 83 0.446 4.578 0.273 1.00 0.00 O ATOM 1386 CB ALA A 83 1.375 1.829 1.901 1.00 0.00 C ATOM 0 H ALA A 83 3.036 1.165 0.226 1.00 0.00 H new ATOM 0 HA ALA A 83 0.410 2.097 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.558 2.267 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.259 0.745 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.325 2.081 2.372 1.00 0.00 H new ATOM 1392 N THR A 84 2.629 4.415 0.781 1.00 0.00 N ATOM 1393 CA THR A 84 2.858 5.855 0.831 1.00 0.00 C ATOM 1394 C THR A 84 2.486 6.513 -0.497 1.00 0.00 C ATOM 1395 O THR A 84 1.914 7.604 -0.523 1.00 0.00 O ATOM 1396 CB THR A 84 4.330 6.171 1.173 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.667 5.598 2.442 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.577 7.673 1.216 1.00 0.00 C ATOM 0 H THR A 84 3.459 3.854 0.973 1.00 0.00 H new ATOM 0 HA THR A 84 2.221 6.260 1.617 1.00 0.00 H new ATOM 0 HB THR A 84 4.957 5.741 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.465 4.639 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.622 7.863 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.346 8.108 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.940 8.125 1.976 1.00 0.00 H new ATOM 1406 N ALA A 85 2.797 5.833 -1.595 1.00 0.00 N ATOM 1407 CA ALA A 85 2.454 6.329 -2.918 1.00 0.00 C ATOM 1408 C ALA A 85 0.939 6.373 -3.097 1.00 0.00 C ATOM 1409 O ALA A 85 0.395 7.338 -3.636 1.00 0.00 O ATOM 1410 CB ALA A 85 3.098 5.469 -3.993 1.00 0.00 C ATOM 0 H ALA A 85 3.286 4.938 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 85 2.839 7.344 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.830 5.855 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.182 5.492 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.745 4.442 -3.898 1.00 0.00 H new ATOM 1416 N ILE A 86 0.263 5.325 -2.631 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.196 5.278 -2.659 1.00 0.00 C ATOM 1418 C ILE A 86 -1.773 6.361 -1.754 1.00 0.00 C ATOM 1419 O ILE A 86 -2.725 7.046 -2.117 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.732 3.899 -2.207 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.150 2.787 -3.083 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.257 3.874 -2.253 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.555 1.393 -2.654 1.00 0.00 C ATOM 0 H ILE A 86 0.703 4.497 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.508 5.448 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.418 3.728 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.467 2.946 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.062 2.859 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.615 2.896 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.654 4.642 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.593 4.067 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.103 0.661 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.214 1.212 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.640 1.301 -2.695 1.00 0.00 H new ATOM 1435 N MET A 87 -1.172 6.522 -0.580 1.00 0.00 N ATOM 1436 CA MET A 87 -1.603 7.538 0.372 1.00 0.00 C ATOM 1437 C MET A 87 -1.471 8.933 -0.231 1.00 0.00 C ATOM 1438 O MET A 87 -2.335 9.779 -0.034 1.00 0.00 O ATOM 1439 CB MET A 87 -0.781 7.458 1.659 1.00 0.00 C ATOM 1440 CG MET A 87 -0.920 6.145 2.406 1.00 0.00 C ATOM 1441 SD MET A 87 0.158 6.064 3.847 1.00 0.00 S ATOM 1442 CE MET A 87 -0.008 4.338 4.286 1.00 0.00 C ATOM 0 H MET A 87 -0.382 5.959 -0.265 1.00 0.00 H new ATOM 0 HA MET A 87 -2.651 7.350 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.270 7.615 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.081 8.272 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.955 6.016 2.721 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.687 5.320 1.733 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.135 4.220 5.360 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.003 3.987 4.012 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.742 3.753 3.754 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.385 9.164 -0.965 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.170 10.442 -1.639 1.00 0.00 C ATOM 1454 C ARG A 88 -1.320 10.721 -2.601 1.00 0.00 C ATOM 1455 O ARG A 88 -1.855 11.829 -2.656 1.00 0.00 O ATOM 1456 CB ARG A 88 1.156 10.423 -2.406 1.00 0.00 C ATOM 1457 CG ARG A 88 1.536 11.773 -2.992 1.00 0.00 C ATOM 1458 CD ARG A 88 2.753 11.668 -3.894 1.00 0.00 C ATOM 1459 NE ARG A 88 3.227 12.982 -4.323 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.077 