USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 62 ASN : amide:sc= 0 X(o=-4.4,f=-4.4) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-4.5!) USER MOD Set 2.1: A 20 THR OG1 : rot 177:sc= -5.88! USER MOD Set 2.2: A 23 GLN : amide:sc= -13.1! C(o=-19!,f=-29!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.892 USER MOD Single : A 3 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.76!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -2.03! C(o=-2!,f=-7.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.63) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.156 (180deg=-1.25) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.142) USER MOD Single : A 24 THR OG1 : rot 174:sc= -1.19 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.099 USER MOD Single : A 33 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.5!) USER MOD Single : A 34 GLN : amide:sc= -2.27! C(o=-2.3!,f=-8.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 38 SER OG : rot 85:sc= 1.04 USER MOD Single : A 44 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.17) USER MOD Single : A 46 THR OG1 : rot 53:sc= -7.39! USER MOD Single : A 47 SER OG : rot -94:sc= 0.635 USER MOD Single : A 52 THR OG1 : rot -160:sc= -4.77! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.315) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.29 USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= -0.191 (180deg=-1.14) USER MOD Single : A 67 THR OG1 : rot -14:sc= -2.9! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.05 K(o=-1,f=-3.9!) USER MOD Single : A 72 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.5!) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.375 (180deg=-0.966) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.142 12.468 -18.455 1.00 0.00 N ATOM 2 CA GLY A 1 22.044 10.948 -18.330 1.00 0.00 C ATOM 3 C GLY A 1 20.788 10.337 -17.810 1.00 0.00 C ATOM 4 O GLY A 1 20.145 10.869 -16.927 1.00 0.00 O ATOM 0 H1 GLY A 1 23.077 12.726 -18.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.403 12.812 -19.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.013 12.902 -17.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.229 10.526 -19.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.859 10.619 -17.685 1.00 0.00 H new ATOM 10 N SER A 2 20.405 9.207 -18.339 1.00 0.00 N ATOM 11 CA SER A 2 19.157 8.548 -17.861 1.00 0.00 C ATOM 12 C SER A 2 19.491 7.160 -17.311 1.00 0.00 C ATOM 13 O SER A 2 19.588 6.198 -18.046 1.00 0.00 O ATOM 14 CB SER A 2 18.178 8.410 -19.028 1.00 0.00 C ATOM 15 OG SER A 2 18.807 7.707 -20.091 1.00 0.00 O ATOM 0 H SER A 2 20.901 8.713 -19.080 1.00 0.00 H new ATOM 0 HA SER A 2 18.705 9.151 -17.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.283 7.878 -18.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.859 9.395 -19.368 1.00 0.00 H new ATOM 0 HG SER A 2 19.216 6.887 -19.744 1.00 0.00 H new ATOM 21 N HIS A 3 19.668 7.048 -16.022 1.00 0.00 N ATOM 22 CA HIS A 3 19.996 5.721 -15.430 1.00 0.00 C ATOM 23 C HIS A 3 19.003 5.403 -14.309 1.00 0.00 C ATOM 24 O HIS A 3 18.092 4.619 -14.480 1.00 0.00 O ATOM 25 CB HIS A 3 21.416 5.752 -14.863 1.00 0.00 C ATOM 26 CG HIS A 3 22.396 5.394 -15.947 1.00 0.00 C ATOM 27 ND1 HIS A 3 22.028 4.660 -17.064 1.00 0.00 N ATOM 28 CD2 HIS A 3 23.734 5.662 -16.098 1.00 0.00 C ATOM 29 CE1 HIS A 3 23.123 4.513 -17.832 1.00 0.00 C ATOM 30 NE2 HIS A 3 24.191 5.105 -17.289 1.00 0.00 N ATOM 0 H HIS A 3 19.600 7.817 -15.355 1.00 0.00 H new ATOM 0 HA HIS A 3 19.931 4.953 -16.201 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.640 6.743 -14.468 1.00 0.00 H new ATOM 0 HB3 HIS A 3 21.503 5.051 -14.033 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.340 6.220 -15.399 1.00 0.00 H new ATOM 0 HE1 HIS A 3 23.137 3.982 -18.772 1.00 0.00 H new ATOM 0 HE2 HIS A 3 25.138 5.141 -17.666 1.00 0.00 H new ATOM 38 N MET A 4 19.172 6.006 -13.164 1.00 0.00 N ATOM 39 CA MET A 4 18.237 5.734 -12.036 1.00 0.00 C ATOM 40 C MET A 4 17.157 6.818 -11.994 1.00 0.00 C ATOM 41 O MET A 4 16.463 7.054 -12.963 1.00 0.00 O ATOM 42 CB MET A 4 19.012 5.735 -10.717 1.00 0.00 C ATOM 43 CG MET A 4 19.860 4.466 -10.619 1.00 0.00 C ATOM 44 SD MET A 4 18.978 3.225 -9.640 1.00 0.00 S ATOM 45 CE MET A 4 20.432 2.413 -8.932 1.00 0.00 C ATOM 0 H MET A 4 19.916 6.674 -12.961 1.00 0.00 H new ATOM 0 HA MET A 4 17.769 4.760 -12.181 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.651 6.616 -10.659 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.320 5.788 -9.877 1.00 0.00 H new ATOM 0 HG2 MET A 4 20.069 4.077 -11.616 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.821 4.693 -10.158 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.113 1.599 -8.281 1.00 0.00 H new ATOM 0 HE2 MET A 4 21.053 2.014 -9.734 1.00 0.00 H new ATOM 0 HE3 MET A 4 21.007 3.136 -8.354 1.00 0.00 H new ATOM 55 N SER A 5 17.008 7.480 -10.879 1.00 0.00 N ATOM 56 CA SER A 5 15.972 8.546 -10.778 1.00 0.00 C ATOM 57 C SER A 5 16.515 9.711 -9.947 1.00 0.00 C ATOM 58 O SER A 5 17.414 9.549 -9.146 1.00 0.00 O ATOM 59 CB SER A 5 14.721 7.979 -10.108 1.00 0.00 C ATOM 60 OG SER A 5 14.816 6.562 -10.059 1.00 0.00 O ATOM 0 H SER A 5 17.559 7.329 -10.034 1.00 0.00 H new ATOM 0 HA SER A 5 15.719 8.902 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.619 8.383 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.831 8.276 -10.663 1.00 0.00 H new ATOM 0 HG SER A 5 14.016 6.195 -9.628 1.00 0.00 H new ATOM 66 N ASP A 6 15.976 10.885 -10.131 1.00 0.00 N ATOM 67 CA ASP A 6 16.460 12.059 -9.353 1.00 0.00 C ATOM 68 C ASP A 6 15.331 13.084 -9.222 1.00 0.00 C ATOM 69 O ASP A 6 15.165 13.950 -10.059 1.00 0.00 O ATOM 70 CB ASP A 6 17.645 12.698 -10.080 1.00 0.00 C ATOM 71 CG ASP A 6 18.936 12.398 -9.315 1.00 0.00 C ATOM 72 OD1 ASP A 6 18.881 12.346 -8.099 1.00 0.00 O ATOM 73 OD2 ASP A 6 19.957 12.225 -9.962 1.00 0.00 O ATOM 0 H ASP A 6 15.220 11.082 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 6 16.773 11.734 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.714 12.310 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 6 17.499 13.775 -10.159 1.00 0.00 H new ATOM 78 N GLY A 7 14.552 12.995 -8.179 1.00 0.00 N ATOM 79 CA GLY A 7 13.434 13.965 -8.000 1.00 0.00 C ATOM 80 C GLY A 7 13.020 14.010 -6.529 1.00 0.00 C ATOM 81 O GLY A 7 12.093 14.705 -6.162 1.00 0.00 O ATOM 0 H GLY A 7 14.641 12.294 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.744 14.956 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.585 13.674 -8.618 1.00 0.00 H new ATOM 85 N LEU A 8 13.707 13.280 -5.686 1.00 0.00 N ATOM 86 CA LEU A 8 13.365 13.276 -4.223 1.00 0.00 C ATOM 87 C LEU A 8 11.888 13.628 -4.030 1.00 0.00 C ATOM 88 O LEU A 8 11.558 14.721 -3.614 1.00 0.00 O ATOM 89 CB LEU A 8 14.232 14.309 -3.501 1.00 0.00 C ATOM 90 CG LEU A 8 15.709 14.016 -3.774 1.00 0.00 C ATOM 91 CD1 LEU A 8 16.051 14.396 -5.216 1.00 0.00 C ATOM 92 CD2 LEU A 8 16.574 14.834 -2.814 1.00 0.00 C ATOM 0 H LEU A 8 14.493 12.684 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 8 13.551 12.284 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.980 15.313 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.036 14.278 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 8 15.901 12.953 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.103 14.186 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.434 13.815 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.859 15.458 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.627 14.627 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.380 15.896 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.333 14.563 -1.786 1.00 0.00 H new ATOM 104 N PRO A 9 11.046 12.682 -4.345 1.00 0.00 N ATOM 105 CA PRO A 9 9.595 12.930 -4.196 1.00 0.00 C ATOM 106 C PRO A 9 9.186 12.800 -2.726 1.00 0.00 C ATOM 107 O PRO A 9 8.776 13.756 -2.098 1.00 0.00 O ATOM 108 CB PRO A 9 8.903 11.851 -5.037 1.00 0.00 C ATOM 109 CG PRO A 9 10.004 10.969 -5.664 1.00 0.00 C ATOM 110 CD PRO A 9 11.360 11.526 -5.209 1.00 0.00 C ATOM 0 HA PRO A 9 9.320 13.933 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.238 11.250 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.289 12.307 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.890 9.932 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.931 10.980 -6.751 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.930 10.773 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.966 11.828 -6.063 1.00 0.00 H new ATOM 118 N ASN A 10 9.288 11.622 -2.174 1.00 0.00 N ATOM 119 CA ASN A 10 8.902 11.430 -0.749 1.00 0.00 C ATOM 120 C ASN A 10 10.159 11.364 0.119 1.00 0.00 C ATOM 121 O ASN A 10 10.246 10.581 1.044 1.00 0.00 O ATOM 122 CB ASN A 10 8.118 10.125 -0.608 1.00 0.00 C ATOM 123 CG ASN A 10 9.053 8.940 -0.859 1.00 0.00 C ATOM 124 OD1 ASN A 10 10.226 9.122 -1.114 1.00 0.00 O ATOM 125 ND2 ASN A 10 8.578 7.726 -0.801 1.00 0.00 N ATOM 0 H ASN A 10 9.622 10.784 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 10 8.283 12.266 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.684 10.055 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.291 10.106 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.192 6.929 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.592 7.574 -0.587 1.00 0.00 H new ATOM 132 N LYS A 11 11.137 12.180 -0.170 1.00 0.00 N ATOM 133 CA LYS A 11 12.385 12.158 0.642 1.00 0.00 C ATOM 134 C LYS A 11 12.983 10.749 0.614 1.00 0.00 C ATOM 135 O LYS A 11 12.513 9.851 1.285 1.00 0.00 O ATOM 136 CB LYS A 11 12.059 12.545 2.085 1.00 0.00 C ATOM 137 CG LYS A 11 11.165 13.787 2.091 1.00 0.00 C ATOM 138 CD LYS A 11 11.992 15.014 1.702 1.00 0.00 C ATOM 139 CE LYS A 11 11.315 16.277 2.239 1.00 0.00 C ATOM 140 NZ LYS A 11 11.824 16.567 3.610 1.00 0.00 N ATOM 0 H LYS A 11 11.125 12.859 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 11 13.103 12.867 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.556 11.720 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.978 12.743 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.338 13.656 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.728 13.929 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.001 14.929 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.087 15.073 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.517 17.120 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.234 16.142 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.365 17.425 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.610 15.765 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.853 16.713 3.575 1.00 0.00 H new ATOM 154 N LYS A 12 14.015 10.550 -0.158 1.00 0.00 N ATOM 155 CA LYS A 12 14.642 9.201 -0.235 1.00 0.00 C ATOM 156 C LYS A 12 14.946 8.691 1.177 1.00 0.00 C ATOM 157 O LYS A 12 15.578 9.363 1.968 1.00 0.00 O ATOM 158 CB LYS A 12 15.944 9.292 -1.034 1.00 0.00 C ATOM 159 CG LYS A 12 16.340 7.899 -1.530 1.00 0.00 C ATOM 160 CD LYS A 12 17.686 7.980 -2.254 1.00 0.00 C ATOM 161 CE LYS A 12 17.812 6.808 -3.231 1.00 0.00 C ATOM 162 NZ LYS A 12 17.411 5.546 -2.547 1.00 0.00 N ATOM 0 H LYS A 12 14.452 11.265 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 12 13.956 8.511 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.817 9.968 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.737 9.706 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.408 7.208 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.576 7.510 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.766 8.925 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.502 7.954 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.181 6.978 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.838 6.729 -3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.844 4.735 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.733 5.570 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.376 5.451 -2.572 1.00 0.00 H new ATOM 176 N ARG A 13 14.505 7.505 1.497 1.00 0.00 N ATOM 177 CA ARG A 13 14.772 6.949 2.853 1.00 0.00 C ATOM 178 C ARG A 13 16.011 6.053 2.795 1.00 0.00 C ATOM 179 O ARG A 13 16.015 4.950 3.304 1.00 0.00 O ATOM 180 CB ARG A 13 13.572 6.118 3.315 1.00 0.00 C ATOM 181 CG ARG A 13 12.417 7.046 3.697 1.00 0.00 C ATOM 182 CD ARG A 13 11.290 6.223 4.323 1.00 0.00 C ATOM 183 NE ARG A 13 9.990 6.565 3.670 1.00 0.00 N ATOM 184 CZ ARG A 13 9.681 7.808 3.410 1.00 0.00 C ATOM 185 NH1 ARG A 13 10.468 8.776 3.792 1.00 0.00 N ATOM 186 NH2 ARG A 13 8.569 8.082 2.785 1.00 0.00 N ATOM 0 H ARG A 13 13.971 6.897 0.877 1.00 0.00 H new ATOM 0 HA ARG A 13 14.938 7.767 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.259 5.441 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.852 5.500 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.762 7.804 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.052 7.572 2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.497 5.159 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.233 6.422 5.393 1.00 0.00 H new ATOM 0 HE ARG A 13 9.337 5.821 3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.329 8.564 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.222 9.744 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.944 7.327 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.324 9.051 2.580 1.00 0.00 H new ATOM 200 N LYS A 14 17.062 6.515 2.174 1.00 0.00 N ATOM 201 CA LYS A 14 18.295 5.684 2.081 1.00 0.00 C ATOM 202 C LYS A 14 17.958 4.362 1.391 1.00 0.00 C ATOM 203 O LYS A 14 18.670 3.385 1.517 1.00 0.00 O ATOM 204 CB LYS A 14 18.830 5.403 3.487 1.00 0.00 C ATOM 205 CG LYS A 14 19.818 6.502 3.887 1.00 0.00 C ATOM 206 CD LYS A 14 20.463 6.142 5.227 1.00 0.00 C ATOM 207 CE LYS A 14 20.849 7.424 5.969 1.00 0.00 C ATOM 208 NZ LYS A 14 21.329 8.440 4.990 1.00 0.00 N ATOM 0 H LYS A 14 17.120 7.430 1.728 1.00 0.00 H new ATOM 0 HA LYS A 14 19.053 6.216 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.006 5.363 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.322 4.430 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.585 6.614 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.302 7.459 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.770 5.555 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 21.346 5.524 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.991 7.811 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.628 7.212 6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.923 9.139 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.886 7.971 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.513 8.920 4.559 1.00 0.00 H new ATOM 222 N ARG A 15 16.882 4.330 0.652 1.00 0.00 N ATOM 223 CA ARG A 15 16.487 3.096 -0.056 1.00 0.00 C ATOM 224 C ARG A 15 15.039 3.230 -0.533 1.00 0.00 C ATOM 225 O ARG A 15 14.140 3.480 0.244 1.00 0.00 O ATOM 226 CB ARG A 15 16.613 1.885 0.874 1.00 0.00 C ATOM 227 CG ARG A 15 17.702 0.946 0.352 1.00 0.00 C ATOM 228 CD ARG A 15 17.900 -0.202 1.344 1.00 0.00 C ATOM 229 NE ARG A 15 19.357 -0.395 1.610 1.00 0.00 N ATOM 230 CZ ARG A 15 20.225 -0.362 0.634 1.00 0.00 C ATOM 231 NH1 ARG A 15 19.823 -0.226 -0.599 1.00 0.00 N ATOM 232 NH2 ARG A 15 21.498 -0.489 0.892 1.00 0.00 N ATOM 0 H ARG A 15 16.256 5.123 0.512 1.00 0.00 H new ATOM 0 HA ARG A 15 17.146 2.949 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.856 2.214 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.661 1.357 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.421 0.553 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.636 1.492 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.377 0.015 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.469 -1.120 0.943 1.00 0.00 H new ATOM 0 HE ARG A 15 19.678 -0.554 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.827 -0.145 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.504 -0.201 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 15 21.813 -0.614 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 15 22.177 -0.464 0.132 1.00 0.00 H new ATOM 246 N ARG A 16 14.810 3.068 -1.806 1.00 0.00 N ATOM 247 CA ARG A 16 13.422 3.188 -2.335 1.00 0.00 C ATOM 248 C ARG A 16 12.856 1.790 -2.596 1.00 0.00 C ATOM 249 O ARG A 16 13.572 0.873 -2.947 1.00 0.00 O ATOM 250 CB ARG A 16 13.447 3.994 -3.641 1.00 0.00 C ATOM 251 CG ARG A 16 12.443 3.408 -4.642 1.00 0.00 C ATOM 252 CD ARG A 16 12.116 4.447 -5.716 1.00 0.00 C ATOM 253 NE ARG A 16 12.308 3.850 -7.077 1.00 0.00 N ATOM 254 CZ ARG A 16 13.405 3.208 -7.387 1.00 0.00 C ATOM 255 NH1 ARG A 16 14.407 3.172 -6.553 1.00 0.00 N ATOM 256 NH2 ARG A 16 13.510 2.628 -8.552 1.00 0.00 N ATOM 0 H ARG A 16 15.524 2.858 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 16 12.791 3.699 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.204 5.037 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 16 14.450 3.978 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.857 2.512 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.532 3.108 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.088 4.790 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.758 5.320 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 16 11.570 3.946 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.338 3.646 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.259 2.670 -6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.738 2.676 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.364 2.127 -8.797 1.00 0.00 H new ATOM 270 N VAL A 17 11.572 1.626 -2.437 1.00 0.00 N ATOM 271 CA VAL A 17 10.953 0.295 -2.684 1.00 0.00 C ATOM 272 C VAL A 17 9.440 0.458 -2.835 1.00 0.00 C ATOM 273 O VAL A 17 8.824 1.275 -2.178 1.00 0.00 O ATOM 274 CB VAL A 17 11.243 -0.630 -1.503 1.00 0.00 C ATOM 275 CG1 VAL A 17 10.341 -1.862 -1.589 1.00 0.00 C ATOM 276 CG2 VAL A 17 12.708 -1.068 -1.541 1.00 0.00 C ATOM 0 H VAL A 17 10.924 2.358 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 17 11.369 -0.134 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 17 11.049 -0.099 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.547 -2.523 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.297 -1.551 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.536 -2.391 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 17 12.913 -1.728 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.905 -1.598 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 17 13.352 -0.191 -1.480 1.00 0.00 H new ATOM 286 N LEU A 18 8.836 -0.314 -3.693 1.00 0.00 N ATOM 287 CA LEU A 18 7.363 -0.208 -3.885 1.00 0.00 C ATOM 288 C LEU A 18 6.686 -1.423 -3.246 1.00 0.00 C ATOM 289 O LEU A 18 6.926 -1.747 -2.100 1.00 0.00 O ATOM 290 CB LEU A 18 7.043 -0.163 -5.382 1.00 0.00 C ATOM 291 CG LEU A 18 8.177 0.541 -6.129 1.00 0.00 C ATOM 292 CD1 LEU A 18 7.774 0.749 -7.590 1.00 0.00 C ATOM 293 CD2 LEU A 18 8.453 1.901 -5.484 1.00 0.00 C ATOM 0 H LEU A 18 9.299 -1.015 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 18 6.994 0.704 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.914 -1.175 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.103 0.364 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 18 9.076 -0.074 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.582 1.251 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.578 -0.217 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.874 1.362 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.261 2.400 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.554 2.515 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.741 1.758 -4.442 1.00 0.00 H new ATOM 305 N PHE A 19 5.844 -2.102 -3.976 1.00 0.00 N ATOM 306 CA PHE A 19 5.160 -3.295 -3.404 1.00 0.00 C ATOM 307 C PHE A 19 4.766 -4.247 -4.534 1.00 0.00 C ATOM 308 O PHE A 19 4.694 -3.863 -5.685 1.00 0.00 O ATOM 309 CB PHE A 19 3.895 -2.856 -2.661 1.00 0.00 C ATOM 310 CG PHE A 19 4.262 -1.985 -1.484 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.131 -2.466 -0.496 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.728 -0.695 -1.380 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.463 -1.656 0.597 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.062 0.114 -0.287 1.00 0.00 C ATOM 315 CZ PHE A 19 4.929 -0.367 0.702 1.00 0.00 C ATOM 0 H PHE A 19 5.601 -1.882 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 19 5.836 -3.799 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.238 -2.309 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.343 -3.731 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.544 -3.460 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.059 -0.324 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.132 -2.027 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.651 1.109 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.185 0.257 1.546 1.00 0.00 H new ATOM 325 N THR A 20 4.491 -5.482 -4.216 1.00 0.00 N ATOM 326 CA THR A 20 4.082 -6.443 -5.274 1.00 0.00 C ATOM 327 C THR A 20 2.769 -5.936 -5.902 1.00 0.00 C ATOM 328 O THR A 20 1.815 -5.705 -5.186 1.00 0.00 O ATOM 329 CB THR A 20 3.831 -7.810 -4.636 1.00 0.00 C ATOM 330 OG1 THR A 20 2.703 -7.727 -3.777 1.00 0.00 O ATOM 331 CG2 THR A 20 5.061 -8.231 -3.830 1.00 0.00 C ATOM 0 H THR A 20 4.532 -5.865 -3.271 1.00 0.00 H new ATOM 0 HA THR A 20 4.861 -6.529 -6.032 1.00 0.00 H new ATOM 0 HB THR A 20 3.641 -8.548 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.510 -8.613 