USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -159:sc= -0.82! USER MOD Set 1.2: A 103 ASN : amide:sc= -5.97! C(o=-6.8!,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc=-0.00922 (180deg=-0.154) USER MOD Single : A 12 GLN : amide:sc= -4.52! K(o=-4.5!,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -5.37! (180deg=-6.17!) USER MOD Single : A 16 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.43) USER MOD Single : A 18 HIS : no HE2:sc= -14.1! C(o=-14!,f=-17!) USER MOD Single : A 19 THR OG1 : rot -125:sc= -4.37! USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -3.69! (180deg=-8.31!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.15 K(o=0.15,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0934 (180deg=-0.763) USER MOD Single : A 28 THR OG1 : rot 91:sc= 0.0623 USER MOD Single : A 31 ASN : amide:sc= -6.06! C(o=-6.1!,f=-13!) USER MOD Single : A 33 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.23) USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -4.67! (180deg=-8.5!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -4.26! USER MOD Single : A 42 GLN : amide:sc= -15.1! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 52 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.95) USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -3.47! (180deg=-8.73!) USER MOD Single : A 54 ASN : amide:sc= -8.54! C(o=-8.5!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 47:sc= 0.137! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 172:sc= -6.62! (180deg=-7.05!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0317 (180deg=-0.0317) USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= -0.474 (180deg=-1.3) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.41 USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.143) USER MOD Single : A 80 MET CE :methyl 150:sc= -0.854! (180deg=-2.58!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.218 (180deg=-0.86) USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= -5.09! (180deg=-8.71!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= -10.5! (180deg=-13.6!) USER MOD Single : A 100 LYS NZ :NH3+ 133:sc= -3.57! (180deg=-6.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.514 4.384 -1.225 1.00 0.00 N ATOM 2 CA GLY A 1 -17.136 4.409 -0.658 1.00 0.00 C ATOM 3 C GLY A 1 -16.616 5.819 -0.459 1.00 0.00 C ATOM 4 O GLY A 1 -16.492 6.583 -1.415 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.823 3.398 -1.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.164 4.877 -0.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.518 4.860 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.130 3.885 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.463 3.867 -1.323 1.00 0.00 H new ATOM 10 N ASP A 2 -16.261 6.058 0.823 1.00 0.00 N ATOM 11 CA ASP A 2 -15.751 7.386 1.144 1.00 0.00 C ATOM 12 C ASP A 2 -14.315 7.308 1.649 1.00 0.00 C ATOM 13 O ASP A 2 -13.869 6.264 2.126 1.00 0.00 O ATOM 14 CB ASP A 2 -16.638 8.053 2.197 1.00 0.00 C ATOM 15 CG ASP A 2 -18.116 7.851 1.921 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.460 7.463 0.784 1.00 0.00 O ATOM 17 OD2 ASP A 2 -18.935 8.051 2.897 1.00 0.00 O ATOM 0 H ASP A 2 -16.315 5.394 1.595 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.765 7.985 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.396 7.649 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.420 9.120 2.228 1.00 0.00 H new ATOM 22 N VAL A 3 -13.594 8.419 1.540 1.00 0.00 N ATOM 23 CA VAL A 3 -12.206 8.478 1.986 1.00 0.00 C ATOM 24 C VAL A 3 -12.108 8.217 3.543 1.00 0.00 C ATOM 25 O VAL A 3 -11.214 7.512 4.010 1.00 0.00 O ATOM 26 CB VAL A 3 -11.562 9.833 1.644 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.528 10.213 2.692 1.00 0.00 C ATOM 28 CG2 VAL A 3 -10.938 9.792 0.257 1.00 0.00 C ATOM 0 H VAL A 3 -13.948 9.291 1.147 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.661 7.696 1.457 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.341 10.596 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.084 11.174 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.009 10.287 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.749 9.451 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.487 10.759 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.171 9.018 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.708 9.570 -0.482 1.00 0.00 H new ATOM 38 N GLU A 4 -13.028 8.813 4.295 1.00 0.00 N ATOM 39 CA GLU A 4 -13.039 8.668 5.747 1.00 0.00 C ATOM 40 C GLU A 4 -13.170 7.201 6.143 1.00 0.00 C ATOM 41 O GLU A 4 -12.445 6.716 7.013 1.00 0.00 O ATOM 42 CB GLU A 4 -14.186 9.478 6.354 1.00 0.00 C ATOM 43 CG GLU A 4 -14.337 9.287 7.853 1.00 0.00 C ATOM 44 CD GLU A 4 -15.674 9.781 8.371 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.461 8.950 8.871 1.00 0.00 O ATOM 46 OE2 GLU A 4 -15.933 11.000 8.277 1.00 0.00 O ATOM 0 H GLU A 4 -13.775 9.400 3.924 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.093 9.048 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.023 10.535 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.118 9.196 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.226 8.230 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.534 9.817 8.366 1.00 0.00 H new ATOM 53 N LYS A 5 -14.094 6.508 5.503 1.00 0.00 N ATOM 54 CA LYS A 5 -14.319 5.088 5.784 1.00 0.00 C ATOM 55 C LYS A 5 -13.097 4.258 5.407 1.00 0.00 C ATOM 56 O LYS A 5 -12.739 3.307 6.103 1.00 0.00 O ATOM 57 CB LYS A 5 -15.547 4.581 5.024 1.00 0.00 C ATOM 58 CG LYS A 5 -16.800 5.402 5.278 1.00 0.00 C ATOM 59 CD LYS A 5 -18.016 4.514 5.496 1.00 0.00 C ATOM 60 CE LYS A 5 -18.873 4.428 4.243 1.00 0.00 C ATOM 61 NZ LYS A 5 -18.980 3.030 3.740 1.00 0.00 N ATOM 0 H LYS A 5 -14.704 6.898 4.785 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.494 4.981 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.330 4.585 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.737 3.546 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.650 6.035 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.980 6.065 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.691 3.515 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.612 4.907 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.869 4.814 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.445 5.062 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.572 3.013 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.032 2.670 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.411 2.430 4.472 1.00 0.00 H new ATOM 75 N GLY A 6 -12.459 4.628 4.301 1.00 0.00 N ATOM 76 CA GLY A 6 -11.282 3.909 3.850 1.00 0.00 C ATOM 77 C GLY A 6 -10.105 3.954 4.814 1.00 0.00 C ATOM 78 O GLY A 6 -9.442 3.015 5.075 1.00 0.00 O ATOM 0 H GLY A 6 -12.736 5.412 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.553 2.868 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.966 4.321 2.891 1.00 0.00 H new ATOM 82 N LYS A 7 -9.907 5.165 5.341 1.00 0.00 N ATOM 83 CA LYS A 7 -8.828 5.383 6.284 1.00 0.00 C ATOM 84 C LYS A 7 -8.948 4.443 7.482 1.00 0.00 C ATOM 85 O LYS A 7 -7.960 3.857 7.924 1.00 0.00 O ATOM 86 CB LYS A 7 -8.814 6.838 6.757 1.00 0.00 C ATOM 87 CG LYS A 7 -8.115 7.037 8.092 1.00 0.00 C ATOM 88 CD LYS A 7 -9.081 7.536 9.156 1.00 0.00 C ATOM 89 CE LYS A 7 -8.513 8.733 9.903 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.066 10.019 9.392 1.00 0.00 N ATOM 0 H LYS A 7 -10.471 5.989 5.131 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.889 5.169 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.321 7.452 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.841 7.195 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.670 6.096 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.300 7.751 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.027 7.811 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.295 6.733 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.737 8.638 10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.427 8.740 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.655 10.811 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.831 10.122 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.099 10.023 9.508 1.00 0.00 H new ATOM 104 N LYS A 8 -10.204 4.379 8.070 1.00 0.00 N ATOM 105 CA LYS A 8 -10.473 3.544 9.235 1.00 0.00 C ATOM 106 C LYS A 8 -10.262 2.069 8.909 1.00 0.00 C ATOM 107 O LYS A 8 -9.717 1.313 9.716 1.00 0.00 O ATOM 108 CB LYS A 8 -11.902 3.768 9.732 1.00 0.00 C ATOM 109 CG LYS A 8 -12.475 2.583 10.490 1.00 0.00 C ATOM 110 CD LYS A 8 -13.104 1.568 9.549 1.00 0.00 C ATOM 111 CE LYS A 8 -14.278 2.166 8.791 1.00 0.00 C ATOM 112 NZ LYS A 8 -15.383 2.568 9.703 1.00 0.00 N ATOM 0 H LYS A 8 -11.013 4.902 7.735 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.774 3.828 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.919 4.645 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.544 3.988 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.685 2.103 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.223 2.933 11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.355 1.213 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.440 0.701 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.940 3.035 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.650 1.440 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.235 2.779 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.586 1.792 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.101 3.415 10.237 1.00 0.00 H new ATOM 126 N ILE A 9 -10.691 1.666 7.716 1.00 0.00 N ATOM 127 CA ILE A 9 -10.547 0.283 7.284 1.00 0.00 C ATOM 128 C ILE A 9 -9.079 -0.113 7.214 1.00 0.00 C ATOM 129 O ILE A 9 -8.704 -1.207 7.789 1.00 0.00 O ATOM 130 CB ILE A 9 -11.197 0.052 5.904 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.652 -0.386 6.069 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.410 -0.983 5.116 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.374 -0.589 4.755 1.00 0.00 C ATOM 0 H ILE A 9 -11.140 2.278 7.034 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.056 -0.336 8.022 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.182 0.990 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.681 -1.315 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.184 0.363 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.880 -1.136 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.388 -0.632 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.396 -1.925 5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.401 -0.899 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.376 0.345 4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.865 -1.360 4.176 1.00 0.00 H new ATOM 145 N PHE A 10 -8.265 0.755 6.618 1.00 0.00 N ATOM 146 CA PHE A 10 -6.831 0.514 6.486 1.00 0.00 C ATOM 147 C PHE A 10 -6.151 0.494 7.852 1.00 0.00 C ATOM 148 O PHE A 10 -5.215 -0.276 8.086 1.00 0.00 O ATOM 149 CB PHE A 10 -6.194 1.589 5.604 1.00 0.00 C ATOM 150 CG PHE A 10 -4.724 1.776 5.856 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.786 1.285 4.962 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.282 2.444 6.987 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.434 1.458 5.191 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.930 2.618 7.221 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.005 2.125 6.322 1.00 0.00 C ATOM 0 H PHE A 10 -8.578 1.639 6.216 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.694 -0.462 6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.345 1.325 4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.707 2.536 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.115 0.761 4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.001 2.833 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.713 1.072 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.598 3.139 8.107 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.949 2.261 6.503 1.00 0.00 H new ATOM 165 N VAL A 11 -6.651 1.417 8.581 1.00 0.00 N ATOM 166 CA VAL A 11 -5.913 1.662 9.808 1.00 0.00 C ATOM 167 C VAL A 11 -5.786 0.404 10.662 1.00 0.00 C ATOM 168 O VAL A 11 -4.690 0.064 11.107 1.00 0.00 O ATOM 169 CB VAL A 11 -6.581 2.767 10.650 1.00 0.00 C ATOM 170 CG1 VAL A 11 -5.935 2.859 12.023 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.511 4.103 9.928 1.00 0.00 C ATOM 0 H VAL A 11 -7.483 1.979 8.399 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.916 1.983 9.505 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.631 2.509 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.421 3.645 12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.044 1.906 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.876 3.092 11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.987 4.871 10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.468 4.370 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.027 4.027 8.971 1.00 0.00 H new ATOM 181 N GLN A 12 -6.910 -0.321 11.001 1.00 0.00 N ATOM 182 CA GLN A 12 -6.852 -1.549 11.760 1.00 0.00 C ATOM 183 C GLN A 12 -6.487 -2.729 10.868 1.00 0.00 C ATOM 184 O GLN A 12 -5.474 -3.406 11.036 1.00 0.00 O ATOM 185 CB GLN A 12 -8.207 -1.794 12.434 1.00 0.00 C ATOM 186 CG GLN A 12 -9.392 -1.613 11.500 1.00 0.00 C ATOM 187 CD GLN A 12 -10.054 -2.929 11.139 1.00 0.00 C ATOM 188 OE1 GLN A 12 -11.265 -2.988 10.924 1.00 0.00 O ATOM 189 NE2 GLN A 12 -9.262 -3.992 11.070 1.00 0.00 N ATOM 0 H GLN A 12 -7.856 -0.042 10.741 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.077 -1.453 12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.225 -2.806 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.312 -1.112 13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.125 -0.959 11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.060 -1.115 10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.264 -3.897 11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.652 -4.904 10.831 1.00 0.00 H new ATOM 198 N LYS A 13 -7.188 -2.693 9.781 1.00 0.00 N ATOM 199 CA LYS A 13 -6.922 -3.438 8.587 1.00 0.00 C ATOM 200 C LYS A 13 -5.548 -3.960 8.601 1.00 0.00 C ATOM 201 O LYS A 13 -5.395 -5.198 8.313 1.00 0.00 O ATOM 202 CB LYS A 13 -6.969 -2.557 7.361 1.00 0.00 C ATOM 203 CG LYS A 13 -6.319 -3.062 6.142 1.00 0.00 C ATOM 204 CD LYS A 13 -7.067 -4.201 5.470 1.00 0.00 C ATOM 205 CE LYS A 13 -7.317 -3.914 3.998 1.00 0.00 C ATOM 206 NZ LYS A 13 -8.702 -4.274 3.587 1.00 0.00 N ATOM 0 H LYS A 13 -8.017 -2.104 9.695 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.676 -4.224 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.015 -2.359 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.512 -1.601 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.213 -2.242 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.313 -3.399 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.493 -5.123 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.019 -4.361 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.144 -2.856 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.603 -4.473 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.903 -3.867 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.792 -5.309 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.379 -3.898 4.281 1.00 0.00 H new ATOM 220 N CYS A 14 -4.468 -3.191 8.761 1.00 0.00 N ATOM 221 CA CYS A 14 -3.096 -3.676 8.759 1.00 0.00 C ATOM 222 C CYS A 14 -2.066 -2.659 9.010 1.00 0.00 C ATOM 223 O CYS A 14 -0.907 -2.688 8.732 1.00 0.00 O ATOM 224 CB CYS A 14 -2.654 -4.581 7.508 1.00 0.00 C ATOM 225 SG CYS A 14 -3.238 -4.011 5.795 1.00 0.00 S ATOM 0 H CYS A 14 -4.532 -2.182 8.899 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.144 -4.336 9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.565 -4.636 7.495 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.022 -5.593 7.674 1.00 0.00 H new ATOM 230 N ALA A 15 -2.619 -1.362 9.341 1.00 0.00 N ATOM 231 CA ALA A 15 -1.777 -0.192 9.548 1.00 0.00 C ATOM 232 C ALA A 15 -0.638 -0.548 10.590 1.00 0.00 C ATOM 233 O ALA A 15 0.452 0.083 10.399 1.00 0.00 O ATOM 234 CB ALA A 15 -2.604 0.968 10.082 1.00 0.00 C ATOM 0 H ALA A 15 -3.617 -1.183 9.450 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.334 0.100 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.961 1.835 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.387 1.217 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.058 0.685 11.032 1.00 0.00 H new ATOM 240 N GLN A 16 -0.647 -1.666 11.429 1.00 0.00 N ATOM 241 CA GLN A 16 0.450 -2.014 12.323 1.00 0.00 C ATOM 242 C GLN A 16 1.674 -2.451 11.525 1.00 0.00 C ATOM 243 O GLN A 16 2.810 -2.166 11.904 1.00 0.00 O ATOM 244 CB GLN A 16 0.025 -3.131 13.280 1.00 0.00 C ATOM 245 CG GLN A 16 -1.482 -3.246 13.447 1.00 0.00 C ATOM 246 CD GLN A 16 -1.870 -4.087 14.647 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.633 -5.046 14.526 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.348 -3.731 15.814 1.00 0.00 N ATOM 0 H GLN A 16 -1.429 -2.320 11.473 1.00 0.00 H new ATOM 0 HA GLN A 16 0.709 -1.130 12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.415 -4.080 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.478 -2.955 14.256 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.910 -2.249 13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.912 -3.684 12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.720 -2.929 15.868 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.575 -4.259 16.657 1.00 0.00 H new ATOM 257 N CYS A 17 1.431 -3.137 10.413 1.00 0.00 N ATOM 258 CA CYS A 17 2.509 -3.612 9.556 1.00 0.00 C ATOM 259 C CYS A 17 3.068 -2.471 8.710 1.00 0.00 C ATOM 260 O CYS A 17 4.189 -2.550 8.208 1.00 0.00 O ATOM 261 CB CYS A 17 2.009 -4.734 8.645 1.00 0.00 C ATOM 262 SG CYS A 17 1.891 -6.348 9.478 1.00 0.00 S ATOM 0 H CYS A 17 0.495 -3.376 10.085 1.00 0.00 H new ATOM 0 HA CYS A 17 3.304 -3.998 10.194 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.028 -4.464 8.254 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.680 -4.823 7.790 1.00 0.00 H new ATOM 267 N HIS A 18 2.275 -1.418 8.553 1.00 0.00 N ATOM 268 CA HIS A 18 2.688 -0.264 7.766 1.00 0.00 C ATOM 269 C HIS A 18 2.904 0.956 8.657 1.00 0.00 C ATOM 270 O HIS A 18 2.893 2.093 8.183 1.00 0.00 O ATOM 271 CB HIS A 18 1.639 0.047 6.695 1.00 0.00 C ATOM 272 CG HIS A 18 1.339 -1.117 5.806 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.449 -1.066 4.433 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.930 -2.374 6.102 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.122 -2.242 3.923 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.803 -3.053 4.915 1.00 0.00 N ATOM 0 H HIS A 18 1.343 -1.340 8.960 1.00 0.00 H new ATOM 0 HA HIS A 18 3.634 -0.504 7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.719 0.371 7.181 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.988 0.880 6.085 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.737 -0.249 3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.739 -2.769 7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.117 -2.496 2.873 1.00 0.00 H new ATOM 284 N THR A 19 3.099 0.709 9.947 1.00 0.00 N ATOM 285 CA THR A 19 3.320 1.784 10.906 1.00 0.00 C ATOM 286 C THR A 19 2.252 2.863 10.773 1.00 0.00 C ATOM 287 O THR A 19 1.597 2.983 9.739 1.00 0.00 O ATOM 288 CB THR A 19 4.707 2.396 10.711 1.00 0.00 C ATOM 289 OG1 THR A 19 5.708 1.396 10.751 1.00 0.00 O ATOM 290 CG2 THR A 19 5.055 3.435 11.756 1.00 0.00 C ATOM 0 H THR A 19 3.109 -0.227 10.353 1.00 0.00 H new ATOM 0 HA THR A 19 3.257 1.359 11.908 1.00 0.00 H new ATOM 0 HB THR A 19 4.673 2.881 9.735 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.376 1.629 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.052 3.829 11.559 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.329 4.247 11.717 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.034 2.977 12.745 1.00 0.00 H new ATOM 298 N VAL A 20 2.084 3.643 11.832 1.00 0.00 N ATOM 299 CA VAL A 20 1.099 4.718 11.851 1.00 0.00 C ATOM 300 C VAL A 20 1.660 5.992 11.226 1.00 0.00 C ATOM 301 O VAL A 20 2.347 5.945 10.205 1.00 0.00 O ATOM 302 CB VAL A 20 0.627 5.020 13.285 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.725 5.716 13.266 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.565 3.739 14.103 1.00 0.00 C ATOM 0 H VAL A 20 2.620 3.551 12.695 1.00 0.00 H new ATOM 0 HA VAL A 20 0.247 4.378 11.262 1.00 0.00 H new ATOM 0 HB VAL A 20 1.347 5.691 13.754 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.043 5.922 14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.644 6.653 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.459 5.073 12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.230 3.969 15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.134 3.044 13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.555 3.285 14.143 1.00 0.00 H new ATOM 314 N GLU A 21 1.351 7.129 11.839 1.00 0.00 N ATOM 315 CA GLU A 21 1.815 8.419 11.340 1.00 0.00 C ATOM 316 C GLU A 21 3.331 8.541 11.450 1.00 0.00 C ATOM 317 O GLU A 21 3.944 8.019 12.384 1.00 0.00 O ATOM 318 CB GLU A 21 1.144 9.559 12.114 1.00 0.00 C ATOM 319 CG GLU A 21 0.022 9.095 13.029 1.00 0.00 C ATOM 320 CD GLU A 21 -0.631 10.244 13.772 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.777 10.070 14.244 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.003 11.317 13.884 1.00 0.00 O ATOM 0 H GLU A 21 0.781 7.184 12.683 1.00 0.00 H new ATOM 0 HA GLU A 21 1.542 8.488 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.897 10.075 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.746 10.284 11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.731 8.572 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.417 8.378 13.749 1.00 0.00 H new ATOM 329 N LYS A 22 3.930 9.229 10.481 1.00 0.00 N ATOM 330 CA LYS A 22 5.375 9.417 10.461 1.00 0.00 C ATOM 331 C LYS A 22 5.866 9.973 11.790 1.00 0.00 C ATOM 332 O LYS A 22 5.443 11.045 12.225 1.00 0.00 O ATOM 333 CB LYS A 22 5.772 10.358 9.322 1.00 0.00 C ATOM 334 CG LYS A 22 7.234 10.243 8.920 1.00 0.00 C ATOM 335 CD LYS A 22 8.152 10.364 10.125 1.00 0.00 C ATOM 336 CE LYS A 22 7.933 11.672 10.866 1.00 0.00 C ATOM 337 NZ LYS A 22 8.696 11.724 12.143 1.00 0.00 N ATOM 0 H LYS A 22 3.437 9.664 9.701 1.00 0.00 H new ATOM 0 HA LYS A 22 5.842 8.446 10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.147 10.148 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.566 11.385 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.403 9.286 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.476 11.022 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.977 9.528 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.190 10.299 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.234 12.504 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.870 11.798 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.051 11.960 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.134 10.798 12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.437 12.450 12.075 1.00 0.00 H new ATOM 351 N GLY A 23 6.757 9.229 12.435 1.00 0.00 N ATOM 352 CA GLY A 23 7.293 9.648 13.714 1.00 0.00 C ATOM 353 C GLY A 23 7.611 8.466 14.604 1.00 0.00 C ATOM 354 O GLY A 23 8.548 8.511 15.403 1.00 0.00 O ATOM 0 H GLY A 23 7.118 8.339 12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.197 10.236 13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.574 10.297 14.214 1.00 0.00 H new ATOM 358 N GLY A 24 6.830 7.399 14.462 1.00 0.00 N ATOM 359 CA GLY A 24 7.050 6.208 15.263 1.00 0.00 C ATOM 360 C GLY A 24 8.209 5.376 14.748 1.00 0.00 C ATOM 361 O GLY A 24 9.300 5.894 14.517 1.00 0.00 O ATOM 0 H GLY A 24 6.050 7.338 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.244 6.498 16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.144 5.602 15.267 1.00 0.00 H new ATOM 365 N LYS A 25 7.971 4.079 14.566 1.00 0.00 N ATOM 366 CA LYS A 25 9.004 3.176 14.074 1.00 0.00 C ATOM 367 C LYS A 25 8.689 2.712 12.655 1.00 0.00 C ATOM 368 O LYS A 25 7.531 2.718 12.233 1.00 0.00 O ATOM 369 CB LYS A 25 9.139 1.964 15.000 1.00 0.00 C ATOM 370 CG LYS A 25 8.384 2.115 16.311 1.00 0.00 C ATOM 371 CD LYS A 25 7.883 0.774 16.822 1.00 0.00 C ATOM 372 CE LYS A 25 6.992 0.086 15.801 1.00 0.00 C ATOM 373 NZ LYS A 25 7.510 -1.260 15.429 1.00 0.00 N ATOM 0 H LYS A 25 7.073 3.632 14.752 1.00 0.00 H new ATOM 0 HA LYS A 25 9.949 3.720 14.060 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.775 1.078 14.480 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.194 1.797 15.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.036 2.570 17.057 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.540 2.791 16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.732 0.132 17.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.329 0.921 17.749 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.985 -0.012 16.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.918 0.706 14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.874 -1.696 14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.461 -1.165 15.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.557 -1.860 16.277 1.00 0.00 H new ATOM 387 N HIS A 26 9.721 2.308 11.922 1.00 0.00 N ATOM 388 CA HIS A 26 9.546 1.839 10.551 1.00 0.00 C ATOM 389 C HIS A 26 8.683 0.583 10.517 1.00 0.00 C ATOM 390 O HIS A 26 8.796 -0.285 11.380 1.00 0.00 O ATOM 391 CB HIS A 26 10.902 1.558 9.898 1.00 0.00 C ATOM 392 CG HIS A 26 12.070 1.827 10.796 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.275 1.162 11.985 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.102 2.694 10.669 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.380 1.610 12.553 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.901 2.539 11.774 1.00 0.00 N ATOM 0 H HIS A 26 10.686 2.296 12.253 1.00 0.00 H new ATOM 0 HA HIS A 26 9.042 2.625 9.989 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.933 0.516 9.579 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.997 2.169 9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.266 3.380 9.851 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.788 1.273 13.495 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.759 3.058 11.963 1.00 0.00 H new ATOM 405 N LYS A 27 7.819 0.498 9.512 1.00 0.00 N ATOM 406 CA LYS A 27 6.932 -0.648 9.362 1.00 0.00 C ATOM 407 C LYS A 27 7.613 -1.765 8.580 1.00 0.00 C ATOM 408 O LYS A 27 8.715 -1.591 8.058 1.00 0.00 O ATOM 409 CB LYS A 27 5.645 -0.230 8.649 1.00 0.00 C ATOM 410 CG LYS A 27 5.739 -0.315 7.136 1.00 0.00 C ATOM 411 CD LYS A 27 5.229 0.954 6.473 1.00 0.00 C ATOM 412 CE LYS A 27 5.669 2.195 7.232 1.00 0.00 C ATOM 413 NZ LYS A 27 6.269 3.216 6.328 1.00 0.00 N ATOM 0 H LYS A 27 7.714 1.210 8.789 1.00 0.00 H new ATOM 0 HA LYS A 27 6.689 -1.019 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.827 -0.864 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.397 0.793 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.775 -0.488 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.161 -1.169 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.597 1.003 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.141 0.926 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.812 2.627 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.395 1.915 