13.475 -5.553 1.00 0.00 C ATOM 1461 NH1 ARG A 88 2.477 12.758 -6.495 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.536 14.688 -5.834 1.00 0.00 N ATOM 0 H ARG A 88 0.360 8.482 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.130 11.231 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.949 10.090 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.090 9.691 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.696 12.174 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.740 12.476 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.552 11.148 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.506 11.067 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 88 3.706 13.562 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.127 11.824 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.365 13.141 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.000 15.238 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.424 15.071 -6.773 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.706 9.689 -3.341 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.821 9.772 -4.270 1.00 0.00 C ATOM 1478 C TYR A 89 -4.120 10.009 -3.498 1.00 0.00 C ATOM 1479 O TYR A 89 -4.972 10.796 -3.915 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.897 8.477 -5.087 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.872 8.506 -6.242 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.788 9.482 -7.228 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.860 7.536 -6.360 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.663 9.492 -8.298 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.741 7.542 -7.424 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.638 8.521 -8.390 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.510 8.522 -9.458 1.00 0.00 O ATOM 0 H TYR A 89 -1.255 8.774 -3.313 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.673 10.608 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.904 8.251 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.172 7.660 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.027 10.245 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.940 6.765 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.584 10.256 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.507 6.784 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.134 7.771 -9.372 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.240 9.343 -2.353 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.408 9.473 -1.488 1.00 0.00 C ATOM 1499 C ALA A 90 -5.542 10.889 -0.931 1.00 0.00 C ATOM 1500 O ALA A 90 -6.651 11.404 -0.790 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.325 8.469 -0.349 1.00 0.00 C ATOM 0 H ALA A 90 -3.532 8.699 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.294 9.268 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.201 8.573 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.291 7.459 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.424 8.655 0.235 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.411 11.507 -0.607 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.402 12.881 -0.108 1.00 0.00 C ATOM 1509 C VAL A 91 -4.920 13.838 -1.177 1.00 0.00 C ATOM 1510 O VAL A 91 -5.673 14.767 -0.883 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.988 13.328 0.338 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.988 14.788 0.773 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.477 12.446 1.468 1.00 0.00 C ATOM 0 H VAL A 91 -3.488 11.080 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.057 12.909 0.763 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.321 13.224 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.983 15.076 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.306 15.416 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.675 14.919 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.482 12.777 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.154 12.517 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.428 11.411 1.128 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.530 13.592 -2.422 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.969 14.418 -3.542 1.00 0.00 C ATOM 1525 C GLN A 92 -6.450 14.182 -3.842 1.00 0.00 C ATOM 1526 O GLN A 92 -7.149 15.071 -4.329 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.113 14.141 -4.780 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.638 14.453 -4.569 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.797 