USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.0683 K(o=-0.62,f=-4.9!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 TYR OH : rot 26:sc= 1.01 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -115:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 51 ASN : amide:sc= -0.0464 K(o=-0.046,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-1.1) USER MOD Single : A 73 MET CE :methyl -174:sc= -0.673 (180deg=-0.902) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0419) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.800 -5.134 -8.776 1.00 0.00 N ATOM 60 CA GLY A 7 -6.623 -4.559 -8.154 1.00 0.00 C ATOM 61 C GLY A 7 -6.197 -3.260 -8.809 1.00 0.00 C ATOM 62 O GLY A 7 -5.692 -3.259 -9.932 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.825 -4.381 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.802 -5.275 -8.206 1.00 0.00 H new ATOM 66 N ARG A 8 -6.402 -2.150 -8.107 1.00 0.00 N ATOM 67 CA ARG A 8 -6.038 -0.838 -8.629 1.00 0.00 C ATOM 68 C ARG A 8 -4.576 -0.520 -8.330 1.00 0.00 C ATOM 69 O ARG A 8 -3.924 -1.219 -7.554 1.00 0.00 O ATOM 70 CB ARG A 8 -6.939 0.242 -8.026 1.00 0.00 C ATOM 71 CG ARG A 8 -6.794 0.385 -6.520 1.00 0.00 C ATOM 72 CD ARG A 8 -7.559 1.592 -5.999 1.00 0.00 C ATOM 73 NE ARG A 8 -8.988 1.321 -5.871 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.851 1.434 -6.875 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.431 1.811 -8.074 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.136 1.170 -6.679 1.00 0.00 N ATOM 0 H ARG A 8 -6.818 -2.133 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.175 -0.854 -9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.711 1.198 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.978 0.010 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.160 -0.518 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.739 0.482 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.157 1.885 -5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.409 2.435 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.343 1.029 -4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.443 2.015 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.095 1.897 -8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.462 0.880 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.798 1.257 -7.450 1.00 0.00 H new ATOM 90 N VAL A 9 -4.066 0.538 -8.952 1.00 0.00 N ATOM 91 CA VAL A 9 -2.682 0.949 -8.753 1.00 0.00 C ATOM 92 C VAL A 9 -2.605 2.323 -8.098 1.00 0.00 C ATOM 93 O VAL A 9 -3.240 3.275 -8.551 1.00 0.00 O ATOM 94 CB VAL A 9 -1.909 0.983 -10.085 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.488 1.478 -9.866 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.909 -0.391 -10.736 1.00 0.00 C ATOM 0 H VAL A 9 -4.591 1.126 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.225 0.210 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.410 1.679 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.042 1.495 -10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.514 2.484 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.028 0.810 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.359 -0.348 -11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.433 -1.110 -10.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.936 -0.701 -10.931 1.00 0.00 H new ATOM 106 N VAL A 10 -1.823 2.420 -7.028 1.00 0.00 N ATOM 107 CA VAL A 10 -1.661 3.678 -6.310 1.00 0.00 C ATOM 108 C VAL A 10 -0.227 4.187 -6.408 1.00 0.00 C ATOM 109 O VAL A 10 0.710 3.405 -6.570 1.00 0.00 O ATOM 110 CB VAL A 10 -2.041 3.531 -4.825 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.130 4.895 -4.158 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.353 2.773 -4.684 1.00 0.00 C ATOM 0 H VAL A 10 -1.291 1.641 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.332 4.398 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.261 2.959 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.400 4.770 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.165 5.398 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.889 5.496 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.607 2.678 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.144 3.317 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.249 1.781 -5.123 1.00 0.00 H new ATOM 122 N VAL A 11 -0.063 5.502 -6.307 1.00 0.00 N ATOM 123 CA VAL A 11 1.258 6.116 -6.382 1.00 0.00 C ATOM 124 C VAL A 11 1.402 7.236 -5.359 1.00 0.00 C ATOM 125 O VAL A 11 0.618 8.186 -5.349 1.00 0.00 O ATOM 126 CB VAL A 11 1.535 6.680 -7.788 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.903 7.344 -7.838 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.429 5.580 -8.834 1.00 0.00 C ATOM 0 H VAL A 11 -0.828 6.163 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 11 1.984 5.333 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 11 0.782 7.436 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.081 7.736 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.938 8.161 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.672 6.611 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.628 5.997 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.158 4.799 -8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.425 5.155 -8.815 1.00 0.00 H new ATOM 138 N ILE A 12 2.409 7.120 -4.500 1.00 0.00 N ATOM 139 CA ILE A 12 2.657 8.124 -3.474 1.00 0.00 C ATOM 140 C ILE A 12 4.130 8.517 -3.433 1.00 0.00 C ATOM 141 O ILE A 12 4.997 7.767 -3.884 1.00 0.00 O ATOM 142 CB ILE A 12 2.232 7.623 -2.081 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.849 6.972 -2.149 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.236 8.770 -1.081 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.639 5.890 -1.113 1.00 0.00 C ATOM 0 H ILE A 12 3.066 6.340 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 12 2.058 8.996 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 12 2.949 6.873 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.088 7.741 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.705 6.546 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.933 8.400 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.239 9.192 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.539 9.541 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.362 5.473 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.378 5.101 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.750 6.315 -0.115 1.00 0.00 H new ATOM 157 N LYS A 13 4.408 9.696 -2.888 1.00 0.00 N ATOM 158 CA LYS A 13 5.776 10.189 -2.784 1.00 0.00 C ATOM 159 C LYS A 13 6.023 10.827 -1.421 1.00 0.00 C ATOM 160 O LYS A 13 5.489 11.895 -1.118 1.00 0.00 O ATOM 161 CB LYS A 13 6.060 11.204 -3.894 1.00 0.00 C ATOM 162 CG LYS A 13 5.264 10.955 -5.163 1.00 0.00 C ATOM 163 CD LYS A 13 5.283 12.168 -6.079 1.00 0.00 C ATOM 164 CE LYS A 13 5.038 11.776 -7.528 1.00 0.00 C ATOM 165 NZ LYS A 13 5.245 12.923 -8.455 1.00 0.00 N ATOM 0 H LYS A 13 3.703 10.329 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 13 6.451 9.340 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.837 12.205 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.124 11.182 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.676 10.094 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.234 10.708 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.521 