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.882 -9.205 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.926 -8.292 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.253 -7.496 -3.049 1.00 0.00 H new ATOM 339 N LYS A 21 2.662 -5.757 -7.210 1.00 0.00 N ATOM 340 CA LYS A 21 1.361 -5.281 -7.746 1.00 0.00 C ATOM 341 C LYS A 21 0.269 -6.124 -7.096 1.00 0.00 C ATOM 342 O LYS A 21 -0.902 -5.820 -7.177 1.00 0.00 O ATOM 343 CB LYS A 21 1.325 -5.448 -9.267 1.00 0.00 C ATOM 344 CG LYS A 21 1.499 -4.080 -9.932 1.00 0.00 C ATOM 345 CD LYS A 21 1.972 -4.269 -11.375 1.00 0.00 C ATOM 346 CE LYS A 21 2.124 -2.903 -12.046 1.00 0.00 C ATOM 347 NZ LYS A 21 0.775 -2.338 -12.330 1.00 0.00 N ATOM 0 H LYS A 21 3.399 -5.917 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 21 1.214 -4.224 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.117 -6.125 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.379 -5.896 -9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.556 -3.534 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.222 -3.483 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.923 -4.801 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.257 -4.879 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.684 -2.228 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.691 -3.001 -12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.865 -1.537 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.174 -3.071 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.342 -2.010 -11.443 1.00 0.00 H new ATOM 361 N ALA A 22 0.670 -7.177 -6.435 1.00 0.00 N ATOM 362 CA ALA A 22 -0.292 -8.066 -5.737 1.00 0.00 C ATOM 363 C ALA A 22 -0.714 -7.395 -4.426 1.00 0.00 C ATOM 364 O ALA A 22 -1.880 -7.169 -4.174 1.00 0.00 O ATOM 365 CB ALA A 22 0.414 -9.387 -5.432 1.00 0.00 C ATOM 0 H ALA A 22 1.646 -7.461 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.172 -8.248 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.275 -10.057 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.742 -9.848 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.279 -9.199 -4.796 1.00 0.00 H new ATOM 371 N GLN A 23 0.235 -7.055 -3.596 1.00 0.00 N ATOM 372 CA GLN A 23 -0.104 -6.369 -2.319 1.00 0.00 C ATOM 373 C GLN A 23 -0.893 -5.117 -2.668 1.00 0.00 C ATOM 374 O GLN A 23 -2.108 -5.095 -2.648 1.00 0.00 O ATOM 375 CB GLN A 23 1.183 -5.943 -1.621 1.00 0.00 C ATOM 376 CG GLN A 23 2.011 -7.181 -1.265 1.00 0.00 C ATOM 377 CD GLN A 23 3.493 -6.915 -1.544 1.00 0.00 C ATOM 378 OE1 GLN A 23 3.849 -5.883 -2.076 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.377 -7.811 -1.202 1.00 0.00 N ATOM 0 H GLN A 23 1.229 -7.223 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.675 -7.032 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.759 -5.283 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.949 -5.378 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.870 -7.434 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.670 -8.037 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.078 -8.678 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.367 -7.645 -1.381 1.00 0.00 H new ATOM 388 N THR A 24 -0.184 -4.080 -3.013 1.00 0.00 N ATOM 389 CA THR A 24 -0.824 -2.810 -3.410 1.00 0.00 C ATOM 390 C THR A 24 -2.168 -3.099 -4.069 1.00 0.00 C ATOM 391 O THR A 24 -3.078 -2.301 -4.003 1.00 0.00 O ATOM 392 CB THR A 24 0.079 -2.133 -4.428 1.00 0.00 C ATOM 393 OG1 THR A 24 1.210 -1.583 -3.768 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.689 -1.028 -5.151 1.00 0.00 C ATOM 0 H THR A 24 0.836 -4.066 -3.035 1.00 0.00 H new ATOM 0 HA THR A 24 -0.977 -2.176 -2.536 1.00 0.00 H new ATOM 0 HB THR A 24 0.412 -2.869 -5.160 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.839 -1.233 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.036 -0.547 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.549 -1.458 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.031 -0.289 -4.427 1.00 0.00 H new ATOM 402 N TYR A 25 -2.307 -4.234 -4.709 1.00 0.00 N ATOM 403 CA TYR A 25 -3.594 -4.543 -5.355 1.00 0.00 C ATOM 404 C TYR A 25 -4.573 -4.961 -4.258 1.00 0.00 C ATOM 405 O TYR A 25 -5.562 -4.302 -4.005 1.00 0.00 O ATOM 406 CB TYR A 25 -3.400 -5.677 -6.361 1.00 0.00 C ATOM 407 CG TYR A 25 -4.609 -6.438 -6.484 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.530 -6.085 -7.432 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.778 -7.518 -5.670 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.664 -6.830 -7.574 1.00 0.00 C ATOM 411 CE2 TYR A 25 -5.904 -8.282 -5.797 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.872 -7.949 -6.755 1.00 0.00 C ATOM 413 OH TYR A 25 -8.012 -8.712 -6.892 1.00 0.00 O ATOM 0 H TYR A 25 -1.584 -4.947 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.982 -3.676 -5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.118 -5.269 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.585 -6.324 -6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.361 -5.224 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.030 -7.767 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.400 -6.558 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.048 -9.142 -5.160 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.992 -9.448 -6.246 1.00 0.00 H new ATOM 423 N GLU A 26 -4.277 -6.032 -3.571 1.00 0.00 N ATOM 424 CA GLU A 26 -5.158 -6.463 -2.456 1.00 0.00 C ATOM 425 C GLU A 26 -5.223 -5.300 -1.479 1.00 0.00 C ATOM 426 O GLU A 26 -6.275 -4.779 -1.161 1.00 0.00 O ATOM 427 CB GLU A 26 -4.527 -7.656 -1.747 1.00 0.00 C ATOM 428 CG GLU A 26 -5.113 -8.968 -2.269 1.00 0.00 C ATOM 429 CD GLU A 26 -6.631 -8.975 -2.075 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.123 -8.102 -1.380 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.274 -9.854 -2.625 1.00 0.00 O ATOM 0 H GLU A 26 -3.463 -6.624 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.146 -6.742 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.448 -7.647 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.697 -7.578 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.872 -9.089 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.666 -9.811 -1.742 1.00 0.00 H new ATOM 438 N LEU A 27 -4.075 -4.876 -1.035 1.00 0.00 N ATOM 439 CA LEU A 27 -3.984 -3.731 -0.113 1.00 0.00 C ATOM 440 C LEU A 27 -4.903 -2.622 -0.629 1.00 0.00 C ATOM 441 O LEU A 27 -5.438 -1.837 0.129 1.00 0.00 O ATOM 442 CB LEU A 27 -2.523 -3.303 -0.113 1.00 0.00 C ATOM 443 CG LEU A 27 -2.320 -1.996 0.645 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.224 -2.284 2.146 1.00 0.00 C ATOM 445 CD2 LEU A 27 -1.018 -1.356 0.155 1.00 0.00 C ATOM 0 H LEU A 27 -3.177 -5.291 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.297 -3.972 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.914 -4.085 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.178 -3.186 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.158 -1.322 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.079 -1.349 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.144 -2.760 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.381 -2.948 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.852 -0.418 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.185 -2.033 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.089 -1.161 -0.915 1.00 0.00 H new ATOM 457 N GLU A 28 -5.122 -2.583 -1.919 1.00 0.00 N ATOM 458 CA GLU A 28 -6.037 -1.565 -2.492 1.00 0.00 C ATOM 459 C GLU A 28 -7.455 -2.133 -2.443 1.00 0.00 C ATOM 460 O GLU A 28 -8.375 -1.502 -1.963 1.00 0.00 O ATOM 461 CB GLU A 28 -5.655 -1.285 -3.944 1.00 0.00 C ATOM 462 CG GLU A 28 -4.659 -0.126 -4.002 1.00 0.00 C ATOM 463 CD GLU A 28 -5.409 1.175 -4.294 1.00 0.00 C ATOM 464 OE1 GLU A 28 -6.552 1.282 -3.882 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.829 2.041 -4.927 1.00 0.00 O ATOM 0 H GLU A 28 -4.702 -3.218 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.972 -0.636 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.217 -2.176 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.545 -1.041 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.123 -0.045 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.914 -0.311 -4.776 1.00 0.00 H new ATOM 472 N ARG A 29 -7.626 -3.337 -2.924 1.00 0.00 N ATOM 473 CA ARG A 29 -8.972 -3.967 -2.893 1.00 0.00 C ATOM 474 C ARG A 29 -9.589 -3.714 -1.518 1.00 0.00 C ATOM 475 O ARG A 29 -10.766 -3.445 -1.388 1.00 0.00 O ATOM 476 CB ARG A 29 -8.830 -5.469 -3.129 1.00 0.00 C ATOM 477 CG ARG A 29 -8.496 -5.723 -4.601 1.00 0.00 C ATOM 478 CD ARG A 29 -9.536 -6.666 -5.208 1.00 0.00 C ATOM 479 NE ARG A 29 -10.902 -6.152 -4.910 1.00 0.00 N ATOM 480 CZ ARG A 29 -11.930 -6.613 -5.568 1.00 0.00 C ATOM 481 NH1 ARG A 29 -11.761 -7.526 -6.484 1.00 0.00 N ATOM 482 NH2 ARG A 29 -13.127 -6.163 -5.308 1.00 0.00 N ATOM 0 H ARG A 29 -6.889 -3.909 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.610 -3.544 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.045 -5.876 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.755 -5.979 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.481 -4.781 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.501 -6.158 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.390 -6.741 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.416 -7.669 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.034 -5.440 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.826 -7.879 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.564 -7.887 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.259 -5.451 -4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.930 -6.524 -5.823 1.00 0.00 H new ATOM 496 N ARG A 30 -8.786 -3.782 -0.494 1.00 0.00 N ATOM 497 CA ARG A 30 -9.295 -3.525 0.880 1.00 0.00 C ATOM 498 C ARG A 30 -9.842 -2.090 0.918 1.00 0.00 C ATOM 499 O ARG A 30 -10.787 -1.781 1.615 1.00 0.00 O ATOM 500 CB ARG A 30 -8.124 -3.673 1.868 1.00 0.00 C ATOM 501 CG ARG A 30 -8.529 -4.480 3.122 1.00 0.00 C ATOM 502 CD ARG A 30 -9.980 -4.189 3.520 1.00 0.00 C ATOM 503 NE ARG A 30 -10.862 -5.291 3.044 1.00 0.00 N ATOM 504 CZ ARG A 30 -12.065 -5.416 3.533 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.488 -4.582 4.443 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.844 -6.373 3.112 1.00 0.00 N ATOM 0 H ARG A 30 -7.793 -4.006 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.083 -4.227 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.290 -4.168 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.775 -2.685 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.409 -5.546 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.865 -4.230 