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.173 3.542 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.433 2.796 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.620 4.023 6.237 1.00 0.00 H new ATOM 427 N THR A 28 6.952 -2.916 8.503 1.00 0.00 N ATOM 428 CA THR A 28 7.492 -4.062 7.783 1.00 0.00 C ATOM 429 C THR A 28 7.522 -3.796 6.282 1.00 0.00 C ATOM 430 O THR A 28 8.467 -4.182 5.592 1.00 0.00 O ATOM 431 CB THR A 28 6.661 -5.313 8.077 1.00 0.00 C ATOM 432 OG1 THR A 28 6.048 -5.220 9.351 1.00 0.00 O ATOM 433 CG2 THR A 28 7.471 -6.591 8.049 1.00 0.00 C ATOM 0 H THR A 28 6.041 -3.079 8.931 1.00 0.00 H new ATOM 0 HA THR A 28 8.514 -4.226 8.124 1.00 0.00 H new ATOM 0 HB THR A 28 5.916 -5.358 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.162 -4.811 9.259 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.821 -7.439 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.916 -6.718 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.260 -6.538 8.799 1.00 0.00 H new ATOM 441 N GLY A 29 6.484 -3.135 5.782 1.00 0.00 N ATOM 442 CA GLY A 29 6.410 -2.829 4.366 1.00 0.00 C ATOM 443 C GLY A 29 5.952 -1.407 4.105 1.00 0.00 C ATOM 444 O GLY A 29 5.182 -0.847 4.886 1.00 0.00 O ATOM 0 H GLY A 29 5.692 -2.805 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.389 -2.981 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.723 -3.524 3.882 1.00 0.00 H new ATOM 448 N PRO A 30 6.409 -0.794 3.004 1.00 0.00 N ATOM 449 CA PRO A 30 6.034 0.575 2.648 1.00 0.00 C ATOM 450 C PRO A 30 4.547 0.843 2.851 1.00 0.00 C ATOM 451 O PRO A 30 3.698 0.165 2.273 1.00 0.00 O ATOM 452 CB PRO A 30 6.400 0.654 1.167 1.00 0.00 C ATOM 453 CG PRO A 30 7.551 -0.283 1.020 1.00 0.00 C ATOM 454 CD PRO A 30 7.326 -1.392 2.016 1.00 0.00 C ATOM 0 HA PRO A 30 6.536 1.317 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.563 0.358 0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.674 1.669 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.604 -0.677 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.495 0.227 1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.888 -2.271 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.260 -1.711 2.478 1.00 0.00 H new ATOM 462 N ASN A 31 4.239 1.834 3.682 1.00 0.00 N ATOM 463 CA ASN A 31 2.855 2.192 3.967 1.00 0.00 C ATOM 464 C ASN A 31 2.084 2.467 2.680 1.00 0.00 C ATOM 465 O ASN A 31 1.103 1.787 2.377 1.00 0.00 O ATOM 466 CB ASN A 31 2.801 3.420 4.880 1.00 0.00 C ATOM 467 CG ASN A 31 1.599 3.403 5.803 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.839 2.435 5.833 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.421 4.477 6.561 1.00 0.00 N ATOM 0 H ASN A 31 4.930 2.403 4.170 1.00 0.00 H new ATOM 0 HA ASN A 31 2.387 1.348 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.712 3.466 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.774 4.322 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.629 4.523 7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.076 5.256 6.503 1.00 0.00 H new ATOM 476 N LEU A 32 2.531 3.466 1.929 1.00 0.00 N ATOM 477 CA LEU A 32 1.865 3.810 0.778 1.00 0.00 C ATOM 478 C LEU A 32 2.654 4.931 -0.042 1.00 0.00 C ATOM 479 O LEU A 32 2.620 5.026 -1.268 1.00 0.00 O ATOM 480 CB LEU A 32 0.431 4.266 0.849 1.00 0.00 C ATOM 481 CG LEU A 32 -0.104 5.442 1.686 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.476 5.387 3.090 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.291 6.727 0.998 1.00 0.00 C ATOM 0 H LEU A 32 3.358 4.026 2.136 1.00 0.00 H new ATOM 0 HA LEU A 32 1.830 2.833 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.139 4.480 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.140 3.394 1.168 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.189 5.386 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.092 6.223 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.189 4.449 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.563 5.450 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.078 7.576 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.377 6.782 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.141 6.752 -0.002 1.00 0.00 H new ATOM 495 N HIS A 33 3.351 5.757 0.730 1.00 0.00 N ATOM 496 CA HIS A 33 4.134 6.850 0.164 1.00 0.00 C ATOM 497 C HIS A 33 5.009 6.353 -0.981 1.00 0.00 C ATOM 498 O HIS A 33 5.807 5.429 -0.812 1.00 0.00 O ATOM 499 CB HIS A 33 5.005 7.494 1.244 1.00 0.00 C ATOM 500 CG HIS A 33 4.856 8.983 1.324 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.826 9.809 1.853 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.845 9.794 0.934 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.417 11.063 1.787 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.217 11.081 1.234 1.00 0.00 N ATOM 0 H HIS A 33 3.390 5.691 1.747 1.00 0.00 H new ATOM 0 HA HIS A 33 3.442 7.596 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.752 7.059 2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.050 7.251 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.918 9.486 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.969 11.927 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.658 11.916 1.058 1.00 0.00 H new ATOM 513 N GLY A 34 4.854 6.969 -2.149 1.00 0.00 N ATOM 514 CA GLY A 34 5.635 6.573 -3.304 1.00 0.00 C ATOM 515 C GLY A 34 5.207 5.230 -3.862 1.00 0.00 C ATOM 516 O GLY A 34 5.938 4.607 -4.631 1.00 0.00 O ATOM 0 H GLY A 34 4.201 7.735 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.540 7.332 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.689 6.529 -3.028 1.00 0.00 H new ATOM 520 N LEU A 35 4.017 4.783 -3.470 1.00 0.00 N ATOM 521 CA LEU A 35 3.491 3.504 -3.934 1.00 0.00 C ATOM 522 C LEU A 35 3.338 3.499 -5.452 1.00 0.00 C ATOM 523 O LEU A 35 3.764 2.561 -6.125 1.00 0.00 O ATOM 524 CB LEU A 35 2.143 3.214 -3.273 1.00 0.00 C ATOM 525 CG LEU A 35 1.569 1.825 -3.556 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.576 0.747 -3.187 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.266 1.623 -2.796 1.00 0.00 C ATOM 0 H LEU A 35 3.400 5.287 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 35 4.200 2.724 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.251 3.333 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.424 3.962 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 35 1.360 1.748 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.151 -0.235 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.484 0.881 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.816 0.821 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.129 0.630 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.450 1.719 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.458 2.376 -3.108 1.00 0.00 H new ATOM 539 N PHE A 36 2.731 4.555 -5.982 1.00 0.00 N ATOM 540 CA PHE A 36 2.525 4.675 -7.421 1.00 0.00 C ATOM 541 C PHE A 36 3.414 5.763 -8.008 1.00 0.00 C ATOM 542 O PHE A 36 3.208 6.208 -9.137 1.00 0.00 O ATOM 543 CB PHE A 36 1.056 4.978 -7.723 1.00 0.00 C ATOM 544 CG PHE A 36 0.106 4.457 -6.681 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.492 3.216 -6.828 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.189 5.210 -5.556 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.366 2.735 -5.872 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.061 4.734 -4.596 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.651 3.495 -4.756 1.00 0.00 C ATOM 0 H PHE A 36 2.373 5.340 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 36 2.794 3.725 -7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.927 6.057 -7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.796 4.545 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.273 2.618 -7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.268 6.180 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.825 1.766 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.281 5.329 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.335 3.122 -4.008 1.00 0.00 H new ATOM 559 N GLY A 37 4.406 6.190 -7.232 1.00 0.00 N ATOM 560 CA GLY A 37 5.316 7.225 -7.689 1.00 0.00 C ATOM 561 C GLY A 37 6.767 6.788 -7.625 1.00 0.00 C ATOM 562 O GLY A 37 7.557 7.104 -8.515 1.00 0.00 O ATOM 0 H GLY A 37 4.596 5.837 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.066 7.498 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.181 8.119 -7.080 1.00 0.00 H new ATOM 566 N ARG A 38 7.116 6.059 -6.571 1.00 0.00 N ATOM 567 CA ARG A 38 8.480 5.575 -6.391 1.00 0.00 C ATOM 568 C ARG A 38 8.662 4.217 -7.061 1.00 0.00 C ATOM 569 O ARG A 38 7.688 3.583 -7.470 1.00 0.00 O ATOM 570 CB ARG A 38 8.817 5.477 -4.904 1.00 0.00 C ATOM 571 CG ARG A 38 8.896 6.826 -4.208 1.00 0.00 C ATOM 572 CD ARG A 38 9.587 6.715 -2.859 1.00 0.00 C ATOM 573 NE ARG A 38 10.706 7.647 -2.738 1.00 0.00 N ATOM 574 CZ ARG A 38 10.613 8.947 -2.998 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.459 9.465 -3.393 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.675 9.729 -2.865 1.00 0.00 N ATOM 0 H ARG A 38 6.472 5.790 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 38 9.160 6.286 -6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.063 4.866 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.771 4.962 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.437 7.531 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.891 7.226 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.866 6.910 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.947 5.696 -2.719 1.00 0.00 H new ATOM 0 HE ARG A 38 11.609 7.279 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.640 8.866 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.389 10.463 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.565 9.333 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.602 10.727 -3.065 1.00 0.00 H new ATOM 590 N LYS A 39 9.911 3.777 -7.184 1.00 0.00 N ATOM 591 CA LYS A 39 10.206 2.498 -7.820 1.00 0.00 C ATOM 592 C LYS A 39 9.431 1.363 -7.166 1.00 0.00 C ATOM 593 O LYS A 39 8.280 1.103 -7.519 1.00 0.00 O ATOM 594 CB LYS A 39 11.706 2.196 -7.773 1.00 0.00 C ATOM 595 CG LYS A 39 12.097 0.910 -8.494 1.00 0.00 C ATOM 596 CD LYS A 39 11.001 0.442 -9.441 1.00 0.00 C ATOM 597 CE LYS A 39 10.706 1.478 -10.510 1.00 0.00 C ATOM 598 NZ LYS A 39 9.387 1.244 -11.161 1.00 0.00 N ATOM 0 H LYS A 39 10.731 4.285 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 39 9.894 2.575 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.249 3.030 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.021 2.128 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.018 1.072 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.303 0.130 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.302 -0.493 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.093 0.235 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.720 2.473 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.492 1.455 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.904 2.154 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.531 0.780 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.803 0.634 -10.553 1.00 0.00 H new ATOM 612 N THR A 40 10.082 0.490 -6.425 1.00 0.00 N ATOM 613 CA THR A 40 9.354 -0.423 -5.527 1.00 0.00 C ATOM 614 C THR A 40 10.057 -0.545 -4.088 1.00 0.00 C ATOM 615 O THR A 40 11.005 -1.141 -3.838 1.00 0.00 O ATOM 616 CB THR A 40 9.176 -1.833 -5.926 1.00 0.00 C ATOM 617 OG1 THR A 40 10.379 -2.533 -6.144 1.00 0.00 O ATOM 618 CG2 THR A 40 8.092 -2.183 -6.777 1.00 0.00 C ATOM 0 H THR A 40 11.096 0.383 -6.416 1.00 0.00 H new ATOM 0 HA THR A 40 8.382 0.070 -5.546 1.00 0.00 H new ATOM 0 HB THR A 40 8.769 -2.240 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.010 -2.332 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.112 -3.256 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.151 -1.917 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.181 -1.644 -7.720 1.00 0.00 H new ATOM 626 N GLY A 41 9.147 -0.049 -3.166 1.00 0.00 N ATOM 627 CA GLY A 41 9.510 -0.147 -1.762 1.00 0.00 C ATOM 628 C GLY A 41 10.906 0.373 -1.470 1.00 0.00 C ATOM 629 O GLY A 41 11.617 -0.182 -0.633 1.00 0.00 O ATOM 0 H GLY A 41 8.245 0.379 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.788 0.412 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.444 -1.189 -1.448 1.00 0.00 H new ATOM 633 N GLN A 42 11.302 1.439 -2.156 1.00 0.00 N ATOM 634 CA GLN A 42 12.624 2.027 -1.956 1.00 0.00 C ATOM 635 C GLN A 42 12.547 3.268 -1.073 1.00 0.00 C ATOM 636 O GLN A 42 13.170 4.289 -1.364 1.00 0.00 O ATOM 637 CB GLN A 42 13.260 2.385 -3.302 1.00 0.00 C ATOM 638 CG GLN A 42 12.262 2.471 -4.445 1.00 0.00 C ATOM 639 CD GLN A 42 11.111 3.408 -4.142 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.317 4.553 -3.742 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.890 2.923 -4.331 1.00 0.00 N ATOM 0 H GLN A 42 10.729 1.914 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 42 13.245 1.285 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.775 3.341 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.016 1.639 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.774 2.810 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.870 1.476 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.767 1.967 -4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.075 3.506 -4.143 1.00 0.00 H new ATOM 650 N ALA A 43 11.779 3.174 0.009 1.00 0.00 N ATOM 651 CA ALA A 43 11.621 4.290 0.934 1.00 0.00 C ATOM 652 C ALA A 43 12.975 4.799 1.423 1.00 0.00 C ATOM 653 O ALA A 43 14.018 4.245 1.079 1.00 0.00 O ATOM 654 CB ALA A 43 10.757 3.877 2.117 1.00 0.00 C ATOM 0 H ALA A 43 11.257 2.336 0.266 1.00 0.00 H new ATOM 0 