12.879 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.245 12.673 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.709 10.962 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.020 11.401 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.068 12.615 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.588 13.691 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.224 13.265 -8.371 1.00 0.00 H new ATOM 179 N LYS A 14 6.835 10.168 -0.602 1.00 0.00 N ATOM 180 CA LYS A 14 7.156 10.672 0.728 1.00 0.00 C ATOM 181 C LYS A 14 7.500 12.157 0.679 1.00 0.00 C ATOM 182 O LYS A 14 8.163 12.620 -0.248 1.00 0.00 O ATOM 183 CB LYS A 14 8.325 9.886 1.326 1.00 0.00 C ATOM 184 CG LYS A 14 8.286 9.796 2.841 1.00 0.00 C ATOM 185 CD LYS A 14 8.929 8.514 3.341 1.00 0.00 C ATOM 186 CE LYS A 14 10.420 8.696 3.583 1.00 0.00 C ATOM 187 NZ LYS A 14 11.028 7.499 4.228 1.00 0.00 N ATOM 0 H LYS A 14 7.284 9.282 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 14 6.278 10.541 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.325 8.878 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.261 10.356 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.802 10.654 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.252 9.842 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.445 8.199 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.772 7.719 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.921 8.891 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.581 9.570 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.044 7.663 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.568 7.327 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.897 6.670 3.614 1.00 0.00 H new ATOM 201 N GLY A 15 7.046 12.899 1.684 1.00 0.00 N ATOM 202 CA GLY A 15 7.318 14.324 1.736 1.00 0.00 C ATOM 203 C GLY A 15 8.138 14.714 2.950 1.00 0.00 C ATOM 204 O GLY A 15 9.307 14.346 3.062 1.00 0.00 O ATOM 0 H GLY A 15 6.495 12.539 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.849 14.623 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.375 14.871 1.748 1.00 0.00 H new ATOM 208 N SER A 16 7.524 15.461 3.862 1.00 0.00 N ATOM 209 CA SER A 16 8.206 15.906 5.071 1.00 0.00 C ATOM 210 C SER A 16 8.107 14.852 6.170 1.00 0.00 C ATOM 211 O SER A 16 9.106 14.247 6.557 1.00 0.00 O ATOM 212 CB SER A 16 7.611 17.228 5.561 1.00 0.00 C ATOM 213 OG SER A 16 8.548 17.950 6.342 1.00 0.00 O ATOM 0 H SER A 16 6.555 15.771 3.786 1.00 0.00 H new ATOM 0 HA SER A 16 9.258 16.057 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.303 17.831 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.716 17.031 6.151 1.00 0.00 H new ATOM 0 HG SER A 16 8.145 18.791 6.642 1.00 0.00 H new ATOM 219 N ASN A 17 6.894 14.639 6.669 1.00 0.00 N ATOM 220 CA ASN A 17 6.662 13.659 7.723 1.00 0.00 C ATOM 221 C ASN A 17 6.881 12.240 7.206 1.00 0.00 C ATOM 222 O ASN A 17 7.653 11.472 7.777 1.00 0.00 O ATOM 223 CB ASN A 17 5.242 13.799 8.276 1.00 0.00 C ATOM 224 CG ASN A 17 5.026 15.120 8.987 1.00 0.00 C ATOM 225 OD1 ASN A 17 5.942 15.660 9.609 1.00 0.00 O ATOM 226 ND2 ASN A 17 3.811 15.648 8.899 1.00 0.00 N ATOM 0 H ASN A 17 6.056 15.132 6.360 1.00 0.00 H new ATOM 0 HA ASN A 17 7.377 13.849 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.526 13.708 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.042 12.980 8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.606 16.536 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.082 15.166 8.373 1.00 0.00 H new ATOM 233 N GLY A 18 6.195 11.901 6.119 1.00 0.00 N ATOM 234 CA GLY A 18 6.328 10.576 5.541 1.00 0.00 C ATOM 235 C GLY A 18 5.314 10.317 4.444 1.00 0.00 C ATOM 236 O GLY A 18 5.102 11.162 3.574 1.00 0.00 O ATOM 0 H GLY A 18 5.550 12.520 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.334 10.459 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.210 9.828 6.325 1.00 0.00 H new ATOM 240 N TYR A 19 4.689 9.146 4.483 1.00 0.00 N ATOM 241 CA TYR A 19 3.696 8.776 3.482 1.00 0.00 C ATOM 242 C TYR A 19 2.295 9.184 3.928 1.00 0.00 C ATOM 243 O TYR A 19 1.616 9.956 3.253 1.00 0.00 O ATOM 244 CB TYR A 19 3.741 7.270 3.220 1.00 0.00 C ATOM 245 CG TYR A 19 4.953 6.829 2.431 1.00 0.00 C ATOM 246 CD1 TYR A 19 4.969 6.904 1.044 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.084 6.338 3.074 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.075 6.501 0.319 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.194 5.935 2.357 1.00 0.00 C ATOM 250 CZ TYR A 19 7.184 6.018 0.981 1.00 0.00 C ATOM 251 OH TYR A 19 8.288 5.617 0.263 1.00 0.00 O ATOM 0 H TYR A 19 4.852 8.436 5.197 1.00 0.00 H new ATOM 0 HA TYR A 19 3.933 9.306 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.728 6.743 4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.840 6.976 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.102 7.284 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.095 6.271 4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.070 6.564 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.065 5.557 2.872 1.00 0.00 H new ATOM 0 HH TYR A 19 8.314 6.096 -0.592 1.00 0.00 H new ATOM 261 N GLY A 20 1.868 8.657 5.072 1.00 0.00 N ATOM 262 CA GLY A 20 0.551 8.978 5.591 1.00 0.00 C ATOM 263 C GLY A 20 -0.303 7.744 5.804 1.00 0.00 C ATOM 264 O GLY A 20 -1.375 7.819 6.406 1.00 0.00 O ATOM 0 H GLY A 20 2.411 8.014 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.656 9.511 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.045 9.652 4.899 1.00 0.00 H new ATOM 268 N PHE A 21 0.170 6.605 5.309 1.00 0.00 N ATOM 269 CA PHE A 21 -0.560 5.350 5.446 1.00 0.00 C ATOM 270 C PHE A 21 0.249 4.336 6.250 1.00 0.00 C ATOM 271 O PHE A 21 1.477 4.300 6.169 1.00 0.00 O ATOM 272 CB PHE A 21 -0.892 4.776 4.068 1.00 0.00 C ATOM 273 CG PHE A 21 0.279 4.121 3.392 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.202 4.878 2.690 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.455 2.749 3.459 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.282 4.279 2.068 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.533 2.144 2.840 1.00 0.00 C ATOM 278 CZ PHE A 21 2.446 2.910 2.142 1.00 0.00 C ATOM 0 H PHE A 21 1.056 6.525 4.809 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.488 5.554 5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.696 4.047 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.268 5.577 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.077 5.949 2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.258 2.145 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.996 4.881 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.661 1.073 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.287 2.439 1.655 1.00 0.00 H new ATOM 288 N TYR A 22 -0.449 3.515 7.028 1.00 0.00 N ATOM 289 CA TYR A 22 0.203 2.503 7.849 1.00 0.00 C ATOM 290 C TYR A 22 -0.082 1.102 7.316 1.00 0.00 C ATOM 291 O TYR A 22 -0.915 0.921 6.426 1.00 0.00 O ATOM 292 CB TYR A 22 -0.268 2.613 9.301 1.00 0.00 C ATOM 293 CG TYR A 22 0.089 3.929 9.954 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.614 5.090 9.653 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.129 4.013 10.872 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.292 6.295 10.247 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.457 5.213 11.472 1.00 