14.263 -5.818 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.188 13.328 -6.670 1.00 0.00 O flip ATOM 1531 NE2 GLN A 92 -0.797 14.951 -6.011 1.00 0.00 N flip ATOM 0 H GLN A 92 -3.909 12.826 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.843 15.465 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.220 13.093 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.488 14.735 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.538 15.483 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.249 13.813 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.528 15.662 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.236 14.811 -6.851 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.928 12.984 -3.532 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.347 12.666 -3.671 1.00 0.00 C ATOM 1542 C GLN A 93 -9.127 13.081 -2.427 1.00 0.00 C ATOM 1543 O GLN A 93 -10.329 12.837 -2.332 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.545 11.174 -3.934 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.190 10.748 -5.348 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.359 9.257 -5.555 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.164 8.468 -4.635 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.742 8.863 -6.759 1.00 0.00 N ATOM 0 H GLN A 93 -6.356 12.215 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.729 13.228 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.936 10.607 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.585 10.915 -3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.820 11.285 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.159 11.028 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.893 9.551 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.886 7.871 -6.949 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.424 13.693 -1.469 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.040 14.231 -0.253 1.00 0.00 C ATOM 1559 C LYS A 94 -9.624 13.132 0.629 1.00 0.00 C ATOM 1560 O LYS A 94 -10.482 13.399 1.474 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.133 15.245 -0.609 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.601 16.514 -1.248 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.727 17.462 -1.620 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.193 18.830 -2.002 1.00 0.00 C ATOM 1565 NZ LYS A 94 -9.545 19.510 -0.850 1.00 0.00 N ATOM 0 H LYS A 94 -7.414 13.829 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.251 14.728 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.844 14.776 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.682 15.507 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.918 17.011 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.027 16.261 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.296 17.046 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.415 17.559 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.474 18.726 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.009 19.448 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.499 20.533 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.100 19.336 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.582 19.137 -0.723 1.00 0.00 H new ATOM 1579 N MET A 95 -9.146 11.909 0.463 1.00 0.00 N ATOM 1580 CA MET A 95 -9.675 10.791 1.231 1.00 0.00 C ATOM 1581 C MET A 95 -9.088 10.771 2.633 1.00 0.00 C ATOM 1582 O MET A 95 -9.768 10.415 3.595 1.00 0.00 O ATOM 1583 CB MET A 95 -9.391 9.463 0.541 1.00 0.00 C ATOM 1584 CG MET A 95 -9.976 9.357 -0.854 1.00 0.00 C ATOM 1585 SD MET A 95 -10.050 7.656 -1.434 1.00 0.00 S ATOM 1586 CE MET A 95 -8.357 7.135 -1.174 1.00 0.00 C ATOM 0 H MET A 95 -8.401 11.666 -0.189 1.00 0.00 H new ATOM 0 HA MET A 95 -10.755 10.926 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.312 9.318 0.484 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.789 8.654 1.154 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.979 9.784 -0.859 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.374 9.948 -1.544 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.243 6.097 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.688 7.766 -1.759 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.107 7.224 -0.117 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.824 11.151 2.745 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.149 11.165 4.033 1.00 0.00 C ATOM 1598 C ILE A 96 -6.540 12.532 4.305 1.00 0.00 C ATOM 1599 O ILE A 96 -6.513 13.397 3.425 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.048 10.085 4.123 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.028 10.255 2.993 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.667 8.694 4.091 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.891 9.258 3.048 1.00 0.00 C ATOM 0 H ILE A 96 -7.246 11.453 1.961 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.904 10.944 4.788 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.522 10.205 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.540 10.158 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.618 11.264 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.879 7.944 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.347 8.579 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.218 8.562 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.208 9.439 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.354 9.370 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.290 8.246 2.976 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.053 12.719 5.524 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.484 13.993 5.935 1.00 0.00 C ATOM 1617 C ARG A 97 -4.030 14.088 5.487 1.00 0.00 C ATOM 1618 O ARG A 97 -3.679 14.913 4.647 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.565 14.142 7.458 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.945 13.858 8.028 1.00 0.00 C ATOM 1621 CD ARG A 97 -6.942 13.900 9.547 1.00 0.00 C ATOM 1622 NE ARG A 97 -5.931 13.008 10.119 1.00 0.00 N ATOM 1623 CZ ARG A 97 -6.191 11.809 10.645 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.427 11.323 10.636 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -5.204 11.096 11.175 1.00 0.00 N ATOM 0 H ARG A 97 -6.041 12.000 6.248 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.055 14.795 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.845 13.466 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.270 15.155 7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.655 14.590 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.284 12.878 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.755 14.921 9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.927 13.618 9.919 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.961 13.325 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.186 11.867 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.617 10.406 11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.253 11.465 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.397 10.179 11.578 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.198 13.223 6.051 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.779 13.190 5.735 1.00 0.00 C ATOM 1641 C PHE A 98 -1.332 11.743 5.580 1.00 0.00 C ATOM 1642 O PHE A 98 -2.166 10.841 5.530 1.00 0.00 O ATOM 1643 CB PHE A 98 -0.963 13.883 6.836 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.334 15.324 7.050 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.927 16.300 6.153 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.093 15.703 8.145 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.270 17.624 6.346 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.440 17.026 8.343 1.00 0.00 C ATOM 1649 CZ PHE A 98 -2.028 17.987 7.443 1.00 0.00 C ATOM 0 H PHE A 98 -3.488 12.527 6.738 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.610 13.725 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.098 13.340 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.095 13.824 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.335 16.022 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.418 14.955 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.946 18.375 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.033 17.307 9.201 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.298 19.022 7.596 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.025 11.520 5.510 1.00 0.00 N ATOM 1660 CA ASN A 99 0.508 10.171 5.359 1.00 0.00 C ATOM 1661 C ASN A 99 1.058 9.669 6.689 1.00 0.00 C ATOM 1662 O ASN A 99 2.176 10.015 7.071 1.00 0.00 O ATOM 1663 CB ASN A 99 1.623 10.136 4.311 1.00 0.00 C ATOM 1664 CG ASN A 99 1.270 10.873 3.033 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.548 12.064 2.895 1.00 0.00 O ATOM 1666 ND2 ASN A 99 0.680 10.172 2.086 1.00 0.00 N ATOM 0 H ASN A 99 0.683 12.253 5.555 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.307 9.526 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.526 