HA ALA A 43 11.128 5.102 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.648 4.720 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.774 3.569 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.230 3.046 2.640 1.00 0.00 H new ATOM 660 N PRO A 44 12.970 5.870 2.231 1.00 0.00 N ATOM 661 CA PRO A 44 14.196 6.465 2.769 1.00 0.00 C ATOM 662 C PRO A 44 14.745 5.695 3.967 1.00 0.00 C ATOM 663 O PRO A 44 15.351 4.635 3.810 1.00 0.00 O ATOM 664 CB PRO A 44 13.735 7.859 3.188 1.00 0.00 C ATOM 665 CG PRO A 44 12.307 7.677 3.573 1.00 0.00 C ATOM 666 CD PRO A 44 11.763 6.590 2.681 1.00 0.00 C ATOM 0 HA PRO A 44 15.011 6.463 2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.326 8.239 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.838 8.574 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.220 7.398 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.748 8.603 3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.082 5.932 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.206 7.003 1.840 1.00 0.00 H new ATOM 674 N GLY A 45 14.533 6.236 5.163 1.00 0.00 N ATOM 675 CA GLY A 45 15.015 5.588 6.370 1.00 0.00 C ATOM 676 C GLY A 45 14.248 4.323 6.696 1.00 0.00 C ATOM 677 O GLY A 45 14.460 3.710 7.742 1.00 0.00 O ATOM 0 H GLY A 45 14.035 7.113 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.072 5.348 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.937 6.282 7.207 1.00 0.00 H new ATOM 681 N PHE A 46 13.355 3.931 5.796 1.00 0.00 N ATOM 682 CA PHE A 46 12.549 2.730 5.984 1.00 0.00 C ATOM 683 C PHE A 46 13.327 1.483 5.580 1.00 0.00 C ATOM 684 O PHE A 46 13.975 1.457 4.532 1.00 0.00 O ATOM 685 CB PHE A 46 11.257 2.823 5.173 1.00 0.00 C ATOM 686 CG PHE A 46 10.367 1.623 5.331 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.619 1.447 6.482 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.282 0.671 4.329 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.800 0.345 6.633 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.465 -0.434 4.472 1.00 0.00 C ATOM 691 CZ PHE A 46 8.723 -0.598 5.626 1.00 0.00 C ATOM 0 H PHE A 46 13.170 4.429 4.925 1.00 0.00 H new ATOM 0 HA PHE A 46 12.300 2.654 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.709 3.715 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.506 2.945 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.676 2.181 7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.861 0.794 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.221 0.221 7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.406 -1.169 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.084 -1.461 5.741 1.00 0.00 H new ATOM 701 N THR A 47 13.258 0.451 6.412 1.00 0.00 N ATOM 702 CA THR A 47 13.959 -0.798 6.133 1.00 0.00 C ATOM 703 C THR A 47 13.173 -1.640 5.134 1.00 0.00 C ATOM 704 O THR A 47 12.191 -2.290 5.489 1.00 0.00 O ATOM 705 CB THR A 47 14.180 -1.585 7.425 1.00 0.00 C ATOM 706 OG1 THR A 47 15.524 -2.017 7.527 1.00 0.00 O ATOM 707 CG2 THR A 47 13.295 -2.809 7.540 1.00 0.00 C ATOM 0 H THR A 47 12.726 0.453 7.282 1.00 0.00 H new ATOM 0 HA THR A 47 14.929 -0.557 5.699 1.00 0.00 H new ATOM 0 HB THR A 47 13.925 -0.895 8.229 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.645 -2.517 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.503 -3.321 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.249 -2.505 7.516 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.496 -3.483 6.707 1.00 0.00 H new ATOM 715 N TYR A 48 13.612 -1.611 3.880 1.00 0.00 N ATOM 716 CA TYR A 48 12.952 -2.357 2.817 1.00 0.00 C ATOM 717 C TYR A 48 13.233 -3.850 2.924 1.00 0.00 C ATOM 718 O TYR A 48 14.215 -4.272 3.533 1.00 0.00 O ATOM 719 CB TYR A 48 13.415 -1.853 1.448 1.00 0.00 C ATOM 720 CG TYR A 48 14.468 -0.770 1.520 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.752 -1.053 1.970 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.179 0.533 1.137 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.717 -0.067 2.036 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.140 1.525 1.202 1.00 0.00 C ATOM 725 CZ TYR A 48 16.406 1.220 1.651 1.00 0.00 C ATOM 726 OH TYR A 48 17.366 2.204 1.716 1.00 0.00 O ATOM 0 H TYR A 48 14.425 -1.076 3.575 1.00 0.00 H new ATOM 0 HA TYR A 48 11.879 -2.198 2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.810 -2.693 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.553 -1.472 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.999 -2.060 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.188 0.775 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.711 -0.303 2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.899 2.534 0.902 1.00 0.00 H new ATOM 0 HH TYR A 48 16.986 3.053 1.408 1.00 0.00 H new ATOM 736 N THR A 49 12.366 -4.642 2.304 1.00 0.00 N ATOM 737 CA THR A 49 12.511 -6.090 2.293 1.00 0.00 C ATOM 738 C THR A 49 13.528 -6.491 1.237 1.00 0.00 C ATOM 739 O THR A 49 13.963 -5.658 0.446 1.00 0.00 O ATOM 740 CB THR A 49 11.168 -6.761 2.009 1.00 0.00 C ATOM 741 OG1 THR A 49 10.773 -6.544 0.666 1.00 0.00 O ATOM 742 CG2 THR A 49 10.051 -6.267 2.900 1.00 0.00 C ATOM 0 H THR A 49 11.549 -4.300 1.798 1.00 0.00 H new ATOM 0 HA THR A 49 12.858 -6.418 3.273 1.00 0.00 H new ATOM 0 HB THR A 49 11.328 -7.821 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.912 -6.983 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.126 -6.785 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.302 -6.465 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.918 -5.195 2.756 1.00 0.00 H new ATOM 750 N ASP A 50 13.911 -7.759 1.220 1.00 0.00 N ATOM 751 CA ASP A 50 14.882 -8.226 0.243 1.00 0.00 C ATOM 752 C ASP A 50 14.424 -7.869 -1.167 1.00 0.00 C ATOM 753 O ASP A 50 15.235 -7.536 -2.030 1.00 0.00 O ATOM 754 CB ASP A 50 15.081 -9.738 0.366 1.00 0.00 C ATOM 755 CG ASP A 50 15.505 -10.374 -0.942 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.677 -10.792 -1.047 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.665 -10.454 -1.864 1.00 0.00 O ATOM 0 H ASP A 50 13.570 -8.474 1.862 1.00 0.00 H new ATOM 0 HA ASP A 50 15.835 -7.734 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.835 -9.942 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.153 -10.197 0.706 1.00 0.00 H new ATOM 762 N ALA A 51 13.113 -7.929 -1.389 1.00 0.00 N ATOM 763 CA ALA A 51 12.545 -7.600 -2.691 1.00 0.00 C ATOM 764 C ALA A 51 12.642 -6.102 -2.972 1.00 0.00 C ATOM 765 O ALA A 51 13.022 -5.688 -4.069 1.00 0.00 O ATOM 766 CB ALA A 51 11.096 -8.060 -2.763 1.00 0.00 C ATOM 0 H ALA A 51 12.427 -8.202 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 51 13.121 -8.123 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.683 -7.809 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.049 -9.139 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.517 -7.562 -1.985 1.00 0.00 H new ATOM 772 N ASN A 52 12.294 -5.291 -1.974 1.00 0.00 N ATOM 773 CA ASN A 52 12.341 -3.841 -2.122 1.00 0.00 C ATOM 774 C ASN A 52 13.761 -3.374 -2.417 1.00 0.00 C ATOM 775 O ASN A 52 13.981 -2.543 -3.300 1.00 0.00 O ATOM 776 CB ASN A 52 11.824 -3.161 -0.851 1.00 0.00 C ATOM 777 CG ASN A 52 10.366 -3.476 -0.580 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.863 -3.246 0.522 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.678 -4.007 -1.584 1.00 0.00 N ATOM 0 H ASN A 52 11.978 -5.613 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 52 11.702 -3.564 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.426 -3.480 -0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.949 -2.082 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.693 -4.241 -1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.134 -4.181 -2.480 1.00 0.00 H new ATOM 786 N LYS A 53 14.723 -3.922 -1.686 1.00 0.00 N ATOM 787 CA LYS A 53 16.122 -3.572 -1.881 1.00 0.00 C ATOM 788 C LYS A 53 16.548 -3.890 -3.307 1.00 0.00 C ATOM 789 O LYS A 53 17.405 -3.213 -3.879 1.00 0.00 O ATOM 790 CB LYS A 53 17.007 -4.331 -0.888 1.00 0.00 C ATOM 791 CG LYS A 53 16.700 -5.818 -0.816 1.00 0.00 C ATOM 792 CD LYS A 53 17.744 -6.562 0.001 1.00 0.00 C ATOM 793 CE LYS A 53 17.378 -6.595 1.476 1.00 0.00 C ATOM 794 NZ LYS A 53 17.174 -7.985 1.968 1.00 0.00 N ATOM 0 H LYS A 53 14.559 -4.611 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 53 16.239 -2.503 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.052 -4.197 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.884 -3.894 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.715 -5.967 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.662 -6.232 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.842 -7.581 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.715 -6.082 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.167 -6.117 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.469 -6.016 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.209 -8.083 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.310 -8.654 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.860 -8.191 2.722 1.00 0.00 H new ATOM 808 N ASN A 54 15.934 -4.919 -3.881 1.00 0.00 N ATOM 809 CA ASN A 54 16.235 -5.327 -5.247 1.00 0.00 C ATOM 810 C ASN A 54 15.590 -4.365 -6.237 1.00 0.00 C ATOM 811 O ASN A 54 15.957 -4.325 -7.411 1.00 0.00 O ATOM 812 CB ASN A 54 15.741 -6.752 -5.501 1.00 0.00 C ATOM 813 CG ASN A 54 16.367 -7.757 -4.553 1.00 0.00 C ATOM 814 OD1 ASN A 54 16.120 -8.959 -4.656 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.180 -7.267 -3.625 1.00 0.00 N ATOM 0 H ASN A 54 15.223 -5.487 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 54 17.316 -5.304 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.657 -6.782 -5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.968 -7.035 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.630 -7.894 -2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.355 -6.263 -3.578 1.00 0.00 H new ATOM 822 N LYS A 55 14.626 -3.592 -5.748 1.00 0.00 N ATOM 823 CA LYS A 55 13.925 -2.624 -6.581 1.00 0.00 C ATOM 824 C LYS A 55 12.963 -3.320 -7.535 1.00 0.00 C ATOM 825 O LYS A 55 13.113 -3.239 -8.753 1.00 0.00 O ATOM 826 CB LYS A 55 14.924 -1.781 -7.375 1.00 0.00 C ATOM 827 CG LYS A 55 15.647 -0.741 -6.532 1.00 0.00 C ATOM 828 CD LYS A 55 17.128 -0.682 -6.870 1.00 0.00 C ATOM 829 CE LYS A 55 17.730 -2.075 -6.973 1.00 0.00 C ATOM 830 NZ LYS A 55 19.196 -2.066 -6.711 1.00 0.00 N ATOM 0 H LYS A 55 14.313 -3.618 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 55 13.350 -1.971 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.660 -2.441 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.398 -1.278 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.196 0.238 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.523 -0.977 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.267 -0.154 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.655 -0.112 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.238 -2.737 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.541 -2.480 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.569 -3.034 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.669 -1.454 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.375 -1.704 -5.753 1.00 0.00 H new ATOM 844 N GLY A 56 11.969 -4.000 -6.970 1.00 0.00 N ATOM 845 CA GLY A 56 10.992 -4.694 -7.784 1.00 0.00 C ATOM 846 C GLY A 56 10.354 -3.779 -8.805 1.00 0.00 C ATOM 847 O GLY A 56 10.986 -3.407 -9.795 1.00 0.00 O ATOM 0 H GLY A 56 11.825 -4.082 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.473 -5.528 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.219 -5.116 -7.142 1.00 0.00 H new ATOM 851 N ILE A 57 9.104 -3.400 -8.564 1.00 0.00 N ATOM 852 CA ILE A 57 8.404 -2.507 -9.473 1.00 0.00 C ATOM 853 C ILE A 57 7.328 -1.593 -8.861 1.00 0.00 C ATOM 854 O ILE A 57 6.967 -1.869 -7.650 1.00 0.00 O ATOM 855 CB ILE A 57 7.671 -3.276 -10.579 1.00 0.00 C ATOM 856 CG1 ILE A 57 8.015 -2.666 -11.924 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.171 -3.259 -10.352 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.313 -1.191 -11.840 1.00 0.00 C ATOM 0 H ILE A 57 8.560 -3.695 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 57 9.228 -1.889 -9.830 1.00 0.00 H new ATOM 0 HB ILE A 57 7.994 -4.317 -10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.879 -3.183 -12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.185 -2.825 -12.612 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.676 -3.811 -11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.943 -3.725 -9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.815 -2.229 -10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.552 -0.811 -12.833 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.441 -0.665 -11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.161 -1.029 -11.175 1.00 0.00 H new ATOM 870 N THR A 58 6.906 -0.604 -9.454 1.00 0.00 N ATOM 871 CA THR A 58 5.963 0.341 -8.881 1.00 0.00 C ATOM 872 C THR A 58 4.560 -0.245 -8.846 1.00 0.00 C ATOM 873 O THR A 58 3.951 -0.505 -9.885 1.00 0.00 O ATOM 874 CB THR A 58 5.964 1.641 -9.688 1.00 0.00 C ATOM 875 OG1 THR A 58 6.145 2.762 -8.856 1.00 0.00 O ATOM 876 CG2 THR A 58 4.649 1.914 -10.387 1.00 0.00 C ATOM 0 H THR A 58 7.188 -0.367 -10.405 1.00 0.00 H new ATOM 0 HA THR A 58 6.273 0.553 -7.858 1.00 0.00 H new ATOM 0 HB THR A 58 6.773 1.502 -10.405 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.888 2.595 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.719 2.850 -10.940 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.428 1.100 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.852 1.988 -9.647 1.00 0.00 H new ATOM 884 N TRP A 59 4.059 -0.448 -7.639 1.00 0.00 N ATOM 885 CA TRP A 59 2.729 -1.005 -7.436 1.00 0.00 C ATOM 886 C TRP A 59 1.654 -0.038 -7.921 1.00 0.00 C ATOM 887 O TRP A 59 1.413 1.002 -7.306 1.00 0.00 O ATOM 888 CB TRP A 59 2.526 -1.328 -5.956 1.00 0.00 C ATOM 889 CG TRP A 59 3.818 -1.498 -5.217 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.623 -0.506 -4.737 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.461 -2.734 -4.886 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.728 -1.050 -4.129 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.651 -2.417 -4.205 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.146 -4.081 -5.099 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.526 -3.394 -3.737 1.00 0.00 C ATOM 896 CZ3 TRP A 59 5.014 -5.048 -4.631 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.192 -4.701 -3.960 1.00 0.00 C ATOM 0 H TRP A 59 4.558 -0.233 -6.776 1.00 0.00 H new ATOM 0 HA TRP A 59 2.643 -1.922 -8.018 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.949 -0.529 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.938 -2.241 -5.865 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.421 0.551 -4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.484 -0.523 -3.692 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.241 -4.359 -5.