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.057 -4.090 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.302 -3.241 3.090 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.526 -5.946 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.878 -3.833 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.428 -4.679 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.513 -7.024 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.785 -6.471 3.495 1.00 0.00 H new ATOM 520 N PHE A 31 -9.248 -1.212 0.151 1.00 0.00 N ATOM 521 CA PHE A 31 -9.713 0.207 0.118 1.00 0.00 C ATOM 522 C PHE A 31 -11.200 0.264 -0.253 1.00 0.00 C ATOM 523 O PHE A 31 -11.900 1.189 0.103 1.00 0.00 O ATOM 524 CB PHE A 31 -8.902 0.976 -0.928 1.00 0.00 C ATOM 525 CG PHE A 31 -9.104 2.461 -0.742 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.318 3.057 -1.110 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.075 3.245 -0.205 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.501 4.436 -0.939 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.259 4.622 -0.034 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.472 5.218 -0.401 1.00 0.00 C ATOM 0 H PHE A 31 -8.456 -1.419 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.573 0.654 1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.844 0.729 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.211 0.680 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.112 2.454 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.139 2.787 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.436 4.896 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.465 5.225 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.614 6.281 -0.269 1.00 0.00 H new ATOM 540 N ARG A 32 -11.685 -0.712 -0.969 1.00 0.00 N ATOM 541 CA ARG A 32 -13.123 -0.699 -1.363 1.00 0.00 C ATOM 542 C ARG A 32 -14.001 -0.951 -0.135 1.00 0.00 C ATOM 543 O ARG A 32 -14.596 -0.041 0.408 1.00 0.00 O ATOM 544 CB ARG A 32 -13.372 -1.780 -2.410 1.00 0.00 C ATOM 545 CG ARG A 32 -12.880 -1.280 -3.772 1.00 0.00 C ATOM 546 CD ARG A 32 -11.408 -1.657 -3.965 1.00 0.00 C ATOM 547 NE ARG A 32 -10.631 -0.464 -4.422 1.00 0.00 N ATOM 548 CZ ARG A 32 -11.113 0.344 -5.331 1.00 0.00 C ATOM 549 NH1 ARG A 32 -12.250 0.079 -5.915 1.00 0.00 N ATOM 550 NH2 ARG A 32 -10.440 1.409 -5.673 1.00 0.00 N ATOM 0 H ARG A 32 -11.150 -1.516 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.374 0.275 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.851 -2.697 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.434 -2.019 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.483 -1.715 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.999 -0.198 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.995 -2.034 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.322 -2.460 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.713 -0.278 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.769 -0.763 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.620 0.713 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.542 1.608 -5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.812 2.042 -6.381 1.00 0.00 H new ATOM 564 N GLN A 33 -14.087 -2.174 0.312 1.00 0.00 N ATOM 565 CA GLN A 33 -14.928 -2.470 1.507 1.00 0.00 C ATOM 566 C GLN A 33 -14.626 -1.443 2.602 1.00 0.00 C ATOM 567 O GLN A 33 -15.469 -1.115 3.414 1.00 0.00 O ATOM 568 CB GLN A 33 -14.612 -3.878 2.016 1.00 0.00 C ATOM 569 CG GLN A 33 -14.889 -4.895 0.907 1.00 0.00 C ATOM 570 CD GLN A 33 -16.341 -5.369 0.997 1.00 0.00 C ATOM 571 OE1 GLN A 33 -16.937 -5.342 2.055 1.00 0.00 O ATOM 572 NE2 GLN A 33 -16.940 -5.805 -0.077 1.00 0.00 N ATOM 0 H GLN A 33 -13.613 -2.979 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.983 -2.414 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.569 -3.938 2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.220 -4.105 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.702 -4.445 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.212 -5.744 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.440 -5.828 -0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.908 -6.123 -0.028 1.00 0.00 H new ATOM 581 N GLN A 34 -13.427 -0.925 2.622 1.00 0.00 N ATOM 582 CA GLN A 34 -13.061 0.092 3.650 1.00 0.00 C ATOM 583 C GLN A 34 -12.672 1.387 2.938 1.00 0.00 C ATOM 584 O GLN A 34 -11.657 1.458 2.277 1.00 0.00 O ATOM 585 CB GLN A 34 -11.862 -0.404 4.466 1.00 0.00 C ATOM 586 CG GLN A 34 -12.280 -0.687 5.911 1.00 0.00 C ATOM 587 CD GLN A 34 -13.579 -1.496 5.927 1.00 0.00 C ATOM 588 OE1 GLN A 34 -13.635 -2.587 5.397 1.00 0.00 O ATOM 589 NE2 GLN A 34 -14.633 -1.002 6.517 1.00 0.00 N ATOM 0 H GLN A 34 -12.682 -1.164 1.967 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.907 0.261 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.456 -1.309 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.069 0.344 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.492 -1.237 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.418 0.251 6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.586 -0.085 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.504 -1.532 6.533 1.00 0.00 H new ATOM 598 N ARG A 35 -13.461 2.411 3.069 1.00 0.00 N ATOM 599 CA ARG A 35 -13.115 3.692 2.393 1.00 0.00 C ATOM 600 C ARG A 35 -11.683 4.062 2.760 1.00 0.00 C ATOM 601 O ARG A 35 -10.943 4.597 1.959 1.00 0.00 O ATOM 602 CB ARG A 35 -14.059 4.812 2.836 1.00 0.00 C ATOM 603 CG ARG A 35 -14.824 4.398 4.091 1.00 0.00 C ATOM 604 CD ARG A 35 -15.810 5.504 4.450 1.00 0.00 C ATOM 605 NE ARG A 35 -16.871 4.959 5.341 1.00 0.00 N ATOM 606 CZ ARG A 35 -17.649 5.774 5.998 1.00 0.00 C ATOM 607 NH1 ARG A 35 -17.490 7.064 5.877 1.00 0.00 N ATOM 608 NH2 ARG A 35 -18.585 5.301 6.775 1.00 0.00 N ATOM 0 H ARG A 35 -14.325 2.420 3.610 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.214 3.567 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.489 5.720 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.761 5.043 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.354 3.461 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.132 4.226 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.289 6.322 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.257 5.914 3.544 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.989 3.950 5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.758 7.433 5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.097 7.703 6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.709 4.293 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.193 5.939 7.288 1.00 0.00 H new ATOM 622 N TYR A 36 -11.283 3.772 3.967 1.00 0.00 N ATOM 623 CA TYR A 36 -9.891 4.100 4.381 1.00 0.00 C ATOM 624 C TYR A 36 -9.449 3.142 5.485 1.00 0.00 C ATOM 625 O TYR A 36 -9.016 3.567 6.536 1.00 0.00 O ATOM 626 CB TYR A 36 -9.836 5.538 4.904 1.00 0.00 C ATOM 627 CG TYR A 36 -11.158 5.911 5.538 1.00 0.00 C ATOM 628 CD1 TYR A 36 -11.775 5.046 6.451 1.00 0.00 C ATOM 629 CD2 TYR A 36 -11.765 7.131 5.212 1.00 0.00 C ATOM 630 CE1 TYR A 36 -12.996 5.400 7.036 1.00 0.00 C ATOM 631 CE2 TYR A 36 -12.986 7.484 5.798 1.00 0.00 C ATOM 632 CZ TYR A 36 -13.602 6.618 6.709 1.00 0.00 C ATOM 633 OH TYR A 36 -14.805 6.968 7.288 1.00 0.00 O ATOM 0 H TYR A 36 -11.857 3.324 4.681 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.226 4.000 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.033 5.637 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.610 6.222 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.308 4.105 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.291 7.799 4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.471 4.733 7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.453 8.425 5.547 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.087 7.845 6.953 1.00 0.00 H new ATOM 643 N LEU A 37 -9.551 1.854 5.243 1.00 0.00 N ATOM 644 CA LEU A 37 -9.134 0.843 6.289 1.00 0.00 C ATOM 645 C LEU A 37 -9.131 1.503 7.673 1.00 0.00 C ATOM 646 O LEU A 37 -10.017 2.268 7.999 1.00 0.00 O ATOM 647 CB LEU A 37 -7.740 0.290 5.932 1.00 0.00 C ATOM 648 CG LEU A 37 -7.828 -1.232 5.724 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.965 -1.534 4.756 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.522 -1.753 5.109 1.00 0.00 C ATOM 0 H LEU A 37 -9.902 1.454 4.373 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.841 0.014 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.368 0.770 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.032 0.518 6.729 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.001 -1.714 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.035 -2.611 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.903 -1.164 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.771 -1.043 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.592 -2.831 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.354 -1.269 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.691 -1.530 5.778 1.00 0.00 H new ATOM 662 N SER A 38 -8.170 1.210 8.494 1.00 0.00 N ATOM 663 CA SER A 38 -8.141 1.809 9.843 1.00 0.00 C ATOM 664 C SER A 38 -7.223 0.958 10.701 1.00 0.00 C ATOM 665 O SER A 38 -7.236 -0.251 10.615 1.00 0.00 O ATOM 666 CB SER A 38 -9.550 1.817 10.438 1.00 0.00 C ATOM 667 OG SER A 38 -10.130 3.102 10.253 1.00 0.00 O ATOM 0 H SER A 38 -7.399 0.576 8.284 1.00 0.00 H new ATOM 0 HA SER A 38 -7.782 2.837 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.164 1.055 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.511 1.572 11.499 1.00 0.00 H new ATOM 0 HG SER A 38 -10.543 3.150 9.366 1.00 0.00 H new ATOM 673 N ALA A 39 -6.411 1.582 11.499 1.00 0.00 N ATOM 674 CA ALA A 39 -5.464 0.818 12.354 1.00 0.00 C ATOM 675 C ALA A 39 -6.066 -0.553 12.708 1.00 0.00 C ATOM 676 O ALA A 39 -5.347 -1.516 12.882 1.00 0.00 O ATOM 677 CB ALA A 39 -5.166 1.612 13.629 1.00 0.00 C ATOM 0 H ALA A 39 -6.361 2.596 11.598 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.533 0.660 11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.472 1.050 14.254 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.721 2.571 13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.093 1.781 14.177 1.00 0.00 H new ATOM 683 N PRO A 40 -7.376 -0.597 12.784 1.00 0.00 N ATOM 684 CA PRO A 40 -8.028 -1.882 13.098 1.00 0.00 C ATOM 685 C PRO A 40 -8.536 -2.629 11.854 1.00 0.00 C ATOM 686 O PRO A 40 -8.775 -3.818 11.905 1.00 0.00 O ATOM 687 CB PRO A 40 -9.180 -1.580 14.019 1.00 0.00 C ATOM 688 CG PRO A 40 -9.181 -0.088 14.187 1.00 0.00 C ATOM 689 CD PRO A 40 -7.867 0.463 13.666 1.00 0.00 C ATOM 0 HA PRO A 40 -7.293 -2.541 13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.122 -1.928 