10.574 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.854 9.098 4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.437 10.615 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.466 9.186 2.239 1.00 0.00 H new ATOM 1673 N PRO A 100 0.281 8.847 7.413 1.00 0.00 N ATOM 1674 CA PRO A 100 0.667 8.340 8.739 1.00 0.00 C ATOM 1675 C PRO A 100 1.887 7.421 8.698 1.00 0.00 C ATOM 1676 O PRO A 100 2.524 7.180 9.721 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.567 7.556 9.203 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.680 8.028 8.332 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.047 8.360 7.013 1.00 0.00 C ATOM 0 HA PRO A 100 0.952 9.156 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.413 6.482 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.782 7.746 10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.442 7.257 8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.171 8.901 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.981 7.487 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.612 9.119 6.471 1.00 0.00 H new ATOM 1687 N ALA A 101 2.218 6.929 7.508 1.00 0.00 N ATOM 1688 CA ALA A 101 3.317 5.980 7.343 1.00 0.00 C ATOM 1689 C ALA A 101 4.658 6.584 7.755 1.00 0.00 C ATOM 1690 O ALA A 101 5.505 5.899 8.329 1.00 0.00 O ATOM 1691 CB ALA A 101 3.376 5.489 5.906 1.00 0.00 C ATOM 0 H ALA A 101 1.740 7.172 6.640 1.00 0.00 H new ATOM 0 HA ALA A 101 3.124 5.134 8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.199 4.783 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.438 4.996 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.533 6.336 5.238 1.00 0.00 H new ATOM 1697 N TYR A 102 4.855 7.861 7.457 1.00 0.00 N ATOM 1698 CA TYR A 102 6.076 8.548 7.859 1.00 0.00 C ATOM 1699 C TYR A 102 5.738 9.747 8.736 1.00 0.00 C ATOM 1700 O TYR A 102 6.572 10.622 8.972 1.00 0.00 O ATOM 1701 CB TYR A 102 6.906 8.974 6.637 1.00 0.00 C ATOM 1702 CG TYR A 102 6.195 9.892 5.667 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.220 11.270 5.838 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.515 9.378 4.573 1.00 0.00 C ATOM 1705 CE1 TYR A 102 5.581 12.109 4.946 1.00 0.00 C ATOM 1706 CE2 TYR A 102 4.878 10.211 3.676 1.00 0.00 C ATOM 1707 CZ TYR A 102 4.913 11.575 3.867 1.00 0.00 C ATOM 1708 OH TYR A 102 4.276 12.407 2.973 1.00 0.00 O ATOM 0 H TYR A 102 4.191 8.439 6.942 1.00 0.00 H new ATOM 0 HA TYR A 102 6.685 7.854 8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.811 9.471 6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.221 8.079 6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.747 11.692 6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.484 8.309 4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.605 13.179 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.354 9.795 2.828 1.00 0.00 H new ATOM 0 HH TYR A 102 3.306 12.337 3.095 1.00 0.00 H new ATOM 1718 N ASP A 103 4.511 9.750 9.250 1.00 0.00 N ATOM 1719 CA ASP A 103 4.025 10.822 10.121 1.00 0.00 C ATOM 1720 C ASP A 103 4.783 10.817 11.447 1.00 0.00 C ATOM 1721 O ASP A 103 4.754 11.786 12.209 1.00 0.00 O ATOM 1722 CB ASP A 103 2.520 10.646 10.366 1.00 0.00 C ATOM 1723 CG ASP A 103 1.915 11.757 11.199 1.00 0.00 C ATOM 1724 OD1 ASP A 103 1.615 12.833 10.637 1.00 0.00 O ATOM 1725 OD2 ASP A 103 1.731 11.563 12.418 1.00 0.00 O ATOM 0 H ASP A 103 3.826 9.014 9.077 1.00 0.00 H new ATOM 0 HA ASP A 103 4.197 11.781 9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.006 10.600 9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.349 9.692 10.866 1.00 0.00 H new ATOM 1730 N LEU A 104 5.487 9.718 11.693 1.00 0.00 N ATOM 1731 CA LEU A 104 6.271 9.548 12.909 1.00 0.00 C ATOM 1732 C LEU A 104 7.522 10.420 12.862 1.00 0.00 C ATOM 1733 O LEU A 104 8.239 10.542 13.861 1.00 0.00 O ATOM 1734 CB LEU A 104 6.693 8.085 13.068 1.00 0.00 C ATOM 1735 CG LEU A 104 5.632 7.043 12.710 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.199 5.646 12.882 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.381 7.221 13.557 1.00 0.00 C ATOM 0 H LEU A 104 5.530 8.922 11.057 1.00 0.00 H new ATOM 0 HA LEU A 104 5.652 9.845 13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.571 7.910 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.998 7.925 14.102 1.00 0.00 H new ATOM 0 HG LEU A 104 5.349 7.184 11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.437 4.910 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.061 5.520 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.507 