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.435 -3.129 -3.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.779 -6.091 -4.786 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.851 -5.482 -3.611 1.00 0.00 H new ATOM 908 N LYS A 60 1.012 -0.393 -9.027 1.00 0.00 N ATOM 909 CA LYS A 60 -0.042 0.433 -9.607 1.00 0.00 C ATOM 910 C LYS A 60 -1.413 -0.145 -9.283 1.00 0.00 C ATOM 911 O LYS A 60 -1.521 -1.246 -8.747 1.00 0.00 O ATOM 912 CB LYS A 60 0.144 0.541 -11.122 1.00 0.00 C ATOM 913 CG LYS A 60 -1.079 0.122 -11.924 1.00 0.00 C ATOM 914 CD LYS A 60 -1.918 1.321 -12.332 1.00 0.00 C ATOM 915 CE LYS A 60 -2.373 1.215 -13.778 1.00 0.00 C ATOM 916 NZ LYS A 60 -1.902 2.369 -14.593 1.00 0.00 N ATOM 0 H LYS A 60 1.203 -1.252 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 60 0.022 1.431 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.397 1.571 -11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.991 -0.077 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.762 -0.421 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.686 -0.563 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.788 1.396 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.339 2.235 -12.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.997 0.288 -14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.461 1.165 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.233 2.260 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.281 3.252 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.863 2.402 -14.580 1.00 0.00 H new ATOM 930 N GLU A 61 -2.462 0.604 -9.604 1.00 0.00 N ATOM 931 CA GLU A 61 -3.826 0.159 -9.341 1.00 0.00 C ATOM 932 C GLU A 61 -4.139 -1.130 -10.102 1.00 0.00 C ATOM 933 O GLU A 61 -4.521 -2.135 -9.504 1.00 0.00 O ATOM 934 CB GLU A 61 -4.823 1.250 -9.732 1.00 0.00 C ATOM 935 CG GLU A 61 -5.860 1.539 -8.658 1.00 0.00 C ATOM 936 CD GLU A 61 -7.275 1.253 -9.120 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.184 2.029 -8.766 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.474 0.248 -9.838 1.00 0.00 O ATOM 0 H GLU A 61 -2.395 1.521 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.915 -0.042 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.277 2.167 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.334 0.953 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.641 0.937 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.784 2.584 -8.357 1.00 0.00 H new ATOM 945 N GLU A 62 -3.980 -1.088 -11.421 1.00 0.00 N ATOM 946 CA GLU A 62 -4.253 -2.248 -12.266 1.00 0.00 C ATOM 947 C GLU A 62 -3.319 -3.410 -11.937 1.00 0.00 C ATOM 948 O GLU A 62 -3.749 -4.561 -11.855 1.00 0.00 O ATOM 949 CB GLU A 62 -4.111 -1.871 -13.742 1.00 0.00 C ATOM 950 CG GLU A 62 -2.699 -2.034 -14.279 1.00 0.00 C ATOM 951 CD GLU A 62 -2.557 -1.545 -15.707 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.590 -1.426 -16.399 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.414 -1.279 -16.133 1.00 0.00 O ATOM 0 H GLU A 62 -3.663 -0.263 -11.930 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.276 -2.569 -12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.789 -2.488 -14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.424 -0.836 -13.876 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.006 -1.486 -13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.415 -3.085 -14.229 1.00 0.00 H new ATOM 960 N THR A 63 -2.039 -3.104 -11.753 1.00 0.00 N ATOM 961 CA THR A 63 -1.046 -4.125 -11.438 1.00 0.00 C ATOM 962 C THR A 63 -1.350 -4.772 -10.094 1.00 0.00 C ATOM 963 O THR A 63 -1.024 -5.936 -9.862 1.00 0.00 O ATOM 964 CB THR A 63 0.357 -3.516 -11.419 1.00 0.00 C ATOM 965 OG1 THR A 63 1.202 -4.174 -12.345 1.00 0.00 O ATOM 966 CG2 THR A 63 1.021 -3.585 -10.060 1.00 0.00 C ATOM 0 H THR A 63 -1.665 -2.157 -11.817 1.00 0.00 H new ATOM 0 HA THR A 63 -1.088 -4.892 -12.212 1.00 0.00 H new ATOM 0 HB THR A 63 0.221 -2.468 -11.686 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.094 -3.769 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.013 -3.136 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.418 -3.042 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.111 -4.627 -9.752 1.00 0.00 H new ATOM 974 N LEU A 64 -1.981 -4.008 -9.212 1.00 0.00 N ATOM 975 CA LEU A 64 -2.342 -4.497 -7.889 1.00 0.00 C ATOM 976 C LEU A 64 -3.489 -5.493 -7.985 1.00 0.00 C ATOM 977 O LEU A 64 -3.552 -6.459 -7.225 1.00 0.00 O ATOM 978 CB LEU A 64 -2.736 -3.327 -6.983 1.00 0.00 C ATOM 979 CG LEU A 64 -1.688 -2.929 -5.943 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.199 -1.782 -5.085 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.320 -4.123 -5.073 1.00 0.00 C ATOM 0 H LEU A 64 -2.254 -3.042 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.477 -5.002 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.952 -2.461 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.660 -3.584 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.792 -2.595 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.441 -1.511 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.414 -0.921 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.109 -2.090 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.573 -3.822 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.210 -4.486 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.914 -4.918 -5.699 1.00 0.00 H new ATOM 993 N MET A 65 -4.393 -5.252 -8.930 1.00 0.00 N ATOM 994 CA MET A 65 -5.538 -6.132 -9.130 1.00 0.00 C ATOM 995 C MET A 65 -5.071 -7.543 -9.471 1.00 0.00 C ATOM 996 O MET A 65 -5.601 -8.525 -8.952 1.00 0.00 O ATOM 997 CB MET A 65 -6.435 -5.595 -10.247 1.00 0.00 C ATOM 998 CG MET A 65 -7.222 -4.356 -9.851 1.00 0.00 C ATOM 999 SD MET A 65 -8.092 -4.557 -8.285 1.00 0.00 S ATOM 1000 CE MET A 65 -6.831 -4.034 -7.127 1.00 0.00 C ATOM 0 H MET A 65 -4.355 -4.457 -9.567 1.00 0.00 H new ATOM 0 HA MET A 65 -6.111 -6.165 -8.204 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.820 -5.362 -11.116 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.132 -6.377 -10.550 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.543 -3.507 -9.778 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.942 -4.122 -10.635 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.261 -3.966 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.017 -4.759 -7.124 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.447 -3.058 -7.424 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.069 -7.631 -10.338 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.519 -8.920 -10.742 1.00 0.00 C ATOM 1012 C GLU A 66 -2.598 -9.466 -9.657 1.00 0.00 C ATOM 1013 O GLU A 66 -2.558 -10.671 -9.404 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.756 -8.785 -12.061 1.00 0.00 C ATOM 1015 CG GLU A 66 -1.903 -7.530 -12.143 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.073 -7.471 -13.412 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.318 -8.433 -13.672 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.179 -6.466 -14.144 1.00 0.00 O ATOM 0 H GLU A 66 -3.621 -6.826 -10.775 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.344 -9.618 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.117 -9.658 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.469 -8.784 -12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.548 -6.653 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.241 -7.488 -11.278 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.858 -8.565 -9.017 1.00 0.00 N ATOM 1026 CA TYR A 67 -0.935 -8.944 -7.953 1.00 0.00 C ATOM 1027 C TYR A 67 -1.684 -9.577 -6.787 1.00 0.00 C ATOM 1028 O TYR A 67 -1.108 -10.333 -6.002 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.160 -7.716 -7.470 1.00 0.00 C ATOM 1030 CG TYR A 67 0.196 -7.765 -6.002 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.429 -8.245 -5.581 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.703 -7.329 -5.036 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.758 -8.289 -4.238 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.382 -7.369 -3.692 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.848 -7.851 -3.299 1.00 0.00 C ATOM 1036 OH TYR A 67 1.173 -7.892 -1.963 1.00 0.00 O ATOM 0 H TYR A 67 -1.880 -7.565 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.234 -9.678 -8.352 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.755 -7.621 -8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.755 -6.823 -7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.143 -8.590 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.668 -6.953 -5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.722 -8.664 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.091 -7.024 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 67 0.424 -7.547 -1.433 1.00 0.00 H new ATOM 1046 N LEU A 68 -2.970 -9.261 -6.677 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.801 -9.798 -5.607 1.00 0.00 C ATOM 1048 C LEU A 68 -3.886 -11.318 -5.693 1.00 0.00 C ATOM 1049 O LEU A 68 -4.274 -11.984 -4.735 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.204 -9.193 -5.669 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.328 -7.782 -5.089 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.698 -7.199 -5.398 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.078 -7.799 -3.591 1.00 0.00 C ATOM 0 H LEU A 68 -3.459 -8.635 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.340 -9.532 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.528 -9.171 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.890 -9.850 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.573 -7.149 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.769 -6.195 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.838 -7.152 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.470 -7.831 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.170 -6.788 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.810 -8.446 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.074 -8.176 -3.394 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.516 -11.861 -6.849 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.548 -13.302 -7.062 1.00 0.00 C ATOM 1067 C GLU A 69 -2.622 -14.017 -6.082 1.00 0.00 C ATOM 1068 O GLU A 69 -3.071 -14.565 -5.076 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.146 -13.635 -8.500 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.049 -14.661 -9.162 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.654 -14.944 -10.600 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.596 -14.444 -11.033 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.403 -15.668 -11.289 1.00 0.00 O ATOM 0 H GLU A 69 -3.191 -11.323 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.567 -13.648 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.155 -12.720 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.122 -14.008 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.018 -15.589 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.079 -14.305 -9.135 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.328 -14.007 -6.386 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.339 -14.652 -5.533 1.00 0.00 C ATOM 1082 C ASN A 70 0.654 -13.633 -4.984 1.00 0.00 C ATOM 1083 O ASN A 70 1.668 -13.335 -5.613 1.00 0.00 O ATOM 1084 CB ASN A 70 0.407 -15.737 -6.313 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.350 -17.052 -6.340 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.342 -17.805 -5.366 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.007 -17.333 -7.460 1.00 0.00 N ATOM 0 H ASN A 70 -0.941 -13.559 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.863 -15.110 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.575 -15.396 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.388 -15.894 -5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.533 -18.203 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.985 -16.678 -8.242 1.00 0.00 H new ATOM 1094 N PRO A 71 0.368 -13.083 -3.794 1.00 0.00 N ATOM 1095 CA PRO A 71 1.234 -12.090 -3.150 1.00 0.00 C ATOM 1096 C PRO A 71 2.686 -12.552 -3.076 1.00 0.00 C ATOM 1097 O PRO A 71 3.610 -11.740 -3.136 1.00 0.00 O ATOM 1098 CB PRO A 71 0.640 -11.960 -1.746 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.791 -12.343 -1.905 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.824 -13.389 -2.984 1.00 0.00 