0.00 C ATOM 298 CZ TYR A 22 0.744 6.351 11.156 1.00 0.00 C ATOM 299 OH TYR A 22 1.069 7.549 11.750 1.00 0.00 O ATOM 0 H TYR A 22 -1.466 3.531 7.107 1.00 0.00 H new ATOM 0 HA TYR A 22 1.278 2.676 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.350 2.482 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.170 1.799 9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.426 5.049 8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.690 3.125 11.121 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.848 7.188 10.001 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.267 5.260 12.185 1.00 0.00 H new ATOM 0 HH TYR A 22 1.820 7.416 12.365 1.00 0.00 H new ATOM 309 N LEU A 23 0.614 0.114 7.866 1.00 0.00 N ATOM 310 CA LEU A 23 0.437 -1.273 7.448 1.00 0.00 C ATOM 311 C LEU A 23 0.141 -2.169 8.646 1.00 0.00 C ATOM 312 O LEU A 23 0.659 -1.951 9.740 1.00 0.00 O ATOM 313 CB LEU A 23 1.687 -1.770 6.720 1.00 0.00 C ATOM 314 CG LEU A 23 1.957 -1.150 5.349 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.247 -1.699 4.759 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.788 -1.404 4.409 1.00 0.00 C ATOM 0 H LEU A 23 1.307 0.247 8.603 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.413 -1.316 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.552 -1.584 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.607 -2.850 6.598 1.00 0.00 H new ATOM 0 HG LEU A 23 2.069 -0.073 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.422 -1.246 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.079 -1.465 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.165 -2.780 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.998 -0.956 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.644 -2.478 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.117 -0.961 4.825 1.00 0.00 H new ATOM 328 N ARG A 24 -0.694 -3.180 8.429 1.00 0.00 N ATOM 329 CA ARG A 24 -1.058 -4.111 9.491 1.00 0.00 C ATOM 330 C ARG A 24 -0.975 -5.554 9.001 1.00 0.00 C ATOM 331 O ARG A 24 -1.255 -5.842 7.838 1.00 0.00 O ATOM 332 CB ARG A 24 -2.471 -3.814 9.996 1.00 0.00 C ATOM 333 CG ARG A 24 -2.955 -4.788 11.058 1.00 0.00 C ATOM 334 CD ARG A 24 -2.646 -4.284 12.459 1.00 0.00 C ATOM 335 NE ARG A 24 -2.370 -5.379 13.386 1.00 0.00 N ATOM 336 CZ ARG A 24 -2.285 -5.223 14.702 1.00 0.00 C ATOM 337 NH1 ARG A 24 -2.453 -4.024 15.244 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.031 -6.268 15.480 1.00 0.00 N ATOM 0 H ARG A 24 -1.131 -3.375 7.528 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.351 -3.982 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.497 -2.803 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.161 -3.836 9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.030 -4.938 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.481 -5.758 10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.786 -3.615 12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.489 -3.700 12.828 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.235 -6.314 13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.648 -3.218 14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.387 -3.908 16.255 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.901 -7.192 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.966 -6.147 16.491 1.00 0.00 H new ATOM 352 N ALA A 25 -0.587 -6.456 9.897 1.00 0.00 N ATOM 353 CA ALA A 25 -0.468 -7.868 9.556 1.00 0.00 C ATOM 354 C ALA A 25 -1.840 -8.524 9.446 1.00 0.00 C ATOM 355 O ALA A 25 -2.436 -8.912 10.450 1.00 0.00 O ATOM 356 CB ALA A 25 0.383 -8.590 10.591 1.00 0.00 C ATOM 0 H ALA A 25 -0.350 -6.234 10.864 1.00 0.00 H new ATOM 0 HA ALA A 25 0.020 -7.942 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.464 -9.644 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.378 -8.145 10.618 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.082 -8.499 11.572 1.00 0.00 H new ATOM 362 N GLY A 26 -2.337 -8.643 8.218 1.00 0.00 N ATOM 363 CA GLY A 26 -3.637 -9.252 8.000 1.00 0.00 C ATOM 364 C GLY A 26 -3.655 -10.724 8.359 1.00 0.00 C ATOM 365 O GLY A 26 -2.613 -11.348 8.566 1.00 0.00 O ATOM 0 H GLY A 26 -1.863 -8.329 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.385 -8.727 8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.920 -9.133 6.954 1.00 0.00 H new ATOM 369 N PRO A 27 -4.862 -11.303 8.439 1.00 0.00 N ATOM 370 CA PRO A 27 -5.041 -12.718 8.776 1.00 0.00 C ATOM 371 C PRO A 27 -4.562 -13.645 7.664 1.00 0.00 C ATOM 372 O PRO A 27 -3.831 -13.226 6.767 1.00 0.00 O ATOM 373 CB PRO A 27 -6.554 -12.849 8.967 1.00 0.00 C ATOM 374 CG PRO A 27 -7.136 -11.751 8.145 1.00 0.00 C ATOM 375 CD PRO A 27 -6.146 -10.621 8.205 1.00 0.00 C ATOM 0 HA PRO A 27 -4.460 -13.004 9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.912 -13.824 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.831 -12.747 10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.296 -12.076 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.105 -11.442 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.133 -10.048 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.382 -9.922 9.008 1.00 0.00 H new ATOM 383 N GLU A 28 -4.979 -14.905 7.729 1.00 0.00 N ATOM 384 CA GLU A 28 -4.591 -15.890 6.726 1.00 0.00 C ATOM 385 C GLU A 28 -4.470 -15.246 5.348 1.00 0.00 C ATOM 386 O GLU A 28 -3.635 -15.645 4.537 1.00 0.00 O ATOM 387 CB GLU A 28 -5.609 -17.032 6.680 1.00 0.00 C ATOM 388 CG GLU A 28 -7.053 -16.562 6.733 1.00 0.00 C ATOM 389 CD GLU A 28 -7.634 -16.305 5.356 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.054 -16.800 4.366 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.666 -15.608 5.267 1.00 0.00 O ATOM 0 H GLU A 28 -5.585 -15.268 8.465 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.617 -16.292 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.456 -17.607 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.424 -17.706 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.657 -17.312 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.112 -15.648 7.325 1.00 0.00 H new ATOM 398 N GLN A 29 -5.310 -14.248 5.093 1.00 0.00 N ATOM 399 CA GLN A 29 -5.298 -13.549 3.813 1.00 0.00 C ATOM 400 C GLN A 29 -3.937 -12.909 3.555 1.00 0.00 C ATOM 401 O GLN A 29 -3.347 -12.298 4.446 1.00 0.00 O ATOM 402 CB GLN A 29 -6.391 -12.479 3.782 1.00 0.00 C ATOM 403 CG GLN A 29 -6.177 -11.360 4.788 1.00 0.00 C ATOM 404 CD GLN A 29 -7.438 -10.562 5.052 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.437 -9.333 4.975 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.525 -11.259 5.365 1.00 0.00 N ATOM 0 H GLN A 29 -6.007 -13.906 5.755 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.491 -14.279 3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.440 -12.051 2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.355 -12.950 3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.817 -11.784 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.399 -10.691 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.481 -12.277 5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.404 -10.776 5.553 1.00 0.00 H new ATOM 415 N LYS A 30 -3.444 -13.054 2.330 1.00 0.00 N ATOM 416 CA LYS A 30 -2.154 -12.490 1.952 1.00 0.00 C ATOM 417 C LYS A 30 -2.288 -11.013 1.598 1.00 0.00 C ATOM 418 O LYS A 30 -3.227 -10.612 0.911 1.00 0.00 O ATOM 419 CB LYS A 30 -1.565 -13.259 0.767 1.00 0.00 C ATOM 420 CG LYS A 30 -1.784 -14.760 0.846 1.00 0.00 C ATOM 421 CD LYS A 30 -1.049 -15.369 2.028 1.00 0.00 C ATOM 422 CE LYS A 30 -1.778 -16.590 2.568 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.327 -17.844 1.904 1.00 0.00 N ATOM 0 H LYS A 30 -3.919 -13.558 1.581 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.482 -12.581 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.008 -12.884 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.495 -13.059 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.850 -14.969 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.441 -15.228 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.040 -15.650 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.948 -14.625 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.610 -16.667 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.851 -16.467 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.847 -18.653 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.510 -17.781 0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.308 -17.975 2.066 1.00 0.00 H new ATOM 437 N GLY A 31 -1.341 -10.207 2.070 1.00 0.00 N ATOM 438 CA GLY A 31 -1.372 -8.783 1.791 1.00 0.00 C ATOM 439 C GLY A 31 -1.395 -7.945 3.054 1.00 0.00 C ATOM 440 O GLY A 31 -1.827 -8.412 4.107 1.00 0.00 O ATOM 0 H GLY A 31 -0.553 -10.515 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.500 -8.513 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.252 -8.553 1.190 1.00 0.00 H new ATOM 444 N GLN A 32 -0.928 -6.706 2.948 1.00 0.00 N ATOM 445 CA GLN A 32 -0.894 -5.802 4.092 1.00 0.00 C ATOM 446 C GLN A 32 -2.124 -4.900 4.109 1.00 0.00 C ATOM 447 O GLN A 32 -2.600 -4.464 3.061 1.00 0.00 O ATOM 448 CB GLN A 32 0.377 -4.952 4.060 1.00 0.00 C ATOM 449 CG GLN A 32 1.657 -5.767 4.150 1.00 0.00 C ATOM 450 CD GLN A 32 1.690 -6.668 5.368 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.575 -7.889 5.255 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.848 -6.070 6.544 1.00 0.00 N ATOM 0 H GLN A 32 -0.568 -6.305 2.082 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.896 -6.405 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.391 -4.369 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.350 -4.242 4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.761 -6.374 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.512 -5.092 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.939 -5.055 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.878 -6.626 7.399 1.00 0.00 H new ATOM 461 N ILE A 33 -2.632 -4.624 5.305 1.00 0.00 N ATOM 462 CA ILE A 33 -3.806 -3.773 5.458 1.00 0.00 C ATOM 463 C ILE A 33 -3.405 -2.334 5.763 1.00 0.00 C ATOM 464 O ILE A 33 -2.435 -2.087 6.479 1.00 0.00 O ATOM 465 CB ILE A 33 -4.730 -4.285 6.579 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.076 -5.758 6.352 1.00 0.00 C ATOM 467 CG2 ILE A 33 -5.995 -3.443 6.648 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.676 -6.432 7.566 1.00 0.00 C ATOM 0 H ILE A 33 -2.249 -4.977 6.182 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.345 -3.805 4.511 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.206 -4.197 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.777 -5.834 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.173 -6.294 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.638 -3.817 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.731 -2.405 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.524 -3.503 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.896 -7.474 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.968 -6.388 8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.597 -5.921 7.848 1.00 0.00 H new ATOM 480 N ILE A 34 -4.160 -1.387 5.215 1.00 0.00 N ATOM 481 CA ILE A 34 -3.886 0.028 5.431 1.00 0.00 C ATOM 482 C ILE A 34 -4.884 0.639 6.409 1.00 0.00 C ATOM 483 O ILE A 34 -6.080 0.354 6.351 1.00 0.00 O ATOM 484 CB ILE A 34 -3.930 0.817 4.109 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.802 0.362 3.180 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.829 2.311 4.381 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.731 1.146 1.888 1.00 0.00 C ATOM 0 H ILE A 34 -4.966 -1.574 4.618 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.883 0.095 5.852 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.882 0.620 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.851 0.454 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.937 -0.694 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.861 2.856 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.663 2.624 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.890 2.525 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.909 0.770 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.668 1.034 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.565 2.200 2.111 1.00 0.00 H new ATOM 499 N LYS A 35 -4.384 1.483 7.305 1.00 0.00 N ATOM 500 CA LYS A 35 -5.231 2.138 8.295 1.00 0.00 C ATOM 501 C LYS A 35 -4.540 3.369 8.873 1.00 0.00 C ATOM 502 O LYS A 35 -3.326 3.527 8.746 1.00 0.00 O ATOM 503 CB LYS A 35 -5.585 1.163 9.420 1.00 0.00 C ATOM 504 CG LYS A 35 -4.450 0.929 10.402 1.00 0.00 C ATOM 505 CD LYS A 35 -4.637 -0.367 11.172 1.00 0.00 C ATOM 506 CE LYS A 35 -3.306 -0.929 11.648 1.00 0.00 C ATOM 507 NZ LYS A 35 -2.771 -0.174 12.815 1.00 0.00 N ATOM 0 H LYS A 35 -3.396 1.730 7.366 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.147 2.457 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.450 1.545 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.879 0.209 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.502 0.900 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.394 1.764 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.287 -0.192 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.137 -1.099 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.431 -1.977 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.585 -0.895 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.863 -0.588 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.628 0.821 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.448 -0.228 13.603 1.00 0.00 H new ATOM 521 N ASP A 36 -5.320 4.235 9.510 1.00 0.00 N ATOM 522 CA ASP A 36 -4.783 5.450 10.110 1.00 0.00 C ATOM 523 C ASP A 36 -4.293 6.417 9.036 1.00 0.00 C ATOM 524 O ASP A 36 -3.234 7.029 9.174 1.00 0.00 O ATOM 525 CB ASP A 36 -3.638 5.109 11.066 1.00 0.00 C ATOM 526 CG ASP A 36 -3.219 6.294 11.913 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.067 7.178 12.158 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.042 6.339 12.330 1.00 0.00 O ATOM 0 H ASP A 36 -6.327 4.118 9.624 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.584 5.933 10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.944 4.291 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.782 4.756 10.491 1.00 0.00 H new ATOM 533 N ILE A 37 -5.071 6.547 7.966 1.00 0.00 N ATOM 534 CA ILE A 37 -4.716 7.439 6.869 1.00 0.00 C ATOM 535 C ILE A 37 -4.768 8.899 7.308 1.00 0.00 C ATOM 536 O ILE A 37 -5.715 9.324 7.969 1.00 0.00 O ATOM 537 CB ILE A 37 -5.651 7.244 5.661 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.455 5.853 5.056 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.398 8.322 4.617 