13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.057 -2.083 14.978 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.017 0.352 13.644 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.310 0.174 15.237 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.010 1.399 13.127 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.168 0.666 14.477 1.00 0.00 H new ATOM 697 N GLU A 41 -8.705 -1.966 10.734 1.00 0.00 N ATOM 698 CA GLU A 41 -9.197 -2.695 9.528 1.00 0.00 C ATOM 699 C GLU A 41 -7.995 -3.263 8.809 1.00 0.00 C ATOM 700 O GLU A 41 -8.028 -4.315 8.202 1.00 0.00 O ATOM 701 CB GLU A 41 -9.934 -1.735 8.598 1.00 0.00 C ATOM 702 CG GLU A 41 -11.407 -1.698 8.969 1.00 0.00 C ATOM 703 CD GLU A 41 -11.561 -1.763 10.489 1.00 0.00 C ATOM 704 OE1 GLU A 41 -10.920 -0.974 11.164 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.319 -2.598 10.953 1.00 0.00 O ATOM 0 H GLU A 41 -8.527 -0.970 10.606 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.884 -3.488 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.504 -0.736 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.817 -2.054 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.865 -0.786 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.929 -2.535 8.505 1.00 0.00 H new ATOM 712 N ARG A 42 -6.936 -2.532 8.880 1.00 0.00 N ATOM 713 CA ARG A 42 -5.685 -2.913 8.233 1.00 0.00 C ATOM 714 C ARG A 42 -5.103 -4.148 8.930 1.00 0.00 C ATOM 715 O ARG A 42 -4.321 -4.884 8.359 1.00 0.00 O ATOM 716 CB ARG A 42 -4.792 -1.689 8.342 1.00 0.00 C ATOM 717 CG ARG A 42 -4.778 -1.196 9.771 1.00 0.00 C ATOM 718 CD ARG A 42 -3.346 -1.123 10.292 1.00 0.00 C ATOM 719 NE ARG A 42 -3.385 -1.189 11.785 1.00 0.00 N ATOM 720 CZ ARG A 42 -2.299 -1.035 12.482 1.00 0.00 C ATOM 721 NH1 ARG A 42 -1.199 -0.661 11.890 1.00 0.00 N ATOM 722 NH2 ARG A 42 -2.319 -1.209 13.775 1.00 0.00 N ATOM 0 H ARG A 42 -6.892 -1.647 9.385 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.804 -3.195 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.780 -1.936 8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.153 -0.903 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.243 -0.212 9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.367 -1.864 10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.754 -1.946 9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.870 -0.199 9.965 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.272 -1.356 12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.194 -0.491 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.344 -0.539 12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.189 -1.467 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.465 -1.087 14.319 1.00 0.00 H new ATOM 736 N GLU A 43 -5.528 -4.417 10.137 1.00 0.00 N ATOM 737 CA GLU A 43 -5.053 -5.645 10.838 1.00 0.00 C ATOM 738 C GLU A 43 -5.682 -6.829 10.104 1.00 0.00 C ATOM 739 O GLU A 43 -5.261 -7.961 10.228 1.00 0.00 O ATOM 740 CB GLU A 43 -5.525 -5.617 12.291 1.00 0.00 C ATOM 741 CG GLU A 43 -4.374 -5.168 13.192 1.00 0.00 C ATOM 742 CD GLU A 43 -3.633 -6.396 13.725 1.00 0.00 C ATOM 743 OE1 GLU A 43 -2.832 -6.946 12.988 1.00 0.00 O ATOM 744 OE2 GLU A 43 -3.879 -6.764 14.863 1.00 0.00 O ATOM 0 H GLU A 43 -6.182 -3.840 10.666 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.965 -5.715 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.370 -4.937 12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.872 -6.606 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.688 -4.531 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.758 -4.574 14.021 1.00 0.00 H new ATOM 751 N HIS A 44 -6.671 -6.547 9.293 1.00 0.00 N ATOM 752 CA HIS A 44 -7.307 -7.617 8.484 1.00 0.00 C ATOM 753 C HIS A 44 -6.407 -7.794 7.268 1.00 0.00 C ATOM 754 O HIS A 44 -5.943 -8.875 6.962 1.00 0.00 O ATOM 755 CB HIS A 44 -8.708 -7.181 8.045 1.00 0.00 C ATOM 756 CG HIS A 44 -9.700 -8.265 8.366 1.00 0.00 C ATOM 757 ND1 HIS A 44 -11.019 -7.987 8.691 1.00 0.00 N ATOM 758 CD2 HIS A 44 -9.582 -9.632 8.413 1.00 0.00 C ATOM 759 CE1 HIS A 44 -11.636 -9.162 8.920 1.00 0.00 C ATOM 760 NE2 HIS A 44 -10.805 -10.196 8.763 1.00 0.00 N ATOM 0 H HIS A 44 -7.063 -5.615 9.160 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.416 -8.544 9.047 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.987 -6.257 8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.716 -6.973 6.975 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.677 -10.186 8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.676 -9.257 9.197 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.021 -11.187 8.876 1.00 0.00 H new ATOM 768 N LEU A 45 -6.104 -6.701 6.617 1.00 0.00 N ATOM 769 CA LEU A 45 -5.169 -6.741 5.464 1.00 0.00 C ATOM 770 C LEU A 45 -3.954 -7.504 5.927 1.00 0.00 C ATOM 771 O LEU A 45 -3.552 -8.504 5.366 1.00 0.00 O ATOM 772 CB LEU A 45 -4.744 -5.291 5.139 1.00 0.00 C ATOM 773 CG LEU A 45 -3.672 -5.240 4.107 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.366 -5.788 4.704 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.230 -6.018 2.910 1.00 0.00 C ATOM 0 H LEU A 45 -6.470 -5.776 6.841 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.622 -7.202 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.610 -4.729 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.394 -4.804 6.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.410 -4.237 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.579 -5.752 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.076 -5.182 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.516 -6.819 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.494 -6.025 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.447 -7.043 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.145 -5.541 2.561 1.00 0.00 H new ATOM 787 N THR A 46 -3.360 -6.983 6.947 1.00 0.00 N ATOM 788 CA THR A 46 -2.138 -7.562 7.530 1.00 0.00 C ATOM 789 C THR A 46 -2.191 -9.086 7.450 1.00 0.00 C ATOM 790 O THR A 46 -1.183 -9.761 7.485 1.00 0.00 O ATOM 791 CB THR A 46 -2.086 -7.041 8.947 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.338 -7.258 9.557 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.776 -5.552 8.875 1.00 0.00 C ATOM 0 H THR A 46 -3.688 -6.141 7.421 1.00 0.00 H new ATOM 0 HA THR A 46 -1.232 -7.278 6.995 1.00 0.00 H new ATOM 0 HB THR A 46 -1.322 -7.550 9.534 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.588 -8.201 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.731 -5.141 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.817 -5.404 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.558 -5.044 8.311 1.00 0.00 H new ATOM 801 N SER A 47 -3.356 -9.628 7.280 1.00 0.00 N ATOM 802 CA SER A 47 -3.467 -11.099 7.117 1.00 0.00 C ATOM 803 C SER A 47 -3.283 -11.387 5.622 1.00 0.00 C ATOM 804 O SER A 47 -2.481 -12.208 5.220 1.00 0.00 O ATOM 805 CB SER A 47 -4.849 -11.571 7.571 1.00 0.00 C ATOM 806 OG SER A 47 -5.792 -11.328 6.535 1.00 0.00 O ATOM 0 H SER A 47 -4.238 -9.118 7.246 1.00 0.00 H new ATOM 0 HA SER A 47 -2.720 -11.620 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.822 -12.634 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.145 -11.046 8.479 1.00 0.00 H new ATOM 0 HG SER A 47 -6.228 -10.463 6.686 1.00 0.00 H new ATOM 812 N LEU A 48 -4.030 -10.692 4.804 1.00 0.00 N ATOM 813 CA LEU A 48 -3.959 -10.853 3.341 1.00 0.00 C ATOM 814 C LEU A 48 -2.524 -10.762 2.817 1.00 0.00 C ATOM 815 O LEU A 48 -1.843 -11.756 2.654 1.00 0.00 O ATOM 816 CB LEU A 48 -4.782 -9.713 2.728 1.00 0.00 C ATOM 817 CG LEU A 48 -6.040 -10.277 2.111 1.00 0.00 C ATOM 818 CD1 LEU A 48 -7.096 -10.496 3.196 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.579 -9.308 1.056 1.00 0.00 C ATOM 0 H LEU A 48 -4.708 -9.996 5.113 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.340 -11.838 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.036 -8.981 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.195 -9.192 1.972 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.808 -11.231 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.001 -10.903 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.714 -11.196 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.326 -9.545 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.486 -9.719 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.805 -8.350 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.830 -9.164 0.278 1.00 0.00 H new ATOM 831 N ILE A 49 -2.084 -9.576 2.494 1.00 0.00 N ATOM 832 CA ILE A 49 -0.715 -9.422 1.910 1.00 0.00 C ATOM 833 C ILE A 49 0.281 -8.951 2.982 1.00 0.00 C ATOM 834 O ILE A 49 1.273 -8.308 2.702 1.00 0.00 O ATOM 835 CB ILE A 49 -0.777 -8.470 0.691 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.619 -6.996 1.098 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.131 -8.640 -0.012 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.483 -6.711 2.302 1.00 0.00 C ATOM 0 H ILE A 49 -2.609 -8.709 2.608 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.353 -10.387 1.556 1.00 0.00 H new ATOM 0 HB ILE A 49 0.048 -8.730 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.425 -6.781 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.904 -6.347 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.181 -7.972 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.240 -9.671 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.935 -8.398 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.371 -5.666 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.526 -6.910 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.177 -7.351 3.129 1.00 0.00 H new ATOM 850 N ARG A 50 0.020 -9.327 4.205 1.00 0.00 N ATOM 851 CA ARG A 50 0.923 -8.993 5.355 1.00 0.00 C ATOM 852 C ARG A 50 1.696 -7.711 5.122 1.00 0.00 C ATOM 853 O ARG A 50 2.815 -7.559 5.571 1.00 0.00 O ATOM 854 CB ARG A 50 1.897 -10.140 5.556 1.00 0.00 C ATOM 855 CG ARG A 50 1.200 -11.431 5.156 1.00 0.00 C ATOM 856 CD ARG A 50 1.527 -12.517 6.179 1.00 0.00 C ATOM 857 NE ARG A 50 2.981 -12.834 6.120 1.00 0.00 N ATOM 858 CZ ARG A 50 3.548 -13.493 7.094 1.00 0.00 C ATOM 859 NH1 ARG A 50 2.842 -13.871 8.124 1.00 0.00 N ATOM 860 NH2 ARG A 50 4.820 -13.775 7.037 1.00 0.00 N ATOM 0 H ARG A 50 -0.805 -9.868 4.466 1.00 0.00 H new ATOM 0 HA ARG A 50 0.305 -8.845 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.792 -9.989 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.218 -10.188 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.122 -11.276 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.525 -11.741 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.258 -12.181 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.940 -13.413 5.975 1.00 