C ATOM 0 HA PRO A 71 1.262 -11.151 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.149 -12.614 -1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.738 -10.943 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.196 -12.733 -0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.397 -11.480 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.780 -14.396 -2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.738 -13.328 -3.575 1.00 0.00 H new ATOM 1108 N LYS A 72 2.880 -13.859 -2.944 1.00 0.00 N ATOM 1109 CA LYS A 72 4.219 -14.430 -2.862 1.00 0.00 C ATOM 1110 C LYS A 72 4.847 -14.543 -4.246 1.00 0.00 C ATOM 1111 O LYS A 72 6.070 -14.579 -4.383 1.00 0.00 O ATOM 1112 CB LYS A 72 4.169 -15.807 -2.196 1.00 0.00 C ATOM 1113 CG LYS A 72 4.631 -16.937 -3.104 1.00 0.00 C ATOM 1114 CD LYS A 72 6.136 -17.130 -3.029 1.00 0.00 C ATOM 1115 CE LYS A 72 6.798 -16.868 -4.373 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.624 -18.023 -4.820 1.00 0.00 N ATOM 0 H LYS A 72 2.126 -14.544 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 72 4.835 -13.765 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.792 -15.792 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.148 -16.007 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.130 -17.862 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.341 -16.721 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.553 -16.458 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.358 -18.147 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.032 -16.659 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.425 -15.979 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.058 -17.804 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.371 -18.207 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.021 -18.865 -4.913 1.00 0.00 H new ATOM 1130 N LYS A 73 4.003 -14.600 -5.271 1.00 0.00 N ATOM 1131 CA LYS A 73 4.475 -14.708 -6.645 1.00 0.00 C ATOM 1132 C LYS A 73 5.140 -13.411 -7.096 1.00 0.00 C ATOM 1133 O LYS A 73 6.054 -13.426 -7.921 1.00 0.00 O ATOM 1134 CB LYS A 73 3.312 -15.049 -7.581 1.00 0.00 C ATOM 1135 CG LYS A 73 2.554 -13.829 -8.080 1.00 0.00 C ATOM 1136 CD LYS A 73 3.062 -13.378 -9.441 1.00 0.00 C ATOM 1137 CE LYS A 73 3.314 -14.560 -10.362 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.176 -15.521 -10.358 1.00 0.00 N ATOM 0 H LYS A 73 2.988 -14.573 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 73 5.214 -15.508 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.696 -15.603 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.619 -15.709 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.491 -14.061 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.659 -13.015 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.334 -12.708 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.984 -12.810 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.481 -14.200 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.224 -15.074 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.009 -15.865 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.403 -16.325 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.321 -15.045 -10.008 1.00 0.00 H new ATOM 1152 N TYR A 74 4.678 -12.292 -6.548 1.00 0.00 N ATOM 1153 CA TYR A 74 5.231 -10.987 -6.895 1.00 0.00 C ATOM 1154 C TYR A 74 6.511 -10.714 -6.109 1.00 0.00 C ATOM 1155 O TYR A 74 7.500 -10.238 -6.665 1.00 0.00 O ATOM 1156 CB TYR A 74 4.204 -9.886 -6.625 1.00 0.00 C ATOM 1157 CG TYR A 74 3.390 -9.508 -7.841 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.398 -10.350 -8.328 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.614 -8.307 -8.503 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.652 -10.007 -9.438 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.871 -7.956 -9.615 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.892 -8.810 -10.078 1.00 0.00 C ATOM 1163 OH TYR A 74 1.152 -8.464 -11.185 1.00 0.00 O ATOM 0 H TYR A 74 3.923 -12.262 -5.863 1.00 0.00 H new ATOM 0 HA TYR A 74 5.473 -10.992 -7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.530 -10.215 -5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.721 -9.001 -6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.207 -11.289 -7.830 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.381 -7.637 -8.143 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.884 -10.673 -9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.056 -7.018 -10.118 1.00 0.00 H new ATOM 0 HH TYR A 74 1.447 -7.590 -11.515 1.00 0.00 H new ATOM 1173 N ILE A 75 6.484 -11.019 -4.816 1.00 0.00 N ATOM 1174 CA ILE A 75 7.644 -10.808 -3.957 1.00 0.00 C ATOM 1175 C ILE A 75 7.917 -12.035 -3.095 1.00 0.00 C ATOM 1176 O ILE A 75 7.571 -12.067 -1.916 1.00 0.00 O ATOM 1177 CB ILE A 75 7.451 -9.584 -3.042 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.519 -8.293 -3.860 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.502 -9.576 -1.942 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.574 -8.317 -4.942 1.00 0.00 C ATOM 0 H ILE A 75 5.672 -11.413 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 75 8.496 -10.630 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 75 6.467 -9.646 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.546 -8.110 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.718 -7.458 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.353 -8.705 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.411 -10.484 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.496 -9.533 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.564 -7.369 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.555 -8.468 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.365 -9.131 -5.636 1.00 0.00 H new ATOM 1192 N PRO A 76 8.543 -13.065 -3.683 1.00 0.00 N ATOM 1193 CA PRO A 76 8.868 -14.308 -2.974 1.00 0.00 C ATOM 1194 C PRO A 76 9.750 -14.065 -1.755 1.00 0.00 C ATOM 1195 O PRO A 76 10.732 -13.325 -1.826 1.00 0.00 O ATOM 1196 CB PRO A 76 9.619 -15.138 -4.021 1.00 0.00 C ATOM 1197 CG PRO A 76 9.216 -14.561 -5.334 1.00 0.00 C ATOM 1198 CD PRO A 76 8.982 -13.099 -5.086 1.00 0.00 C ATOM 0 HA PRO A 76 7.975 -14.798 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.697 -15.073 -3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.351 -16.192 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.995 -14.711 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.314 -15.042 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.889 -12.514 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.224 -12.693 -5.756 1.00 0.00 H new ATOM 1206 N GLY A 77 9.397 -14.695 -0.640 1.00 0.00 N ATOM 1207 CA GLY A 77 10.171 -14.535 0.576 1.00 0.00 C ATOM 1208 C GLY A 77 9.474 -13.660 1.601 1.00 0.00 C ATOM 1209 O GLY A 77 9.822 -13.683 2.781 1.00 0.00 O ATOM 0 H GLY A 77 8.590 -15.313 -0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.363 -15.516 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.140 -14.100 0.331 1.00 0.00 H new ATOM 1213 N THR A 78 8.492 -12.887 1.151 1.00 0.00 N ATOM 1214 CA THR A 78 7.752 -12.002 2.045 1.00 0.00 C ATOM 1215 C THR A 78 6.410 -12.614 2.433 1.00 0.00 C ATOM 1216 O THR A 78 5.628 -13.019 1.575 1.00 0.00 O ATOM 1217 CB THR A 78 7.530 -10.642 1.379 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.844 -9.591 2.275 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.108 -10.432 0.907 1.00 0.00 C ATOM 0 H THR A 78 8.190 -12.854 0.177 1.00 0.00 H new ATOM 0 HA THR A 78 8.343 -11.866 2.951 1.00 0.00 H new ATOM 0 HB THR A 78 8.189 -10.633 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.043 -9.343 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.020 -9.449 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.849 -11.200 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.429 -10.495 1.757 1.00 0.00 H new ATOM 1227 N LYS A 79 6.153 -12.676 3.736 1.00 0.00 N ATOM 1228 CA LYS A 79 4.905 -13.237 4.244 1.00 0.00 C ATOM 1229 C LYS A 79 3.994 -12.137 4.777 1.00 0.00 C ATOM 1230 O LYS A 79 4.454 -11.194 5.422 1.00 0.00 O ATOM 1231 CB LYS A 79 5.194 -14.257 5.347 1.00 0.00 C ATOM 1232 CG LYS A 79 4.097 -15.297 5.514 1.00 0.00 C ATOM 1233 CD LYS A 79 3.482 -15.676 4.177 1.00 0.00 C ATOM 1234 CE LYS A 79 4.544 -16.101 3.176 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.424 -17.172 3.719 1.00 0.00 N ATOM 0 H LYS A 79 6.792 -12.345 4.459 1.00 0.00 H new ATOM 0 HA LYS A 79 4.396 -13.738 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.133 -14.764 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.331 -13.730 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.507 -16.186 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.323 -14.908 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.770 -16.488 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.924 -14.829 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.062 -16.455 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.150 -15.238 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.816 -17.730 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.201 -16.742 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.870 -17.793 4.343 1.00 0.00 H new ATOM 1249 N MET A 80 2.736 -12.250 4.597 1.00 0.00 N ATOM 1250 CA MET A 80 1.820 -11.247 5.131 1.00 0.00 C ATOM 1251 C MET A 80 1.106 -11.767 6.373 1.00 0.00 C ATOM 1252 O MET A 80 0.285 -12.681 6.294 1.00 0.00 O ATOM 1253 CB MET A 80 0.795 -10.847 4.069 1.00 0.00 C ATOM 1254 CG MET A 80 0.096 -9.530 4.365 1.00 0.00 C ATOM 1255 SD MET A 80 0.996 -8.107 3.721 1.00 0.00 S ATOM 1256 CE MET A 80 1.411 -8.682 2.077 1.00 0.00 C ATOM 0 H MET A 80 2.290 -13.014 4.089 1.00 0.00 H new ATOM 0 HA MET A 80 2.404 -10.371 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.294 -10.775 3.103 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.047 -11.635 3.983 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.904 -9.549 3.932 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.025 -9.421 5.443 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.469 -7.831 1.398 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.374 -9.192 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.643 -9.373 1.729 1.00 0.00 H new ATOM 1266 N ILE A 81 1.426 -11.179 7.523 1.00 0.00 N ATOM 1267 CA ILE A 81 0.820 -11.499 8.823 1.00 0.00 C ATOM 1268 C ILE A 81 -0.212 -10.522 9.278 1.00 0.00 C ATOM 1269 O ILE A 81 0.136 -9.344 9.344 1.00 0.00 O ATOM 1270 CB ILE A 81 1.756 -11.556 9.929 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.769 -12.650 9.584 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.166 -11.804 11.305 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.913 -12.163 8.731 1.00 0.00 C ATOM 0 H ILE A 81 2.133 -10.446 7.583 1.00 0.00 H new ATOM 0 HA ILE A 81 0.390 -12.477 8.608 1.00 0.00 H new ATOM 0 HB ILE A 81 2.196 -10.564 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.168 -13.069 10.508 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.256 -13.458 9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.966 -11.825 12.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.465 -11.006 11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.643 -12.760 11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.592 -12.991 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.525 -11.770 7.791 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.451 -11.375 9.259 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.537 -10.899 9.718 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.611 -10.022 10.180 1.00 0.00 C ATOM 1287 C PHE A 82 -3.473 -9.580 9.000 1.00 0.00 C ATOM 1288 O PHE A 82 -3.091 -9.744 7.841 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.023 -8.800 10.882 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.965 -8.161 11.863 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.018 -8.597 13.178 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.799 -7.126 11.469 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.882 -8.010 14.081 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.669 -6.538 12.369 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.709 -6.981 13.679 1.00 0.00 C ATOM 0 H PHE A 82 -1.823 -11.878 9.733 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.234 -10.571 10.886 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.112 -9.094 11.404 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.737 -8.063 10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.377 -9.404 13.499 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.769 -6.775 10.448 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.911 -8.357 15.103 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.316 -5.734 12.050 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.386 -6.523 14.385 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.639 -9.021 9.308 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.559 -8.553 8.279 1.00 0.00 C ATOM 1307 C ALA A 83 -7.006 -8.818 8.676 1.00 0.00 C ATOM 1308 O ALA A 83 -7.566 -9.867 8.358 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.246 -9.221 6.947 1.00 0.00 C ATOM 0 H ALA A 83 -4.969 -8.881 10.263 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.429 -7.476 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.941 -8.862 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.226 -8.978 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.347 -10.302 7.049 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.611 -7.861 9.375 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.985 -8.013 9.805 1.00 0.00 C ATOM 1317 C GLY A 84 -9.977 -7.709 8.702 1.00 0.00 C ATOM 1318 