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.427 5.536 3.941 1.00 0.00 C ATOM 0 H ILE A 37 -5.950 6.046 7.836 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.697 7.187 6.574 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.683 7.329 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.437 5.772 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.560 5.106 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.066 8.171 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.583 9.303 5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.363 8.265 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.229 4.534 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.447 5.584 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.306 6.261 3.136 1.00 0.00 H new ATOM 552 N GLU A 38 -3.744 9.660 6.934 1.00 0.00 N ATOM 553 CA GLU A 38 -3.675 11.073 7.289 1.00 0.00 C ATOM 554 C GLU A 38 -4.272 11.941 6.185 1.00 0.00 C ATOM 555 O GLU A 38 -4.130 11.660 4.995 1.00 0.00 O ATOM 556 CB GLU A 38 -2.224 11.485 7.549 1.00 0.00 C ATOM 557 CG GLU A 38 -1.606 10.806 8.759 1.00 0.00 C ATOM 558 CD GLU A 38 -0.416 11.567 9.311 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.514 11.860 8.530 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.415 11.871 10.522 1.00 0.00 O ATOM 0 H GLU A 38 -2.952 9.323 6.386 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.257 11.222 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.626 11.253 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.181 12.565 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.361 10.704 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.293 9.799 8.485 1.00 0.00 H new ATOM 567 N PRO A 39 -4.957 13.021 6.588 1.00 0.00 N ATOM 568 CA PRO A 39 -5.590 13.953 5.650 1.00 0.00 C ATOM 569 C PRO A 39 -4.569 14.771 4.868 1.00 0.00 C ATOM 570 O PRO A 39 -3.483 15.068 5.366 1.00 0.00 O ATOM 571 CB PRO A 39 -6.421 14.862 6.559 1.00 0.00 C ATOM 572 CG PRO A 39 -5.736 14.804 7.881 1.00 0.00 C ATOM 573 CD PRO A 39 -5.166 13.417 7.991 1.00 0.00 C ATOM 0 HA PRO A 39 -6.177 13.433 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.455 15.882 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.451 14.514 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.949 15.556 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.436 15.004 8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.233 13.410 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.851 12.740 8.502 1.00 0.00 H new ATOM 581 N GLY A 40 -4.924 15.134 3.639 1.00 0.00 N ATOM 582 CA GLY A 40 -4.026 15.916 2.808 1.00 0.00 C ATOM 583 C GLY A 40 -2.642 15.306 2.717 1.00 0.00 C ATOM 584 O GLY A 40 -1.688 15.972 2.316 1.00 0.00 O ATOM 0 H GLY A 40 -5.817 14.901 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.447 16.004 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.949 16.926 3.212 1.00 0.00 H new ATOM 588 N SER A 41 -2.531 14.036 3.092 1.00 0.00 N ATOM 589 CA SER A 41 -1.251 13.337 3.056 1.00 0.00 C ATOM 590 C SER A 41 -1.039 12.659 1.706 1.00 0.00 C ATOM 591 O SER A 41 -1.987 12.340 0.988 1.00 0.00 O ATOM 592 CB SER A 41 -1.181 12.299 4.177 1.00 0.00 C ATOM 593 OG SER A 41 -1.847 11.104 3.808 1.00 0.00 O ATOM 0 H SER A 41 -3.312 13.470 3.424 1.00 0.00 H new ATOM 0 HA SER A 41 -0.460 14.073 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.139 12.081 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.632 12.706 5.082 1.00 0.00 H new ATOM 0 HG SER A 41 -2.627 10.972 4.387 1.00 0.00 H new ATOM 599 N PRO A 42 0.234 12.434 1.351 1.00 0.00 N ATOM 600 CA PRO A 42 0.601 11.792 0.085 1.00 0.00 C ATOM 601 C PRO A 42 -0.203 10.523 -0.176 1.00 0.00 C ATOM 602 O PRO A 42 -0.369 10.106 -1.322 1.00 0.00 O ATOM 603 CB PRO A 42 2.083 11.456 0.275 1.00 0.00 C ATOM 604 CG PRO A 42 2.572 12.451 1.270 1.00 0.00 C ATOM 605 CD PRO A 42 1.414 12.788 2.158 1.00 0.00 C ATOM 0 HA PRO A 42 0.402 12.436 -0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.215 10.436 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.630 11.534 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.397 12.041 1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.947 13.344 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.446 12.221 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.411 13.844 2.428 1.00 0.00 H new ATOM 613 N ALA A 43 -0.701 9.913 0.895 1.00 0.00 N ATOM 614 CA ALA A 43 -1.491 8.693 0.781 1.00 0.00 C ATOM 615 C ALA A 43 -2.937 9.007 0.412 1.00 0.00 C ATOM 616 O ALA A 43 -3.508 8.384 -0.482 1.00 0.00 O ATOM 617 CB ALA A 43 -1.435 7.905 2.081 1.00 0.00 C ATOM 0 H ALA A 43 -0.571 10.244 1.851 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.064 8.086 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.029 6.997 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.401 7.640 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.835 8.513 2.893 1.00 0.00 H new ATOM 623 N GLU A 44 -3.523 9.977 1.108 1.00 0.00 N ATOM 624 CA GLU A 44 -4.903 10.372 0.853 1.00 0.00 C ATOM 625 C GLU A 44 -5.028 11.076 -0.495 1.00 0.00 C ATOM 626 O GLU A 44 -6.057 10.981 -1.163 1.00 0.00 O ATOM 627 CB GLU A 44 -5.408 11.289 1.969 1.00 0.00 C ATOM 628 CG GLU A 44 -6.880 11.645 1.844 1.00 0.00 C ATOM 629 CD GLU A 44 -7.793 10.486 2.197 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.878 9.533 1.394 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.421 10.532 3.276 1.00 0.00 O ATOM 0 H GLU A 44 -3.064 10.503 1.852 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.514 9.470 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.241 10.804 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.819 12.206 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.102 12.489 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.087 11.968 0.823 1.00 0.00 H new ATOM 638 N ALA A 45 -3.973 11.783 -0.886 1.00 0.00 N ATOM 639 CA ALA A 45 -3.963 12.502 -2.154 1.00 0.00 C ATOM 640 C ALA A 45 -3.766 11.546 -3.326 1.00 0.00 C ATOM 641 O ALA A 45 -4.167 11.839 -4.452 1.00 0.00 O ATOM 642 CB ALA A 45 -2.875 13.565 -2.149 1.00 0.00 C ATOM 0 H ALA A 45 -3.114 11.873 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.931 12.989 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.879 14.094 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.061 14.272 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.904 13.092 -2.001 1.00 0.00 H new ATOM 648 N ALA A 46 -3.145 10.403 -3.053 1.00 0.00 N ATOM 649 CA ALA A 46 -2.896 9.404 -4.085 1.00 0.00 C ATOM 650 C ALA A 46 -4.178 8.664 -4.453 1.00 0.00 C ATOM 651 O ALA A 46 -4.345 8.220 -5.588 1.00 0.00 O ATOM 652 CB ALA A 46 -1.831 8.421 -3.622 1.00 0.00 C ATOM 0 H ALA A 46 -2.805 10.146 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.536 9.919 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.655 7.681 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.905 8.958 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.169 7.919 -2.715 1.00 0.00 H new ATOM 658 N GLY A 47 -5.080 8.535 -3.485 1.00 0.00 N ATOM 659 CA GLY A 47 -6.335 7.847 -3.728 1.00 0.00 C ATOM 660 C GLY A 47 -6.474 6.586 -2.898 1.00 0.00 C ATOM 661 O GLY A 47 -7.361 5.767 -3.144 1.00 0.00 O ATOM 0 H GLY A 47 -4.964 8.894 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.164 8.519 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.408 