0.00 H new ATOM 0 HE ARG A 50 3.535 -12.536 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.847 -13.652 8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.285 -14.386 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.372 -13.481 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.263 -14.290 7.798 1.00 0.00 H new ATOM 874 N LEU A 51 1.106 -6.773 4.471 1.00 0.00 N ATOM 875 CA LEU A 51 1.820 -5.481 4.270 1.00 0.00 C ATOM 876 C LEU A 51 1.905 -4.789 5.627 1.00 0.00 C ATOM 877 O LEU A 51 1.798 -3.591 5.745 1.00 0.00 O ATOM 878 CB LEU A 51 1.090 -4.591 3.261 1.00 0.00 C ATOM 879 CG LEU A 51 1.966 -4.394 2.025 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.212 -3.548 0.998 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.259 -3.681 2.425 1.00 0.00 C ATOM 0 H LEU A 51 0.171 -6.830 4.068 1.00 0.00 H new ATOM 0 HA LEU A 51 2.815 -5.666 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.141 -5.047 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.858 -3.626 3.712 1.00 0.00 H new ATOM 0 HG LEU A 51 2.207 -5.364 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.835 -3.406 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.291 -4.056 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.972 -2.577 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.885 -3.540 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.020 -2.710 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.795 -4.284 3.158 1.00 0.00 H new ATOM 893 N THR A 52 2.102 -5.578 6.644 1.00 0.00 N ATOM 894 CA THR A 52 2.209 -5.083 8.039 1.00 0.00 C ATOM 895 C THR A 52 1.083 -4.107 8.385 1.00 0.00 C ATOM 896 O THR A 52 0.491 -3.501 7.518 1.00 0.00 O ATOM 897 CB THR A 52 3.523 -4.384 8.253 1.00 0.00 C ATOM 898 OG1 THR A 52 3.956 -3.787 7.039 1.00 0.00 O ATOM 899 CG2 THR A 52 4.566 -5.392 8.724 1.00 0.00 C ATOM 0 H THR A 52 2.197 -6.590 6.558 1.00 0.00 H new ATOM 0 HA THR A 52 2.134 -5.956 8.687 1.00 0.00 H new ATOM 0 HB THR A 52 3.397 -3.609 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.920 -3.616 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.518 -4.885 8.879 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.239 -5.843 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.688 -6.169 7.970 1.00 0.00 H new ATOM 907 N PRO A 53 0.826 -3.996 9.672 1.00 0.00 N ATOM 908 CA PRO A 53 -0.251 -3.085 10.118 1.00 0.00 C ATOM 909 C PRO A 53 0.133 -1.621 9.934 1.00 0.00 C ATOM 910 O PRO A 53 -0.225 -1.005 8.949 1.00 0.00 O ATOM 911 CB PRO A 53 -0.478 -3.402 11.599 1.00 0.00 C ATOM 912 CG PRO A 53 0.358 -4.643 11.940 1.00 0.00 C ATOM 913 CD PRO A 53 1.168 -5.014 10.695 1.00 0.00 C ATOM 0 HA PRO A 53 -1.154 -3.234 9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.182 -2.558 12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.534 -3.586 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.021 -4.439 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.288 -5.470 12.237 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.237 -5.010 10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.916 -6.016 10.349 1.00 0.00 H new ATOM 921 N THR A 54 0.838 -1.048 10.871 1.00 0.00 N ATOM 922 CA THR A 54 1.213 0.376 10.728 1.00 0.00 C ATOM 923 C THR A 54 1.525 0.648 9.261 1.00 0.00 C ATOM 924 O THR A 54 0.966 1.535 8.649 1.00 0.00 O ATOM 925 CB THR A 54 2.430 0.666 11.596 1.00 0.00 C ATOM 926 OG1 THR A 54 2.075 0.529 12.965 1.00 0.00 O ATOM 927 CG2 THR A 54 2.908 2.088 11.327 1.00 0.00 C ATOM 0 H THR A 54 1.166 -1.505 11.722 1.00 0.00 H new ATOM 0 HA THR A 54 0.396 1.022 11.050 1.00 0.00 H new ATOM 0 HB THR A 54 3.229 -0.036 11.360 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.857 0.713 13.526 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.780 2.302 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.176 2.189 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.111 2.791 11.567 1.00 0.00 H new ATOM 935 N GLN A 55 2.390 -0.137 8.683 1.00 0.00 N ATOM 936 CA GLN A 55 2.714 0.047 7.246 1.00 0.00 C ATOM 937 C GLN A 55 1.409 0.262 6.479 1.00 0.00 C ATOM 938 O GLN A 55 1.186 1.296 5.880 1.00 0.00 O ATOM 939 CB GLN A 55 3.399 -1.215 6.728 1.00 0.00 C ATOM 940 CG GLN A 55 3.695 -1.065 5.234 1.00 0.00 C ATOM 941 CD GLN A 55 4.634 0.123 5.014 1.00 0.00 C ATOM 942 OE1 GLN A 55 4.291 1.063 4.327 1.00 0.00 O ATOM 943 NE2 GLN A 55 5.813 0.119 5.574 1.00 0.00 N ATOM 0 H GLN A 55 2.886 -0.898 9.146 1.00 0.00 H new ATOM 0 HA GLN A 55 3.373 0.904 7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.325 -1.389 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.761 -2.082 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.151 -1.978 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.767 -0.915 4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.101 -0.671 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.447 0.906 5.434 1.00 0.00 H new ATOM 952 N VAL A 56 0.541 -0.713 6.505 1.00 0.00 N ATOM 953 CA VAL A 56 -0.758 -0.579 5.792 1.00 0.00 C ATOM 954 C VAL A 56 -1.354 0.797 6.084 1.00 0.00 C ATOM 955 O VAL A 56 -1.641 1.564 5.188 1.00 0.00 O ATOM 956 CB VAL A 56 -1.723 -1.661 6.287 1.00 0.00 C ATOM 957 CG1 VAL A 56 -3.138 -1.356 5.800 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.292 -3.023 5.755 1.00 0.00 C ATOM 0 H VAL A 56 0.678 -1.599 6.992 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.599 -0.692 4.720 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.708 -1.675 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.820 -2.129 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.455 -0.387 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.151 -1.334 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.982 -3.788 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.299 -3.007 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.286 -3.250 6.108 1.00 0.00 H new ATOM 968 N LYS A 57 -1.543 1.113 7.335 1.00 0.00 N ATOM 969 CA LYS A 57 -2.129 2.431 7.697 1.00 0.00 C ATOM 970 C LYS A 57 -1.343 3.560 7.027 1.00 0.00 C ATOM 971 O LYS A 57 -1.912 4.495 6.502 1.00 0.00 O ATOM 972 CB LYS A 57 -2.077 2.596 9.214 1.00 0.00 C ATOM 973 CG LYS A 57 -2.444 4.028 9.599 1.00 0.00 C ATOM 974 CD LYS A 57 -2.726 4.090 11.103 1.00 0.00 C ATOM 975 CE LYS A 57 -1.710 3.224 11.854 1.00 0.00 C ATOM 976 NZ LYS A 57 -1.885 3.414 13.323 1.00 0.00 N ATOM 0 H LYS A 57 -1.315 0.510 8.126 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.163 2.475 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.765 1.896 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.078 2.357 9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.630 4.706 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.320 4.354 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.668 5.121 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.738 3.741 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.847 2.175 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.696 3.496 11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.979 3.247 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.204 4.386 13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.595 2.742 13.678 1.00 0.00 H new ATOM 990 N ILE A 58 -0.038 3.490 7.046 1.00 0.00 N ATOM 991 CA ILE A 58 0.772 4.572 6.415 1.00 0.00 C ATOM 992 C ILE A 58 0.554 4.580 4.896 1.00 0.00 C ATOM 993 O ILE A 58 0.466 5.625 4.283 1.00 0.00 O ATOM 994 CB ILE A 58 2.261 4.349 6.709 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.495 4.223 8.223 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.071 5.529 6.168 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.499 5.097 8.989 1.00 0.00 C ATOM 0 H ILE A 58 0.500 2.734 7.469 1.00 0.00 H new ATOM 0 HA ILE A 58 0.456 5.529 6.830 1.00 0.00 H new ATOM 0 HB ILE A 58 2.580 3.427 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.387 3.183 8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.514 4.523 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.129 5.370 6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.922 5.609 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.740 6.449 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.676 4.998 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.628 6.139 8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.483 4.778 8.759 1.00 0.00 H new ATOM 1009 N TRP A 59 0.473 3.430 4.278 1.00 0.00 N ATOM 1010 CA TRP A 59 0.272 3.397 2.798 1.00 0.00 C ATOM 1011 C TRP A 59 -1.005 4.161 2.426 1.00 0.00 C ATOM 1012 O TRP A 59 -1.045 4.869 1.440 1.00 0.00 O ATOM 1013 CB TRP A 59 0.161 1.945 2.324 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.265 1.921 0.888 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.570 1.967 -0.176 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.613 1.847 0.344 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.183 1.926 -1.338 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.535 1.852 -1.067 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.882 1.776 0.938 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.681 1.790 -1.863 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -4.039 1.714 0.144 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.938 1.721 -1.254 1.00 0.00 C ATOM 0 H TRP A 59 0.537 2.518 4.730 1.00 0.00 H new ATOM 0 HA TRP A 59 1.125 3.871 2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.120 1.439 2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.560 1.405 2.938 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.647 2.026 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.212 1.948 -2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.970 1.769 2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.597 1.795 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.011 1.661 0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.830 1.673 -1.860 1.00 0.00 H new ATOM 1033 N PHE A 60 -2.049 4.024 3.200 1.00 0.00 N ATOM 1034 CA PHE A 60 -3.314 4.747 2.871 1.00 0.00 C ATOM 1035 C PHE A 60 -3.052 6.253 2.829 1.00 0.00 C ATOM 1036 O PHE A 60 -3.251 6.899 1.820 1.00 0.00 O ATOM 1037 CB PHE A 60 -4.377 4.443 3.930 1.00 0.00 C ATOM 1038 CG PHE A 60 -5.122 3.194 3.533 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.563 1.942 3.800 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.359 3.286 2.888 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.238 0.778 3.422 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.039 2.122 2.510 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.477 0.867 2.776 1.00 0.00 C ATOM 0 H PHE A 60 -2.082 3.447 4.040 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.671 4.414 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.909 4.308 