O GLY A 84 -11.167 -7.529 8.953 1.00 0.00 O ATOM 0 H GLY A 84 -7.171 -6.983 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.141 -9.032 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.173 -7.351 10.650 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.482 -7.655 7.469 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.329 -7.373 6.316 1.00 0.00 C ATOM 1324 C ILE A 85 -10.071 -8.369 5.190 1.00 0.00 C ATOM 1325 O ILE A 85 -8.949 -8.837 5.008 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.102 -5.946 5.783 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.440 -4.915 6.864 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.939 -5.707 4.536 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.686 -4.111 6.563 1.00 0.00 C ATOM 0 H ILE A 85 -8.498 -7.803 7.243 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.361 -7.465 6.654 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.051 -5.836 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.570 -5.429 7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.597 -4.234 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.768 -4.694 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.656 -6.423 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.995 -5.832 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.865 -3.401 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.552 -3.569 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.540 -4.783 6.475 1.00 0.00 H new ATOM 1341 N LYS A 86 -11.119 -8.684 4.436 1.00 0.00 N ATOM 1342 CA LYS A 86 -11.005 -9.622 3.325 1.00 0.00 C ATOM 1343 C LYS A 86 -12.006 -9.284 2.228 1.00 0.00 C ATOM 1344 O LYS A 86 -11.692 -9.368 1.040 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.228 -11.053 3.815 1.00 0.00 C ATOM 1346 CG LYS A 86 -12.188 -11.154 4.988 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.515 -11.757 6.209 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.199 -11.320 7.494 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.264 -11.331 8.654 1.00 0.00 N ATOM 0 H LYS A 86 -12.056 -8.304 4.574 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.000 -9.541 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.611 -11.654 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.269 -11.482 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.569 -10.163 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.046 -11.764 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.534 -12.844 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.467 -11.458 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.606 -10.317 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.041 -11.981 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.770 -11.027 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.895 -12.293 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.474 -10.681 8.469 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.207 -8.899 2.635 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.255 -8.544 1.690 1.00 0.00 C ATOM 1365 C LYS A 87 -13.672 -7.837 0.472 1.00 0.00 C ATOM 1366 O LYS A 87 -13.109 -6.748 0.585 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.287 -7.646 2.371 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.711 -8.158 2.248 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.278 -8.555 3.601 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.549 -9.373 3.454 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.371 -10.511 2.511 1.00 0.00 N ATOM 0 H LYS A 87 -13.480 -8.825 3.615 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.740 -9.461 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.034 -7.551 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.230 -6.647 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.339 -7.387 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.734 -9.016 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.535 -9.131 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.486 -7.659 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.850 -9.754 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.355 -8.731 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.098 -11.232 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.463 -10.169 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.428 -10.929 2.645 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.811 -8.460 -0.693 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.298 -7.887 -1.932 1.00 0.00 C ATOM 1387 C LYS A 88 -13.749 -6.439 -2.087 1.00 0.00 C ATOM 1388 O LYS A 88 -12.994 -5.590 -2.562 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.770 -8.710 -3.132 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.311 -8.152 -4.470 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.555 -9.141 -5.598 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.663 -10.564 -5.078 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.880 -10.761 -4.245 1.00 0.00 N ATOM 0 H LYS A 88 -14.274 -9.362 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.209 -7.909 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.403 -9.731 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.859 -8.760 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.840 -7.222 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.249 -7.910 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.471 -8.875 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.742 -9.078 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.683 -11.257 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.778 -10.803 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.601 -10.940 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.472 -9.907 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.419 -11.574 -4.605 1.00 0.00 H new ATOM 1407 N THR A 89 -14.984 -6.164 -1.682 1.00 0.00 N ATOM 1408 CA THR A 89 -15.538 -4.819 -1.776 1.00 0.00 C ATOM 1409 C THR A 89 -14.850 -3.874 -0.796 1.00 0.00 C ATOM 1410 O THR A 89 -14.729 -2.677 -1.054 1.00 0.00 O ATOM 1411 CB THR A 89 -17.042 -4.847 -1.501 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.300 -4.720 -0.114 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.713 -6.117 -1.978 1.00 0.00 C ATOM 0 H THR A 89 -15.621 -6.855 -1.285 1.00 0.00 H new ATOM 0 HA THR A 89 -15.364 -4.452 -2.788 1.00 0.00 H new ATOM 0 HB THR A 89 -17.454 -4.006 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.267 -4.738 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.778 -6.072 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.574 -6.220 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.270 -6.975 -1.471 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.396 -4.422 0.325 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.714 -3.629 1.342 1.00 0.00 C ATOM 1423 C GLU A 90 -12.306 -3.280 0.883 1.00 0.00 C ATOM 1424 O GLU A 90 -11.876 -2.129 0.973 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.659 -4.393 2.667 1.00 0.00 C ATOM 1426 CG GLU A 90 -15.021 -4.856 3.159 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.616 -3.919 4.192 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.141 -2.856 3.797 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.557 -4.247 5.396 1.00 0.00 O ATOM 0 H GLU A 90 -14.488 -5.412 0.553 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.274 -2.706 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.010 -5.261 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.205 -3.756 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.702 -4.936 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.928 -5.853 3.589 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.598 -4.284 0.382 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.241 -4.100 -0.106 1.00 0.00 C ATOM 1438 C ARG A 91 -10.216 -3.123 -1.277 1.00 0.00 C ATOM 1439 O ARG A 91 -9.445 -2.164 -1.282 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.516 -5.364 -0.570 1.00 0.00 C ATOM 1441 CG ARG A 91 -9.128 -6.293 0.566 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.773 -6.936 0.319 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.814 -8.386 0.494 1.00 0.00 N ATOM 1444 CZ ARG A 91 -7.022 -9.228 -0.158 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -6.131 -8.767 -1.026 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -7.119 -10.533 0.055 1.00 0.00 N ATOM 0 H ARG A 91 -11.946 -5.240 0.304 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.713 -3.727 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.156 -5.904 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.618 -5.078 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.102 -5.735 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.885 -7.069 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.440 -6.702 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.039 -6.509 1.003 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.489 -8.773 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.054 -7.764 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.523 -9.416 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.803 -10.892 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.509 -11.178 -0.447 1.00 0.00 H new ATOM 1460 N GLU A 92 -11.068 -3.372 -2.265 1.00 0.00 N ATOM 1461 CA GLU A 92 -11.145 -2.515 -3.442 1.00 0.00 C ATOM 1462 C GLU A 92 -11.494 -1.084 -3.048 1.00 0.00 C ATOM 1463 O GLU A 92 -10.955 -0.126 -3.608 1.00 0.00 O ATOM 1464 CB GLU A 92 -12.187 -3.054 -4.424 1.00 0.00 C ATOM 1465 CG GLU A 92 -12.122 -2.405 -5.797 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.817 -2.693 -6.515 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -10.053 -3.556 -6.035 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.561 -2.057 -7.559 1.00 0.00 O ATOM 0 H GLU A 92 -11.715 -4.160 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.168 -2.513 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.049 -4.130 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.182 -2.901 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.954 -2.763 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.245 -1.327 -5.692 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.392 -0.942 -2.078 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.805 0.376 -1.609 1.00 0.00 C ATOM 1477 C ASP A 93 -11.606 1.159 -1.090 1.00 0.00 C ATOM 1478 O ASP A 93 -11.414 2.326 -1.435 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.860 0.243 -0.509 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.079 1.542 0.242 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.530 1.487 1.405 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.801 2.615 -0.335 1.00 0.00 O ATOM 0 H ASP A 93 -12.847 -1.721 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.238 0.918 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.802 -0.082 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.553 -0.532 0.193 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.793 0.506 -0.266 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.616 1.154 0.279 1.00 0.00 C ATOM 1489 C GLY A 94 -8.674 1.621 -0.812 1.00 0.00 C ATOM 1490 O GLY A 94 -8.042 2.669 -0.691 1.00 0.00 O ATOM 0 H GLY A 94 -10.929 -0.460 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.919 2.007 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.093 0.462 0.939 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.587 0.838 -1.883 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.723 1.171 -3.004 1.00 0.00 C ATOM 1496 C ILE A 95 -8.135 2.496 -3.637 1.00 0.00 C ATOM 1497 O ILE A 95 -7.284 3.297 -4.017 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.747 0.062 -4.068 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.640 -0.949 -3.789 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.606 0.645 -5.467 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.475 -1.976 -4.880 1.00 0.00 C ATOM 0 H ILE A 95 -9.106 -0.033 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.709 1.265 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.709 -0.447 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.698 -0.417 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.853 -1.459 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.626 -0.161 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.430 1.332 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.661 1.182 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.671 -2.662 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.404 -2.534 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.231 -1.475 -5.817 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.441 2.727 -3.733 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.945 3.969 -4.306 1.00 0.00 C ATOM 1515 C ALA A 96 -9.382 5.160 -3.542 1.00 0.00 C ATOM 1516 O ALA A 96 -8.865 6.110 -4.135 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.467 3.986 -4.280 1.00 0.00 C ATOM 0 H ALA A 96 -10.163 2.076 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.621 4.036 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.828 4.920 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.850 3.146 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.814 3.904 -3.250 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.466 5.087 -2.218 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.944 6.146 -1.366 1.00 0.00 C ATOM 1525 C TYR A 97 -7.447 6.304 -1.602 1.00 0.00 C ATOM 1526 O TYR A 97 -6.921 7.415 -1.605 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.215 5.830 0.107 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.437 6.702 1.067 