5.503 13.918 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.644 6.467 13.281 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.636 7.110 14.611 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.965 8.214 13.387 1.00 0.00 H new ATOM 1749 N GLU A 105 7.785 10.994 11.682 1.00 0.00 N ATOM 1750 CA GLU A 105 8.949 11.849 11.439 1.00 0.00 C ATOM 1751 C GLU A 105 10.237 11.022 11.383 1.00 0.00 C ATOM 1752 O GLU A 105 10.936 11.018 10.370 1.00 0.00 O ATOM 1753 CB GLU A 105 9.060 12.949 12.500 1.00 0.00 C ATOM 1754 CG GLU A 105 10.250 13.870 12.307 1.00 0.00 C ATOM 1755 CD GLU A 105 10.435 14.826 13.463 1.00 0.00 C ATOM 1756 OE1 GLU A 105 10.878 14.374 14.542 1.00 0.00 O ATOM 1757 OE2 GLU A 105 10.147 16.028 13.303 1.00 0.00 O ATOM 0 H GLU A 105 7.189 10.876 10.863 1.00 0.00 H new ATOM 0 HA GLU A 105 8.809 12.328 10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.147 13.544 12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.127 12.486 13.484 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.153 13.271 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.120 14.439 11.386 1.00 0.00 H new ATOM 1764 N GLY A 106 10.534 10.309 12.459 1.00 0.00 N ATOM 1765 CA GLY A 106 11.741 9.515 12.513 1.00 0.00 C ATOM 1766 C GLY A 106 11.929 8.860 13.863 1.00 0.00 C ATOM 1767 O GLY A 106 13.039 8.818 14.389 1.00 0.00 O ATOM 0 H GLY A 106 9.957 10.267 13.299 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.705 8.748 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.601 10.148 12.294 1.00 0.00 H new ATOM 1771 N ALA A 107 10.841 8.338 14.418 1.00 0.00 N ATOM 1772 CA ALA A 107 10.874 7.717 15.737 1.00 0.00 C ATOM 1773 C ALA A 107 11.659 6.406 15.716 1.00 0.00 C ATOM 1774 O ALA A 107 12.102 5.918 16.755 1.00 0.00 O ATOM 1775 CB ALA A 107 9.458 7.482 16.242 1.00 0.00 C ATOM 0 H ALA A 107 9.923 8.333 13.974 1.00 0.00 H new ATOM 0 HA ALA A 107 11.384 8.398 16.418 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.496 7.018 17.228 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.933 8.435 16.309 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.930 6.825 15.551 1.00 0.00 H new ATOM 1781 N VAL A 108 11.829 5.841 14.530 1.00 0.00 N ATOM 1782 CA VAL A 108 12.576 4.602 14.383 1.00 0.00 C ATOM 1783 C VAL A 108 14.070 4.898 14.312 1.00 0.00 C ATOM 1784 O VAL A 108 14.611 5.198 13.244 1.00 0.00 O ATOM 1785 CB VAL A 108 12.140 3.814 13.130 1.00 0.00 C ATOM 1786 CG1 VAL A 108 12.836 2.462 13.072 1.00 0.00 C ATOM 1787 CG2 VAL A 108 10.629 3.637 13.110 1.00 0.00 C ATOM 0 H VAL A 108 11.461 6.220 13.658 1.00 0.00 H new ATOM 0 HA VAL A 108 12.364 3.985 15.256 1.00 0.00 H new ATOM 0 HB VAL A 108 12.433 4.386 12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.513 1.924 12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.915 2.610 13.036 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.579 1.882 13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.340 3.079 12.219 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.315 3.090 13.999 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.148 4.615 13.097 1.00 0.00 H new ATOM 1797 N GLN A 109 14.725 4.842 15.459 1.00 0.00 N ATOM 1798 CA GLN A 109 16.142 5.150 15.547 1.00 0.00 C ATOM 1799 C GLN A 109 16.916 3.947 16.056 1.00 0.00 C ATOM 1800 O GLN A 109 16.358 3.078 16.722 1.00 0.00 O ATOM 1801 CB GLN A 109 16.379 6.340 16.478 1.00 0.00 C ATOM 1802 CG GLN A 109 15.720 7.627 16.010 1.00 0.00 C ATOM 1803 CD GLN A 109 16.024 8.800 16.919 1.00 0.00 C ATOM 1804 OE1 GLN A 109 16.222 8.637 18.123 1.00 0.00 O ATOM 1805 NE2 GLN A 109 16.067 9.991 16.347 1.00 0.00 N ATOM 0 H GLN A 109 14.295 4.584 16.347 1.00 0.00 H new ATOM 0 HA GLN A 109 16.493 5.406 14.547 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.005 6.092 17.471 1.00 0.00 H new ATOM 0 HB3 GLN A 109 17.452 6.506 16.574 1.00 0.00 H new ATOM 0 HG2 GLN A 109 16.058 7.858 15.000 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.641 7.481 15.960 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.897 10.082 15.345 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.270 10.819 16.907 1.00 0.00 H new ATOM 1814 N LYS A 110 18.202 3.905 15.743 1.00 0.00 N ATOM 1815 CA LYS A 110 19.069 2.839 16.218 1.00 0.00 C ATOM 1816 C LYS A 110 19.765 3.278 17.501 1.00 0.00 C ATOM 1817 O LYS A 110 20.462 2.495 18.150 1.00 0.00 O ATOM 1818 CB LYS A 110 20.102 2.476 15.148 1.00 0.00 C ATOM 1819 CG LYS A 110 19.479 2.076 13.821 1.00 0.00 C ATOM 1820 CD LYS A 110 20.536 1.748 12.780 1.00 0.00 C