7.592 -4.785 1.00 0.00 H new ATOM 665 N LEU A 48 -5.596 6.427 -1.914 1.00 0.00 N ATOM 666 CA LEU A 48 -5.624 5.255 -1.045 1.00 0.00 C ATOM 667 C LEU A 48 -7.007 5.067 -0.429 1.00 0.00 C ATOM 668 O LEU A 48 -7.929 5.836 -0.699 1.00 0.00 O ATOM 669 CB LEU A 48 -4.575 5.390 0.059 1.00 0.00 C ATOM 670 CG LEU A 48 -3.187 4.833 -0.262 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.326 4.790 0.991 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.299 3.448 -0.882 1.00 0.00 C ATOM 0 H LEU A 48 -4.856 7.095 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.394 4.378 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.472 6.446 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.949 4.888 0.951 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.709 5.495 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.342 4.391 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.218 5.797 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.800 4.151 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.302 3.067 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.797 2.776 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.878 3.508 -1.804 1.00 0.00 H new ATOM 684 N LYS A 49 -7.143 4.040 0.403 1.00 0.00 N ATOM 685 CA LYS A 49 -8.411 3.752 1.062 1.00 0.00 C ATOM 686 C LYS A 49 -8.193 2.916 2.320 1.00 0.00 C ATOM 687 O LYS A 49 -7.413 1.966 2.317 1.00 0.00 O ATOM 688 CB LYS A 49 -9.351 3.015 0.104 1.00 0.00 C ATOM 689 CG LYS A 49 -9.985 3.918 -0.939 1.00 0.00 C ATOM 690 CD LYS A 49 -11.341 3.393 -1.381 1.00 0.00 C ATOM 691 CE LYS A 49 -11.939 4.252 -2.485 1.00 0.00 C ATOM 692 NZ LYS A 49 -13.412 4.066 -2.596 1.00 0.00 N ATOM 0 H LYS A 49 -6.390 3.393 0.637 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.865 4.700 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.795 2.225 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.139 2.532 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.098 4.923 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.325 3.997 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.238 2.367 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.019 3.371 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.719 5.301 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.469 4.001 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.781 4.668 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.621 3.070 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.864 4.330 -1.697 1.00 0.00 H new ATOM 706 N ASN A 50 -8.890 3.278 3.392 1.00 0.00 N ATOM 707 CA ASN A 50 -8.773 2.561 4.657 1.00 0.00 C ATOM 708 C ASN A 50 -9.062 1.075 4.468 1.00 0.00 C ATOM 709 O ASN A 50 -9.842 0.689 3.598 1.00 0.00 O ATOM 710 CB ASN A 50 -9.732 3.151 5.692 1.00 0.00 C ATOM 711 CG ASN A 50 -9.447 4.612 5.978 1.00 0.00 C ATOM 712 OD1 ASN A 50 -10.144 5.500 5.487 1.00 0.00 O ATOM 713 ND2 ASN A 50 -8.416 4.869 6.776 1.00 0.00 N ATOM 0 H ASN A 50 -9.541 4.063 3.410 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.750 2.671 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.757 3.047 5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.658 2.581 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.175 5.834 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.865 4.102 7.161 1.00 0.00 H new ATOM 720 N ASN A 51 -8.428 0.245 5.290 1.00 0.00 N ATOM 721 CA ASN A 51 -8.617 -1.199 5.215 1.00 0.00 C ATOM 722 C ASN A 51 -8.302 -1.716 3.814 1.00 0.00 C ATOM 723 O ASN A 51 -9.016 -2.564 3.279 1.00 0.00 O ATOM 724 CB ASN A 51 -10.052 -1.567 5.595 1.00 0.00 C ATOM 725 CG ASN A 51 -10.271 -1.563 7.096 1.00 0.00 C ATOM 726 OD1 ASN A 51 -9.379 -1.920 7.866 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.463 -1.158 7.518 1.00 0.00 N ATOM 0 H ASN A 51 -7.779 0.548 6.016 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.930 -1.668 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.741 -0.863 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.288 -2.554 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.669 -1.134 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.172 -0.871 6.844 1.00 0.00 H new ATOM 734 N ASP A 52 -7.228 -1.200 3.227 1.00 0.00 N ATOM 735 CA ASP A 52 -6.817 -1.610 1.889 1.00 0.00 C ATOM 736 C ASP A 52 -5.804 -2.749 1.957 1.00 0.00 C ATOM 737 O ASP A 52 -4.783 -2.646 2.637 1.00 0.00 O ATOM 738 CB ASP A 52 -6.219 -0.424 1.130 1.00 0.00 C ATOM 739 CG ASP A 52 -7.261 0.343 0.341 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.467 0.139 0.595 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.871 1.148 -0.531 1.00 0.00 O ATOM 0 H ASP A 52 -6.626 -0.497 3.656 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.700 -1.964 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.735 0.249 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.445 -0.783 0.451 1.00 0.00 H new ATOM 746 N LEU A 53 -6.095 -3.835 1.249 1.00 0.00 N ATOM 747 CA LEU A 53 -5.211 -4.995 1.230 1.00 0.00 C ATOM 748 C LEU A 53 -4.269 -4.942 0.031 1.00 0.00 C ATOM 749 O LEU A 53 -4.706 -5.000 -1.118 1.00 0.00 O ATOM 750 CB LEU A 53 -6.031 -6.286 1.191 1.00 0.00 C ATOM 751 CG LEU A 53 -5.288 -7.565 1.578 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.096 -7.636 3.085 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.037 -8.790 1.075 1.00 0.00 C ATOM 0 H LEU A 53 -6.936 -3.936 0.681 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.612 -4.979 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.886 -6.170 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.427 -6.411 0.183 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.305 -7.547 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.565 -8.553 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.516 -6.776 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.069 -7.630 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.494 -9.691 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.034 -8.813 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.121 -8.745 -0.011 1.00 0.00 H new ATOM 765 N VAL A 54 -2.973 -4.832 0.307 1.00 0.00 N ATOM 766 CA VAL A 54 -1.969 -4.775 -0.748 1.00 0.00 C ATOM 767 C VAL A 54 -1.380 -6.154 -1.023 1.00 0.00 C ATOM 768 O VAL A 54 -0.787 -6.775 -0.140 1.00 0.00 O ATOM 769 CB VAL A 54 -0.828 -3.805 -0.385 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.295 -3.895 -1.407 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.353 -2.381 -0.282 1.00 0.00 C ATOM 0 H VAL A 54 -2.594 -4.781 1.253 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.473 -4.414 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.426 -4.091 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.092 -3.203 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.688 -4.911 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.089 -3.635 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.534 -1.709 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.782 -2.081 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.120 -2.331 0.491 1.00 0.00 H new ATOM 781 N VAL A 55 -1.548 -6.629 -2.253 1.00 0.00 N ATOM 782 CA VAL A 55 -1.032 -7.935 -2.645 1.00 0.00 C ATOM 783 C VAL A 55 0.317 -7.805 -3.344 1.00 0.00 C ATOM 784 O VAL A 55 1.173 -8.682 -3.231 1.00 0.00 O ATOM 785 CB VAL A 55 -2.013 -8.668 -3.579 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.246 -9.118 -2.810 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.400 -7.779 -4.751 1.00 0.00 C ATOM 0 H VAL A 55 -2.037 -6.129 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.910 -8.515 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.517 -9.554 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.928 -9.634 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.948 -9.794 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.746 -8.249 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.093 -8.314 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.877 -6.873 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.507 -7.512 -5.316 1.00 0.00 H new ATOM 797 N ALA A 56 0.499 -6.705 -4.067 1.00 0.00 N ATOM 798 CA ALA A 56 1.745 -6.459 -4.783 1.00 0.00 C ATOM 799 C ALA A 56 2.222 -5.025 -4.578 1.00 0.00 C ATOM 800 O ALA A 56 1.417 -4.113 -4.391 1.00 0.00 O ATOM 801 CB ALA A 56 1.569 -6.753 -6.265 1.00 0.00 C ATOM 0 H ALA A 56 -0.200 -5.970 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 56 2.505 -7.128 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.507 -6.565 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.283 -7.796 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.791 -6.109 -6.674 1.00 0.00 H new ATOM 807 N VAL A 57 3.537 -4.833 -4.615 1.00 0.00 N ATOM 808 CA VAL A 57 4.121 -3.509 -4.434 1.00 0.00 C ATOM 809 C VAL A 57 5.243 -3.262 -5.436 1.00 0.00 C ATOM 810 O VAL A 57 6.191 -4.040 -5.526 1.00 0.00 O ATOM 811 CB VAL A 57 4.673 -3.330 -3.007 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.401 -2.000 -2.879 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.551 -3.433 -1.985 1.00 0.00 C ATOM 0 H VAL A 57 4.218 -5.577 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 57 3.323 -2.785 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 57 5.388 -4.129 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.784 -1.891 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.231 -1.970 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.710 -1.185 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.959 -3.304 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.811 -2.657 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.078 -4.412 -2.061 1.00 0.00 H new ATOM 823 N ASN A 58 5.127 -2.172 -6.188 1.00 0.00 N ATOM 824 CA ASN A 58 6.132 -1.821 -7.185 1.00 0.00 C ATOM 825 C ASN A 58 6.285 -2.934 -8.218 1.00 0.00 C ATOM 826 O ASN A 58 7.373 -3.158 -8.748 1.00 0.00 O ATOM 827 CB ASN A 58 7.478 -1.549 -6.509 1.00 0.00 C ATOM 828 CG ASN A 58 7.649 -0.091 -6.130 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.995 0.789 -6.690 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.533 0.172 -5.174 1.00 0.00 N ATOM 0 H ASN A 58 4.348 -1.517 -6.126 1.00 0.00 H new ATOM 0 HA ASN A 58 5.801 -0.917 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.564 -2.167 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.285 -1.845 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.692 1.135 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.053 -0.589 -4.737 1.00 0.00 H new ATOM 837 N GLY A 59 5.187 -3.629 -8.499 1.00 0.00 N ATOM 838 CA GLY A 59 5.220 -4.709 -9.467 1.00 0.00 C ATOM 839 C GLY A 59 5.877 -5.960 -8.918 1.00 0.00 C ATOM 840 O GLY A 59 6.351 -6.806 -9.677 1.00 0.00 O ATOM 0 H GLY A 59 4.275 -3.463 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.202 -4.944 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.758 -4.380 -10.356 1.00 0.00 H new ATOM 844 N LYS A 60 5.909 -6.077 -7.595 1.00 0.00 N ATOM 845 CA LYS A 60 6.514 -7.233 -6.944 1.00 0.00 C ATOM 846 C LYS A 60 5.519 -7.914 -6.009 1.00 0.00 C ATOM 847 O LYS A 60 4.557 -7.295 -5.554 1.00 0.00 O ATOM 848 CB LYS A 60 7.758 -6.810 -6.160 1.00 0.00 C ATOM 849 CG LYS A 60 8.801 -6.103 -7.009 1.00 0.00 C ATOM 850 CD LYS A 60 9.805 -7.085 -7.591 1.00 0.00 C ATOM 851 CE LYS A 60 9.365 -7.587 -8.958 1.00 0.00 C ATOM 852 NZ LYS A 60 9.883 -6.726 -10.058 1.00 0.00 N ATOM 0 H LYS A 60 5.523 -5.385 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 60 6.804 -7.944 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.457 -6.151 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.209 -7.693 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.308 -5.563 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.324 -5.363 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.779 -6.604 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.924 -7.930 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.717 -8.609 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.276 -7.616 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.562 -7.101 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.527 -5.756 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.923 -6.719 -10.033 1.00 0.00 H new ATOM 866 N SER A 61 5.758 -9.190 -5.725 1.00 0.00 N ATOM 867 CA SER A 61 4.881 -9.955 -4.846 1.00 0.00 C ATOM 868 C SER A 61 5.266 -9.751 -3.384 1.00 0.00 C ATOM 869 O SER A 61 6.373 -10.092 -2.968 1.00 0.00 O ATOM 870 CB SER A 61 4.941 -11.442 -5.199 1.00 0.00 C ATOM 871 OG SER A 61 4.662 -11.652 -6.572 1.00 0.00 O ATOM 0 H SER A 61 6.552 -9.716 -6.091 1.00 0.00 H new ATOM 0 HA SER A 61 3.862 -9.597 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.929 -11.836 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.224 -11.993 -4.591 1.00 0.00 H new ATOM 0 HG SER A 61 4.708 -12.610 -6.772 1.00 0.00 H new ATOM 877 N VAL A 62 4.343 -9.192 -2.608 1.00 0.00 N ATOM 878 CA VAL A 62 4.584 -8.944 -1.191 1.00 0.00 C ATOM 879 C VAL A 62 3.596 -9.714 -0.322 1.00 0.00 C ATOM 880 O VAL A 62 3.867 -9.991 0.846 1.00 0.00 O ATOM 881 CB VAL A 62 4.480 -7.443 -0.859 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.295 -6.620 -1.846 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.025 -6.998 -0.855 1.00 0.00 C ATOM 0 H VAL A 62 3.422 -8.902 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 62 5.596 -9.288 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 62 4.889 -7.280 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.210 -5.563 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.341 -6.922 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.919 -6.785 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.970 -5.935 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.588 -7.174 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.473 -7.565 -0.106 1.00 0.00 H new ATOM 893 N GLU A 63 2.450 -10.058 -0.901 1.00 0.00 N ATOM 894 CA GLU A 63 1.421 -10.797 -0.178 1.00 0.00 C ATOM 895 C GLU A 63 2.024 -11.994 0.552 1.00 0.00 C ATOM 896 O GLU A 63 1.532 -12.404 1.603 1.00 0.00 O ATOM 897 CB GLU A 63 0.330 -11.270 -1.141 1.00 0.00 C ATOM 898 CG GLU A 63 0.743 -12.458 -1.993 1.00 0.00 C ATOM 899 CD GLU A 63 1.537 -12.049 -3.219 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.371 -11.127 -3.106 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.324 -12.653 -4.291 1.00 0.00 O ATOM 0 H GLU A 63 2.211 -9.837 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 63 0.979 -10.128 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.558 -11.536 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.052 -10.444 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.340 -13.143 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.148 -13.003 -2.307 