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.875 6.167 2.220 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.268 8.058 0.821 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.165 6.962 3.100 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.558 8.858 1.697 1.00 0.00 C ATOM 1533 CZ TYR A 97 -7.010 8.305 2.835 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.303 9.098 3.709 1.00 0.00 O ATOM 0 H TYR A 97 -9.889 4.308 -1.714 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.447 7.080 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.280 5.947 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.969 4.785 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.995 5.115 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.698 8.495 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.733 6.532 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.433 9.911 1.491 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.286 10.019 3.375 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.776 5.176 -1.809 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.338 5.168 -2.060 1.00 0.00 C ATOM 1546 C LEU A 98 -5.013 5.916 -3.348 1.00 0.00 C ATOM 1547 O LEU A 98 -3.979 6.573 -3.453 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.833 3.728 -2.157 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.613 3.405 -1.295 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.382 1.903 -1.240 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.378 4.118 -1.829 1.00 0.00 C ATOM 0 H LEU A 98 -7.207 4.251 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.840 5.670 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.644 3.056 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.589 3.515 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.803 3.760 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.509 1.691 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.257 1.416 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.213 1.524 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.519 3.876 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.184 3.794 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.545 5.195 -1.815 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.906 5.808 -4.328 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.717 6.469 -5.612 1.00 0.00 C ATOM 1565 C LYS A 99 -5.590 7.976 -5.431 1.00 0.00 C ATOM 1566 O LYS A 99 -4.724 8.612 -6.034 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.881 6.154 -6.552 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.238 4.677 -6.606 1.00 0.00 C ATOM 1569 CD LYS A 99 -6.042 3.831 -7.012 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.238 3.387 -5.801 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.280 1.909 -5.618 1.00 0.00 N ATOM 0 H LYS A 99 -6.768 5.268 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.794 6.092 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.757 6.719 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.629 6.495 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.600 4.353 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.051 4.524 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.385 2.956 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.403 4.402 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.203 3.710 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.628 3.875 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.246 1.684 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.159 1.533 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.464 1.477 -6.096 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.455 8.544 -4.597 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.430 9.980 -4.341 1.00 0.00 C ATOM 1587 C LYS A 100 -5.291 10.339 -3.390 1.00 0.00 C ATOM 1588 O LYS A 100 -4.640 11.395 -3.535 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.765 10.430 -3.746 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.617 11.352 -2.545 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.963 11.659 -1.910 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.978 12.110 -2.946 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.731 13.509 -3.394 1.00 0.00 N ATOM 0 H LYS A 100 -7.179 8.035 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.267 10.495 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.343 10.941 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.336 9.550 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.963 10.888 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.139 12.281 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.335 10.772 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.842 12.436 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.940 11.441 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.982 12.035 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.774 13.554 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.456 14.136 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.791 13.816 -3.073 1.00 0.00 H new ATOM 1607 N ALA A 101 -5.064 9.438 -2.427 1.00 0.00 N ATOM 1608 CA ALA A 101 -4.020 9.590 -1.418 1.00 0.00 C ATOM 1609 C ALA A 101 -2.655 9.735 -2.059 1.00 0.00 C ATOM 1610 O ALA A 101 -1.758 10.368 -1.502 1.00 0.00 O ATOM 1611 CB ALA A 101 -4.034 8.412 -0.457 1.00 0.00 C ATOM 0 H ALA A 101 -5.605 8.579 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.226 10.502 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.250 8.541 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.002 8.360 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.860 7.489 -1.010 1.00 0.00 H new ATOM 1617 N THR A 102 -2.510 9.172 -3.247 1.00 0.00 N ATOM 1618 CA THR A 102 -1.260 9.273 -3.973 1.00 0.00 C ATOM 1619 C THR A 102 -1.442 10.337 -5.031 1.00 0.00 C ATOM 1620 O THR A 102 -0.488 10.977 -5.472 1.00 0.00 O ATOM 1621 CB THR A 102 -0.891 7.933 -4.612 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.032 8.118 -5.671 1.00 0.00 O ATOM 1623 CG2 THR A 102 -2.086 7.189 -5.171 1.00 0.00 C ATOM 0 H THR A 102 -3.240 8.643 -3.725 1.00 0.00 H new ATOM 0 HA THR A 102 -0.447 9.538 -3.297 1.00 0.00 H new ATOM 0 HB THR A 102 -0.455 7.340 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.002 7.343 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.756 6.247 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.796 6.986 -4.369 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.567 7.797 -5.937 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.706 10.569 -5.369 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.062 11.616 -6.304 1.00 0.00 C ATOM 1633 C ASN A 103 -4.509 12.056 -6.088 1.00 0.00 C ATOM 1634 O ASN A 103 -5.444 11.318 -6.387 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.871 11.133 -7.744 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.823 10.043 -7.853 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -0.665 10.309 -8.171 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -2.229 8.806 -7.590 1.00 0.00 N ATOM 0 H ASN A 103 -3.499 10.041 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.407 12.469 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.820 10.760 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.582 11.976 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.570 8.030 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.200 8.632 -7.330 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.676 13.273 -5.594 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.997 13.845 -5.351 1.00 0.00 C ATOM 1647 C GLU A 104 -5.941 14.879 -4.230 1.00 0.00 C ATOM 1648 O GLU A 104 -6.289 16.050 -4.490 1.00 0.00 O ATOM 1649 CB GLU A 104 -7.000 12.752 -4.995 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.673 12.127 -6.207 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.106 12.590 -6.380 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.335 13.537 -7.164 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -10.000 12.008 -5.733 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.550 14.510 -3.103 1.00 0.00 O ATOM 0 H GLU A 104 -3.904 13.893 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.322 14.338 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.490 11.972 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.765 13.171 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.104 12.376 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.655 11.042 -6.109 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.790 -4.859 3.290 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.558 -4.949 1.336 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.157 -3.121 1.054 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.106 -5.720 4.799 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.525 -6.002 5.873 1.00 0.00 C HETATM 1667 NA HEC A 201 2.249 -4.367 1.443 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.510 -4.149 0.992 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.601 -2.965 0.171 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.362 -2.440 0.125 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.515 -3.310 0.912 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.943 -1.181 -0.614 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.845 -2.413 -0.508 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.648 -0.988 -0.998 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.984 -0.397 -1.416 1.00 0.00 C HETATM 1676 O1A HEC A 201 6.174 0.780 -1.156 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.770 -1.141 -1.980 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.101 -4.559 2.929 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.609 -3.702 2.013 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.025 -3.474 2.202 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.393 -4.248 3.342 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.180 -4.882 3.717 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.931 -2.583 1.369 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.781 -4.331 3.918 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.956 -4.238 2.919 1.00 0.00 C HETATM 1686 NC HEC A 201 1.314 -5.618 5.026 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.060 -6.029 5.451 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.138 -6.832 6.656 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.522 -6.921 6.955 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.161 -6.165 5.953 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.016 -7.461 7.429 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.125 -7.619 8.104 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.504 -9.062 8.396 1.00 0.00 C HETATM 1694 ND HEC A 201 3.671 -5.384 3.558 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.245 -5.862 4.711 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.639 -6.173 4.547 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.927 -5.876 3.268 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.724 -5.382 2.632 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.584 -6.723 5.606 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.252 -6.002 2.520 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.155 -6.858 1.268 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.757 -7.458 1.139 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.306 -7.574 0.012 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.193 -7.777 2.176 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.640 -6.025 6.442 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.213 -7.685 5.961 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.577 -6.854 5.175 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.694 -6.679 7.770 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.555 -8.151 6.780 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.625 -8.003 8.290 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.567 -1.556 1.408 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.931 -2.929 0.335 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.946 -2.624 1.765 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.504 -0.329 -0.229 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.147 -1.299 -1.678 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.877 -1.010 -0.466 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.381 -6.254 0.389 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.897 -7.655 1.307 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.615 -9.690 8.338 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.236 -9.401 7.663 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.933 -9.130 9.396 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.912 -3.284 2.393 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.887 -5.053 2.199 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.900 -4.311 3.460 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.956 -0.976 -1.840 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.202 -0.381 -0.210 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.603 -5.007 2.246 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.999 -6.430 3.188 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.681 -2.443 0.190 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 5.110 -3.052 -1.351 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.081 -5.982 6.810 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.030 -6.168 5.163 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.338 -2.457 0.345 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.276 -5.251 0.573 1.00 0.00 H new