ATOM 1821 CE LYS A 110 19.912 1.468 11.421 1.00 0.00 C ATOM 1822 NZ LYS A 110 19.172 2.647 10.894 1.00 0.00 N ATOM 0 H LYS A 110 18.669 4.600 15.160 1.00 0.00 H new ATOM 0 HA LYS A 110 18.466 1.955 16.425 1.00 0.00 H new ATOM 0 HB2 LYS A 110 20.764 3.327 14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 110 20.720 1.656 15.513 1.00 0.00 H new ATOM 0 HG2 LYS A 110 18.833 1.211 13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 110 18.848 2.887 13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 110 21.236 2.580 12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 110 21.110 0.880 13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 110 20.693 1.185 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 110 19.232 0.620 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 19.012 2.528 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.257 2.728 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 19.730 3.509 11.059 1.00 0.00 H new ATOM 1836 N LEU A 111 19.567 4.546 17.851 1.00 0.00 N ATOM 1837 CA LEU A 111 20.123 5.108 19.077 1.00 0.00 C ATOM 1838 C LEU A 111 19.341 4.612 20.286 1.00 0.00 C ATOM 1839 O LEU A 111 19.892 4.444 21.375 1.00 0.00 O ATOM 1840 CB LEU A 111 20.078 6.634 19.019 1.00 0.00 C ATOM 1841 CG LEU A 111 20.852 7.266 17.862 1.00 0.00 C ATOM 1842 CD1 LEU A 111 20.604 8.765 17.815 1.00 0.00 C ATOM 1843 CD2 LEU A 111 22.340 6.975 17.999 1.00 0.00 C ATOM 0 H LEU A 111 19.022 5.207 17.298 1.00 0.00 H new ATOM 0 HA LEU A 111 21.160 4.785 19.172 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.036 6.948 18.952 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.471 7.029 19.956 1.00 0.00 H new ATOM 0 HG LEU A 111 20.499 6.829 16.928 1.00 0.00 H new ATOM 0 HD11 LEU A 111 21.162 9.200 16.986 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.540 8.953 17.675 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.932 9.218 18.751 1.00 0.00 H new ATOM 0 HD21 LEU A 111 22.878 7.431 17.168 1.00 0.00 H new ATOM 0 HD22 LEU A 111 22.706 7.388 18.939 1.00 0.00 H new ATOM 0 HD23 LEU A 111 22.502 5.897 17.988 1.00 0.00 H new ATOM 1855 N GLU A 112 18.053 4.386 20.082 1.00 0.00 N ATOM 1856 CA GLU A 112 17.195 3.850 21.121 1.00 0.00 C ATOM 1857 C GLU A 112 16.753 2.454 20.704 1.00 0.00 C ATOM 1858 O GLU A 112 15.959 2.298 19.776 1.00 0.00 O ATOM 1859 CB GLU A 112 15.995 4.780 21.343 1.00 0.00 C ATOM 1860 CG GLU A 112 15.249 4.531 22.645 1.00 0.00 C ATOM 1861 CD GLU A 112 14.381 5.709 23.052 1.00 0.00 C ATOM 1862 OE1 GLU A 112 14.941 6.775 23.379 1.00 0.00 O ATOM 1863 OE2 GLU A 112 13.140 5.574 23.068 1.00 0.00 O ATOM 0 H GLU A 112 17.578 4.568 19.198 1.00 0.00 H new ATOM 0 HA GLU A 112 17.733 3.784 22.067 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.342 5.813 21.327 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.300 4.664 20.511 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.625 3.644 22.539 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.968 4.322 23.438 1.00 0.00 H new ATOM 1870 N HIS A 113 17.292 1.446 21.381 1.00 0.00 N ATOM 1871 CA HIS A 113 17.130 0.055 20.964 1.00 0.00 C ATOM 1872 C HIS A 113 15.665 -0.366 21.012 1.00 0.00 C ATOM 1873 O HIS A 113 15.207 -1.161 20.195 1.00 0.00 O ATOM 1874 CB HIS A 113 17.977 -0.858 21.850 1.00 0.00 C ATOM 1875 CG HIS A 113 18.359 -2.142 21.189 1.00 0.00 C ATOM 1876 ND1 HIS A 113 19.363 -2.224 20.254 1.00 0.00 N ATOM 1877 CD2 HIS A 113 17.878 -3.398 21.334 1.00 0.00 C ATOM 1878 CE1 HIS A 113 19.484 -3.471 19.849 1.00 0.00 C ATOM 1879 NE2 HIS A 113 18.595 -4.209 20.489 1.00 0.00 N ATOM 0 H HIS A 113 17.849 1.566 22.227 1.00 0.00 H new ATOM 0 HA HIS A 113 17.470 -0.035 19.932 1.00 0.00 H new ATOM 0 HB2 HIS A 113 18.882 -0.327 22.145 1.00 0.00 H new ATOM 0 HB3 HIS A 113 17.425 -1.079 22.763 1.00 0.00 H new ATOM 0 HD2 HIS A 113 17.079 -3.706 21.992 1.00 0.00 H new ATOM 0 HE1 HIS A 113 20.192 -3.830 19.116 1.00 0.00 H new ATOM 0 HE2 HIS A 113 18.463 -5.214 20.375 1.00 0.00 H new ATOM 1888 N HIS A 114 14.949 0.165 21.983 1.00 0.00 N ATOM 1889 CA HIS A 114 13.511 -0.012 22.064 1.00 0.00 C ATOM 1890 C HIS A 114 12.887 1.316 22.444 1.00 0.00 C ATOM 1891 O HIS A 114 12.889 1.693 23.617 1.00 0.00 O ATOM 1892 CB HIS A 114 13.142 -1.103 23.081 1.00 0.00 C ATOM 1893 CG HIS A 114 11.665 -1.343 23.218 1.00 0.00 C ATOM 1894 ND1 HIS A 114 10.951 -2.172 22.377 1.00 0.00 N ATOM 1895 CD2 HIS A 114 10.769 -0.863 24.114 1.00 0.00 C ATOM 1896 CE1 HIS A 114 9.684 -2.189 22.748 1.00 0.00 C ATOM 1897 NE2 HIS A 114 9.549 -1.405 