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.068 5.281 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.608 1.873 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.790 4.255 2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.804 -0.189 3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.996 2.192 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.999 -0.032 2.483 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.608 6.819 3.917 1.00 0.00 N ATOM 1054 CA GLN A 61 -2.336 8.284 3.934 1.00 0.00 C ATOM 1055 C GLN A 61 -1.738 8.705 2.589 1.00 0.00 C ATOM 1056 O GLN A 61 -2.096 9.723 2.029 1.00 0.00 O ATOM 1057 CB GLN A 61 -1.346 8.604 5.056 1.00 0.00 C ATOM 1058 CG GLN A 61 -1.166 10.120 5.161 1.00 0.00 C ATOM 1059 CD GLN A 61 -0.116 10.435 6.227 1.00 0.00 C ATOM 1060 OE1 GLN A 61 -0.056 9.783 7.251 1.00 0.00 O ATOM 1061 NE2 GLN A 61 0.721 11.417 6.031 1.00 0.00 N ATOM 0 H GLN A 61 -2.422 6.332 4.794 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.266 8.827 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.711 8.204 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.387 8.126 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.857 10.528 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.114 10.593 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.672 11.965 5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.424 11.636 6.737 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.826 7.931 2.068 1.00 0.00 N ATOM 1071 CA ASN A 62 -0.200 8.284 0.762 1.00 0.00 C ATOM 1072 C ASN A 62 -1.264 8.292 -0.339 1.00 0.00 C ATOM 1073 O ASN A 62 -1.322 9.193 -1.152 1.00 0.00 O ATOM 1074 CB ASN A 62 0.876 7.252 0.417 1.00 0.00 C ATOM 1075 CG ASN A 62 1.520 7.613 -0.922 1.00 0.00 C ATOM 1076 OD1 ASN A 62 2.129 8.657 -1.055 1.00 0.00 O ATOM 1077 ND2 ASN A 62 1.411 6.789 -1.928 1.00 0.00 N ATOM 0 H ASN A 62 -0.486 7.067 2.491 1.00 0.00 H new ATOM 0 HA ASN A 62 0.250 9.274 0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.633 7.225 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.436 6.256 0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.837 7.021 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.900 5.913 -1.817 1.00 0.00 H new ATOM 1084 N HIS A 63 -2.101 7.292 -0.376 1.00 0.00 N ATOM 1085 CA HIS A 63 -3.153 7.239 -1.432 1.00 0.00 C ATOM 1086 C HIS A 63 -4.246 8.268 -1.129 1.00 0.00 C ATOM 1087 O HIS A 63 -4.613 9.059 -1.975 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.767 5.839 -1.462 1.00 0.00 C ATOM 1089 CG HIS A 63 -3.095 5.023 -2.531 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -1.725 5.058 -2.734 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -3.590 4.146 -3.465 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -1.445 4.226 -3.754 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -2.546 3.644 -4.236 1.00 0.00 N ATOM 0 H HIS A 63 -2.103 6.510 0.278 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.705 7.466 -2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.648 5.357 -0.492 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.838 5.903 -1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.631 3.886 -3.583 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.450 4.050 -4.136 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.608 2.976 -5.004 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.773 8.257 0.067 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.847 9.229 0.426 1.00 0.00 C ATOM 1103 C ARG A 64 -5.621 10.541 -0.328 1.00 0.00 C ATOM 1104 O ARG A 64 -6.498 11.037 -1.005 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.815 9.471 1.945 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.298 10.891 2.289 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.753 11.072 1.848 1.00 0.00 C ATOM 1108 NE ARG A 64 -8.658 10.744 2.986 1.00 0.00 N ATOM 1109 CZ ARG A 64 -9.915 11.095 2.946 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -10.384 11.725 1.903 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -10.703 10.817 3.948 1.00 0.00 N ATOM 0 H ARG A 64 -4.505 7.615 0.813 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.822 8.830 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.446 8.737 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.801 9.328 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.211 11.064 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.665 11.629 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.920 12.098 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.970 10.425 0.998 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.295 10.244 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.768 11.943 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.366 11.999 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.337 10.325 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.685 11.092 3.916 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.452 11.109 -0.210 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.163 12.397 -0.915 1.00 0.00 C ATOM 1127 C TYR A 65 -4.096 12.173 -2.434 1.00 0.00 C ATOM 1128 O TYR A 65 -4.606 12.965 -3.202 1.00 0.00 O ATOM 1129 CB TYR A 65 -2.826 12.959 -0.417 1.00 0.00 C ATOM 1130 CG TYR A 65 -2.180 13.780 -1.508 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -2.475 15.143 -1.631 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -1.285 13.174 -2.398 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -1.875 15.900 -2.645 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -0.685 13.930 -3.411 1.00 0.00 C ATOM 1135 CZ TYR A 65 -0.981 15.293 -3.534 1.00 0.00 C ATOM 1136 OH TYR A 65 -0.388 16.039 -4.533 1.00 0.00 O ATOM 0 H TYR A 65 -3.681 10.738 0.345 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.963 13.106 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.987 13.575 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.165 12.144 -0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.165 15.611 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.058 12.123 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.102 16.951 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.006 13.463 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 65 0.206 15.465 -5.061 1.00 0.00 H new ATOM 1146 N LYS A 66 -3.460 11.123 -2.883 1.00 0.00 N ATOM 1147 CA LYS A 66 -3.371 10.890 -4.351 1.00 0.00 C ATOM 1148 C LYS A 66 -4.684 10.293 -4.865 1.00 0.00 C ATOM 1149 O LYS A 66 -5.191 10.696 -5.894 1.00 0.00 O ATOM 1150 CB LYS A 66 -2.220 9.929 -4.649 1.00 0.00 C ATOM 1151 CG LYS A 66 -2.348 9.409 -6.083 1.00 0.00 C ATOM 1152 CD LYS A 66 -3.057 8.051 -6.086 1.00 0.00 C ATOM 1153 CE LYS A 66 -2.015 6.934 -6.163 1.00 0.00 C ATOM 1154 NZ LYS A 66 -1.278 7.031 -7.456 1.00 0.00 N ATOM 0 H LYS A 66 -3.002 10.422 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.190 11.840 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.265 10.437 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.236 9.096 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.907 10.122 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.360 9.314 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.659 7.941 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.739 7.986 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.319 7.013 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.501 5.962 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.031 6.077 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.879 7.499 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.409 7.586 -7.319 1.00 0.00 H new ATOM 1168 N THR A 67 -5.247 9.343 -4.167 1.00 0.00 N ATOM 1169 CA THR A 67 -6.527 8.750 -4.643 1.00 0.00 C ATOM 1170 C THR A 67 -7.445 9.880 -5.102 1.00 0.00 C ATOM 1171 O THR A 67 -8.434 9.665 -5.777 1.00 0.00 O ATOM 1172 CB THR A 67 -7.191 7.971 -3.506 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.795 8.527 -2.260 1.00 0.00 O ATOM 1174 CG2 THR A 67 -6.758 6.507 -3.575 1.00 0.00 C ATOM 0 H THR A 67 -4.880 8.956 -3.297 1.00 0.00 H new ATOM 0 HA THR A 67 -6.336 8.067 -5.471 1.00 0.00 H new ATOM 0 HB THR A 67 -8.275 8.033 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.030 9.124 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.230 5.950 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.061 6.083 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.674 6.443 -3.476 1.00 0.00 H new ATOM 1182 N LYS A 68 -7.110 11.089 -4.750 1.00 0.00 N ATOM 1183 CA LYS A 68 -7.935 12.254 -5.169 1.00 0.00 C ATOM 1184 C LYS A 68 -7.455 12.717 -6.544 1.00 0.00 C ATOM 1185 O LYS A 68 -8.232 13.115 -7.389 1.00 0.00 O ATOM 1186 CB LYS A 68 -7.768 13.393 -4.159 1.00 0.00 C ATOM 1187 CG LYS A 68 -7.436 12.817 -2.783 1.00 0.00 C ATOM 1188 CD LYS A 68 -7.113 13.960 -1.818 1.00 0.00 C ATOM 1189 CE LYS A 68 -8.168 15.061 -1.956 1.00 0.00 C ATOM 1190 NZ LYS A 68 -8.093 15.972 -0.780 1.00 0.00 N ATOM 0 H LYS A 68 -6.293 11.321 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.987 11.970 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.974 14.066 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.684 13.982 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.278 12.236 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.587 12.137 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.091 13.589 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.123 14.362 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.004 15.623 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.162 14.620 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.810 16.720 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.269 15.431 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.147 16.403 -0.734 1.00 0.00 H new ATOM 1204 N ARG A 69 -6.171 12.662 -6.768 1.00 0.00 N ATOM 1205 CA ARG A 69 -5.618 13.088 -8.080 1.00 0.00 C ATOM 1206 C ARG A 69 -5.992 12.055 -9.141 1.00 0.00 C ATOM 1207 O ARG A 69 -6.096 12.359 -10.313 1.00 0.00 O ATOM 1208 CB ARG A 69 -4.095 13.189 -7.970 1.00 0.00 C ATOM 1209 CG ARG A 69 -3.732 14.338 -7.031 1.00 0.00 C ATOM 1210 CD ARG A 69 -2.582 15.145 -7.634 1.00 0.00 C ATOM 1211 NE ARG A 69 -2.144 16.199 -6.663 1.00 0.00 N ATOM 1212 CZ ARG A 69 -2.997 17.045 -6.148 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -4.215 17.121 -6.611 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -2.611 17.858 -5.204 1.00 0.00 N ATOM 0 H ARG A 69 -5.479 12.338 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.027 14.058 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.683 12.253 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.658 13.357 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.598 14.981 