23.798 1.00 0.00 N ATOM 0 H HIS A 114 15.344 0.729 22.735 1.00 0.00 H new ATOM 0 HA HIS A 114 13.128 -0.337 21.097 1.00 0.00 H new ATOM 0 HB2 HIS A 114 13.625 -2.035 22.788 1.00 0.00 H new ATOM 0 HB3 HIS A 114 13.546 -0.827 24.055 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.977 -0.181 24.925 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.893 -2.750 22.272 1.00 0.00 H new ATOM 0 HE2 HIS A 114 8.677 -1.229 24.296 1.00 0.00 H new ATOM 1906 N HIS A 115 12.406 2.040 21.438 1.00 0.00 N ATOM 1907 CA HIS A 115 11.851 3.369 21.646 1.00 0.00 C ATOM 1908 C HIS A 115 10.765 3.337 22.713 1.00 0.00 C ATOM 1909 O HIS A 115 9.817 2.553 22.633 1.00 0.00 O ATOM 1910 CB HIS A 115 11.290 3.938 20.337 1.00 0.00 C ATOM 1911 CG HIS A 115 11.119 5.431 20.349 1.00 0.00 C ATOM 1912 ND1 HIS A 115 11.689 6.260 19.407 1.00 0.00 N ATOM 1913 CD2 HIS A 115 10.438 6.244 21.189 1.00 0.00 C ATOM 1914 CE1 HIS A 115 11.369 7.512 19.673 1.00 0.00 C ATOM 1915 NE2 HIS A 115 10.610 7.531 20.747 1.00 0.00 N ATOM 0 H HIS A 115 12.390 1.725 20.468 1.00 0.00 H new ATOM 0 HA HIS A 115 12.656 4.019 21.987 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.955 3.664 19.518 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.326 3.473 20.133 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.268 5.953 18.626 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.864 5.936 22.050 1.00 0.00 H new ATOM 0 HE1 HIS A 115 11.678 8.376 19.104 1.00 0.00 H new ATOM 1924 N HIS A 116 10.924 4.188 23.713 1.00 0.00 N ATOM 1925 CA HIS A 116 9.978 4.268 24.814 1.00 0.00 C ATOM 1926 C HIS A 116 8.637 4.788 24.312 1.00 0.00 C ATOM 1927 O HIS A 116 8.582 5.700 23.489 1.00 0.00 O ATOM 1928 CB HIS A 116 10.509 5.180 25.928 1.00 0.00 C ATOM 1929 CG HIS A 116 11.827 4.750 26.497 1.00 0.00 C ATOM 1930 ND1 HIS A 116 11.961 3.691 27.366 1.00 0.00 N ATOM 1931 CD2 HIS A 116 13.075 5.246 26.319 1.00 0.00 C ATOM 1932 CE1 HIS A 116 13.230 3.555 27.699 1.00 0.00 C ATOM 1933 NE2 HIS A 116 13.929 4.484 27.077 1.00 0.00 N ATOM 0 H HIS A 116 11.706 4.839 23.785 1.00 0.00 H new ATOM 0 HA HIS A 116 9.846 3.267 25.224 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.608 6.193 25.537 1.00 0.00 H new ATOM 0 HB3 HIS A 116 9.774 5.219 26.732 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.348 6.085 25.696 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.630 2.808 28.369 1.00 0.00 H new ATOM 0 HE2 HIS A 116 14.938 4.615 27.147 1.00 0.00 H new ATOM 1942 N HIS A 117 7.559 4.206 24.810 1.00 0.00 N ATOM 1943 CA HIS A 117 6.218 4.601 24.397 1.00 0.00 C ATOM 1944 C HIS A 117 5.744 5.799 25.207 1.00 0.00 C ATOM 1945 O HIS A 117 4.618 6.270 25.046 1.00 0.00 O ATOM 1946 CB HIS A 117 5.236 3.437 24.557 1.00 0.00 C ATOM 1947 CG HIS A 117 5.402 2.356 23.529 1.00 0.00 C ATOM 1948 ND1 HIS A 117 4.365 1.896 22.746 1.00 0.00 N ATOM 1949 CD2 HIS A 117 6.491 1.638 23.161 1.00 0.00 C ATOM 1950 CE1 HIS A 117 4.807 0.949 21.942 1.00 0.00 C ATOM 1951 NE2 HIS A 117 6.093 0.775 22.174 1.00 0.00 N ATOM 0 H HIS A 117 7.584 3.457 25.502 1.00 0.00 H new ATOM 0 HA HIS A 117 6.256 4.880 23.344 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.360 3.003 25.549 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.218 3.823 24.503 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.487 1.729 23.569 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.216 0.408 21.217 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.695 0.105 21.695 1.00 0.00 H new ATOM 1960 N HIS A 118 6.608 6.280 26.086 1.00 0.00 N ATOM 1961 CA HIS A 118 6.300 7.427 26.917 1.00 0.00 C ATOM 1962 C HIS A 118 7.555 8.268 27.121 1.00 0.00 C ATOM 1963 O HIS A 118 7.886 9.066 26.220 1.00 0.00 O ATOM 1964 CB HIS A 118 5.738 6.964 28.265 1.00 0.00 C ATOM 1965 CG HIS A 118 5.149 8.067 29.087 1.00 0.00 C ATOM 1966 ND1 HIS A 118 3.852 8.503 28.936 1.00 0.00 N ATOM 1967 CD2 HIS A 118 5.683 8.814 30.080 1.00 0.00 C ATOM 1968 CE1 HIS A 118 3.613 9.469 29.801 1.00 0.00 C ATOM 1969 NE2 HIS A 118 4.707 9.678 30.509 1.00 0.00 N ATOM 1970 OXT HIS A 118 8.207 8.122 28.170 1.00 0.00 O ATOM 0 H HIS A 118 7.537 5.888 26.241 1.00 0.00 H new ATOM 0 HA HIS A 118 5.546 8.038 26.421 1.00 0.00 H new ATOM 0 HB2 HIS A 118 4.973 6.208 28.088 1.00 0.00 H new ATOM 0 HB3 HIS A 118 6.534 6.485 28.835 1.00 0.00 H new ATOM 0 HD2 HIS A 118 6.690 8.744 30.464 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.679 10.000 29.912 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.810 10.368 31.253 1.00 0.00 H new TER 1979 HIS A 118