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.444 13.947 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.747 14.486 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.900 15.607 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.161 16.257 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.507 16.518 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.875 17.784 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.647 17.832 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.273 18.520 -4.799 1.00 0.00 H new ATOM 1228 N ALA A 70 -6.198 10.832 -8.735 1.00 0.00 N ATOM 1229 CA ALA A 70 -6.569 9.773 -9.711 1.00 0.00 C ATOM 1230 C ALA A 70 -8.006 10.002 -10.183 1.00 0.00 C ATOM 1231 O ALA A 70 -8.321 9.843 -11.345 1.00 0.00 O ATOM 1232 CB ALA A 70 -6.468 8.403 -9.036 1.00 0.00 C ATOM 0 H ALA A 70 -6.125 10.521 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.893 9.809 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.740 7.625 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.446 8.241 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.146 8.366 -8.184 1.00 0.00 H new ATOM 1238 N GLN A 71 -8.882 10.376 -9.289 1.00 0.00 N ATOM 1239 CA GLN A 71 -10.297 10.614 -9.688 1.00 0.00 C ATOM 1240 C GLN A 71 -10.347 11.701 -10.763 1.00 0.00 C ATOM 1241 O GLN A 71 -11.230 11.723 -11.597 1.00 0.00 O ATOM 1242 CB GLN A 71 -11.104 11.066 -8.468 1.00 0.00 C ATOM 1243 CG GLN A 71 -11.447 9.850 -7.606 1.00 0.00 C ATOM 1244 CD GLN A 71 -11.707 10.302 -6.167 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -11.030 11.174 -5.661 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -12.668 9.743 -5.484 1.00 0.00 N ATOM 0 H GLN A 71 -8.678 10.527 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.723 9.691 -10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.531 11.788 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.017 11.568 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.327 9.345 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.628 9.131 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.237 9.011 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.851 10.038 -4.525 1.00 0.00 H new ATOM 1255 N ASN A 72 -9.406 12.604 -10.750 1.00 0.00 N ATOM 1256 CA ASN A 72 -9.400 13.688 -11.773 1.00 0.00 C ATOM 1257 C ASN A 72 -9.169 13.082 -13.159 1.00 0.00 C ATOM 1258 O ASN A 72 -9.786 13.471 -14.129 1.00 0.00 O ATOM 1259 CB ASN A 72 -8.278 14.678 -11.455 1.00 0.00 C ATOM 1260 CG ASN A 72 -8.185 15.721 -12.570 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -8.934 15.676 -13.525 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -7.290 16.666 -12.487 1.00 0.00 N ATOM 0 H ASN A 72 -8.641 12.639 -10.076 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.359 14.206 -11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.470 15.167 -10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.330 14.150 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.219 17.367 -13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.661 16.704 -11.685 1.00 0.00 H new ATOM 1269 N GLU A 73 -8.302 12.109 -13.253 1.00 0.00 N ATOM 1270 CA GLU A 73 -8.055 11.454 -14.565 1.00 0.00 C ATOM 1271 C GLU A 73 -9.074 10.341 -14.698 1.00 0.00 C ATOM 1272 O GLU A 73 -8.842 9.327 -15.326 1.00 0.00 O ATOM 1273 CB GLU A 73 -6.639 10.874 -14.600 1.00 0.00 C ATOM 1274 CG GLU A 73 -5.624 12.016 -14.701 1.00 0.00 C ATOM 1275 CD GLU A 73 -4.204 11.447 -14.632 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -3.947 10.656 -13.739 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -3.399 11.815 -15.471 1.00 0.00 O ATOM 0 H GLU A 73 -7.755 11.741 -12.475 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.147 12.168 -15.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.453 10.286 -13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.531 10.200 -15.450 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.764 12.559 -15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.781 12.729 -13.891 1.00 0.00 H new ATOM 1284 N LYS A 74 -10.186 10.507 -14.049 1.00 0.00 N ATOM 1285 CA LYS A 74 -11.217 9.451 -14.060 1.00 0.00 C ATOM 1286 C LYS A 74 -12.612 10.084 -14.055 1.00 0.00 C ATOM 1287 O LYS A 74 -13.524 9.593 -13.420 1.00 0.00 O ATOM 1288 CB LYS A 74 -11.011 8.628 -12.790 1.00 0.00 C ATOM 1289 CG LYS A 74 -10.708 7.161 -13.129 1.00 0.00 C ATOM 1290 CD LYS A 74 -9.668 6.631 -12.147 1.00 0.00 C ATOM 1291 CE LYS A 74 -9.406 5.150 -12.425 1.00 0.00 C ATOM 1292 NZ LYS A 74 -9.505 4.893 -13.889 1.00 0.00 N ATOM 0 H LYS A 74 -10.424 11.338 -13.507 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.135 8.827 -14.950 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.190 9.048 -12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.904 8.684 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.619 6.565 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.338 7.079 -14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.742 7.198 -12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.019 6.762 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.417 4.871 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.128 4.535 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.056 3.982 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.506 4.863 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.022 5.654 -14.408 1.00 0.00 H new ATOM 1306 N GLY A 75 -12.783 11.170 -14.758 1.00 0.00 N ATOM 1307 CA GLY A 75 -14.118 11.831 -14.792 1.00 0.00 C ATOM 1308 C GLY A 75 -15.080 10.998 -15.641 1.00 0.00 C ATOM 1309 O GLY A 75 -14.692 10.035 -16.272 1.00 0.00 O ATOM 0 H GLY A 75 -12.057 11.627 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.509 11.937 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.028 12.835 -15.206 1.00 0.00 H new ATOM 1313 N TYR A 76 -16.335 11.360 -15.661 1.00 0.00 N ATOM 1314 CA TYR A 76 -17.319 10.588 -16.470 1.00 0.00 C ATOM 1315 C TYR A 76 -16.701 10.236 -17.825 1.00 0.00 C ATOM 1316 O TYR A 76 -16.721 11.023 -18.751 1.00 0.00 O ATOM 1317 CB TYR A 76 -18.577 11.433 -16.685 1.00 0.00 C ATOM 1318 CG TYR A 76 -19.603 11.074 -15.637 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -20.108 9.771 -15.570 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -20.051 12.046 -14.733 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -21.059 9.437 -14.599 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -21.002 11.711 -13.761 1.00 0.00 C ATOM 1323 CZ TYR A 76 -21.506 10.407 -13.694 1.00 0.00 C ATOM 1324 OH TYR A 76 -22.445 10.079 -12.738 1.00 0.00 O ATOM 0 H TYR A 76 -16.720 12.156 -15.152 1.00 0.00 H new ATOM 0 HA TYR A 76 -17.584 9.671 -15.943 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.332 12.493 -16.623 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.981 11.257 -17.682 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -19.764 9.022 -16.268 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.663 13.053 -14.786 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.448 8.431 -14.548 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.347 12.459 -13.063 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.644 10.867 -12.191 1.00 0.00 H new ATOM 1334 N GLU A 77 -16.145 9.061 -17.945 1.00 0.00 N ATOM 1335 CA GLU A 77 -15.522 8.661 -19.238 1.00 0.00 C ATOM 1336 C GLU A 77 -16.615 8.377 -20.271 1.00 0.00 C ATOM 1337 O GLU A 77 -16.872 9.175 -21.150 1.00 0.00 O ATOM 1338 CB GLU A 77 -14.680 7.399 -19.026 1.00 0.00 C ATOM 1339 CG GLU A 77 -13.848 7.124 -20.280 1.00 0.00 C ATOM 1340 CD GLU A 77 -14.610 6.165 -21.197 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -15.572 6.600 -21.807 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -14.216 5.012 -21.272 1.00 0.00 O ATOM 0 H GLU A 77 -16.095 8.362 -17.204 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.886 9.469 -19.599 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.026 7.526 -18.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.328 6.549 -18.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.640 8.057 -20.804 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.886 6.693 -20.004 1.00 0.00 H new ATOM 1349 N GLY A 78 -17.260 7.247 -20.173 1.00 0.00 N ATOM 1350 CA GLY A 78 -18.334 6.914 -21.152 1.00 0.00 C ATOM 1351 C GLY A 78 -19.647 7.562 -20.710 1.00 0.00 C ATOM 1352 O GLY A 78 -19.747 8.114 -19.633 1.00 0.00 O ATOM 0 H GLY A 78 -17.090 6.540 -19.458 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.058 7.268 -22.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -18.455 5.833 -21.221 1.00 0.00 H new ATOM 1356 N HIS A 79 -20.657 7.498 -21.536 1.00 0.00 N ATOM 1357 CA HIS A 79 -21.964 8.108 -21.164 1.00 0.00 C ATOM 1358 C HIS A 79 -21.721 9.435 -20.437 1.00 0.00 C ATOM 1359 O HIS A 79 -21.484 9.455 -19.246 1.00 0.00 O ATOM 1360 CB HIS A 79 -22.728 7.155 -20.244 1.00 0.00 C ATOM 1361 CG HIS A 79 -23.699 6.346 -21.059 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -24.830 6.906 -21.630 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -23.722 5.018 -21.407 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -25.481 5.927 -22.286 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -24.848 4.755 -22.181 1.00 0.00 N ATOM 0 H HIS A 79 -20.632 7.050 -22.452 1.00 0.00 H new ATOM 0 HA HIS A 79 -22.549 8.290 -22.065 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -22.032 6.495 -19.727 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -23.260 7.719 -19.479 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -22.979 4.288 -21.123 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -26.402 6.071 -22.831 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -25.130 3.860 -22.582 1.00 0.00 H new ATOM 1373 N PRO A 80 -21.789 10.502 -21.185 1.00 0.00 N ATOM 1374 CA PRO A 80 -21.566 11.826 -20.565 1.00 0.00 C ATOM 1375 C PRO A 80 -22.782 12.223 -19.724 1.00 0.00 C ATOM 1376 O PRO A 80 -23.106 13.399 -19.705 1.00 0.00 O ATOM 1377 CB PRO A 80 -21.380 12.804 -21.731 1.00 0.00 C ATOM 1378 CG PRO A 80 -21.491 11.995 -23.041 1.00 0.00 C ATOM 1379 CD PRO A 80 -21.769 10.534 -22.664 1.00 0.00 C ATOM 1380 OXT PRO A 80 -23.368 11.344 -19.114 1.00 0.00 O ATOM 0 HA PRO A 80 -20.700 11.824 -19.903 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -22.138 13.587 -21.699 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -20.410 13.297 -21.666 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -22.293 12.388 -23.666 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.569 12.073 -23.618 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -22.720 10.197 -23.076 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -20.998 9.873 -23.060 1.00 0.00 H new TER 1388 PRO A 80