1.00 0.00 H new ATOM 908 N ALA A 64 3.091 -12.549 -0.013 1.00 0.00 N ATOM 909 CA ALA A 64 3.761 -13.697 0.585 1.00 0.00 C ATOM 910 C ALA A 64 4.690 -13.264 1.714 1.00 0.00 C ATOM 911 O ALA A 64 4.813 -13.950 2.729 1.00 0.00 O ATOM 912 CB ALA A 64 4.537 -14.465 -0.475 1.00 0.00 C ATOM 0 H ALA A 64 3.510 -12.222 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 64 2.999 -14.352 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.033 -15.320 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.851 -14.815 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.284 -13.811 -0.924 1.00 0.00 H new ATOM 918 N LEU A 65 5.344 -12.122 1.530 1.00 0.00 N ATOM 919 CA LEU A 65 6.264 -11.597 2.534 1.00 0.00 C ATOM 920 C LEU A 65 5.529 -11.278 3.832 1.00 0.00 C ATOM 921 O LEU A 65 4.313 -11.445 3.925 1.00 0.00 O ATOM 922 CB LEU A 65 6.961 -10.341 2.008 1.00 0.00 C ATOM 923 CG LEU A 65 8.186 -10.575 1.122 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.550 -9.305 0.369 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.363 -11.059 1.956 1.00 0.00 C ATOM 0 H LEU A 65 5.255 -11.542 0.696 1.00 0.00 H new ATOM 0 HA LEU A 65 7.013 -12.362 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.235 -9.756 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.265 -9.734 2.861 1.00 0.00 H new ATOM 0 HG LEU A 65 7.941 -11.348 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.424 -9.490 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.712 -9.002 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.775 -8.512 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.225 -11.220 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.609 -10.309 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.099 -11.995 2.449 1.00 0.00 H new ATOM 937 N ASP A 66 6.275 -10.818 4.830 1.00 0.00 N ATOM 938 CA ASP A 66 5.694 -10.473 6.122 1.00 0.00 C ATOM 939 C ASP A 66 5.776 -8.970 6.370 1.00 0.00 C ATOM 940 O ASP A 66 6.253 -8.215 5.522 1.00 0.00 O ATOM 941 CB ASP A 66 6.409 -11.227 7.245 1.00 0.00 C ATOM 942 CG ASP A 66 5.943 -12.664 7.365 1.00 0.00 C ATOM 943 OD1 ASP A 66 4.954 -12.909 8.088 1.00 0.00 O ATOM 944 OD2 ASP A 66 6.566 -13.544 6.736 1.00 0.00 O ATOM 0 H ASP A 66 7.283 -10.675 4.769 1.00 0.00 H new ATOM 0 HA ASP A 66 4.644 -10.765 6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.484 -11.211 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.238 -10.712 8.191 1.00 0.00 H new ATOM 949 N HIS A 67 5.305 -8.541 7.538 1.00 0.00 N ATOM 950 CA HIS A 67 5.325 -7.128 7.897 1.00 0.00 C ATOM 951 C HIS A 67 6.615 -6.465 7.425 1.00 0.00 C ATOM 952 O HIS A 67 6.593 -5.579 6.570 1.00 0.00 O ATOM 953 CB HIS A 67 5.176 -6.963 9.410 1.00 0.00 C ATOM 954 CG HIS A 67 5.234 -5.537 9.865 1.00 0.00 C ATOM 955 ND1 HIS A 67 4.273 -4.965 10.672 1.00 0.00 N ATOM 956 CD2 HIS A 67 6.146 -4.566 9.623 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.591 -3.704 10.906 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.723 -3.437 10.281 1.00 0.00 N ATOM 0 H HIS A 67 4.905 -9.152 8.251 1.00 0.00 H new ATOM 0 HA HIS A 67 4.485 -6.641 7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.227 -7.397 9.723 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.964 -7.527 9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.040 -4.661 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.022 -3.010 11.506 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.205 -2.538 10.286 1.00 0.00 H new ATOM 967 N ASP A 68 7.737 -6.898 7.988 1.00 0.00 N ATOM 968 CA ASP A 68 9.038 -6.347 7.625 1.00 0.00 C ATOM 969 C ASP A 68 9.286 -6.482 6.126 1.00 0.00 C ATOM 970 O ASP A 68 9.787 -5.560 5.483 1.00 0.00 O ATOM 971 CB ASP A 68 10.150 -7.050 8.404 1.00 0.00 C ATOM 972 CG ASP A 68 10.351 -6.460 9.786 1.00 0.00 C ATOM 973 OD1 ASP A 68 9.396 -5.856 10.318 1.00 0.00 O ATOM 974 OD2 ASP A 68 11.463 -6.603 10.335 1.00 0.00 O ATOM 0 H ASP A 68 7.772 -7.629 8.698 1.00 0.00 H new ATOM 0 HA ASP A 68 9.040 -5.288 7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.911 -8.110 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.082 -6.981 7.843 1.00 0.00 H new ATOM 979 N GLY A 69 8.932 -7.640 5.574 1.00 0.00 N ATOM 980 CA GLY A 69 9.125 -7.875 4.156 1.00 0.00 C ATOM 981 C GLY A 69 8.430 -6.838 3.296 1.00 0.00 C ATOM 982 O GLY A 69 9.082 -6.069 2.589 1.00 0.00 O ATOM 0 H GLY A 69 8.515 -8.418 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.192 -7.872 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.749 -8.866 3.901 1.00 0.00 H new ATOM 986 N VAL A 70 7.102 -6.817 3.354 1.00 0.00 N ATOM 987 CA VAL A 70 6.318 -5.867 2.574 1.00 0.00 C ATOM 988 C VAL A 70 6.777 -4.436 2.829 1.00 0.00 C ATOM 989 O VAL A 70 7.076 -3.692 1.895 1.00 0.00 O ATOM 990 CB VAL A 70 4.817 -5.979 2.898 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.011 -5.021 2.034 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.337 -7.411 2.712 1.00 0.00 C ATOM 0 H VAL A 70 6.547 -7.447 3.933 1.00 0.00 H new ATOM 0 HA VAL A 70 6.474 -6.114 1.524 1.00 0.00 H new ATOM 0 HB VAL A 70 4.667 -5.703 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.953 -5.114 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.338 -3.998 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.164 -5.263 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.274 -7.472 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.500 -7.718 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.893 -8.071 3.378 1.00 0.00 H new ATOM 1002 N VAL A 71 6.830 -4.055 4.102 1.00 0.00 N ATOM 1003 CA VAL A 71 7.254 -2.713 4.481 1.00 0.00 C ATOM 1004 C VAL A 71 8.591 -2.357 3.842 1.00 0.00 C ATOM 1005 O VAL A 71 8.844 -1.199 3.513 1.00 0.00 O ATOM 1006 CB VAL A 71 7.374 -2.573 6.010 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.990 -1.232 6.377 1.00 0.00 C ATOM 1008 CG2 VAL A 71 6.014 -2.743 6.669 1.00 0.00 C ATOM 0 H VAL A 71 6.584 -4.657 4.888 1.00 0.00 H new ATOM 0 HA VAL A 71 6.489 -2.026 4.120 1.00 0.00 H new ATOM 0 HB VAL A 71 8.031 -3.360 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.067 -1.151 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.984 -1.155 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.361 -0.427 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.118 -2.641 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.331 -1.979 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.617 -3.731 6.434 1.00 0.00 H new ATOM 1018 N GLU A 72 9.444 -3.363 3.670 1.00 0.00 N ATOM 1019 CA GLU A 72 10.757 -3.155 3.070 1.00 0.00 C ATOM 1020 C GLU A 72 10.627 -2.725 1.612 1.00 0.00 C ATOM 1021 O GLU A 72 11.133 -1.675 1.216 1.00 0.00 O ATOM 1022 CB GLU A 72 11.592 -4.434 3.163 1.00 0.00 C ATOM 1023 CG GLU A 72 13.010 -4.274 2.641 1.00 0.00 C ATOM 1024 CD GLU A 72 14.003 -5.162 3.366 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.699 -5.587 4.500 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.083 -5.430 2.800 1.00 0.00 O ATOM 0 H GLU A 72 9.250 -4.328 3.937 1.00 0.00 H new ATOM 0 HA GLU A 72 11.259 -2.360 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.631 -4.758 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.094 -5.225 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.030 -4.507 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.316 -3.233 2.745 1.00 0.00 H new ATOM 1033 N MET A 73 9.946 -3.544 0.818 1.00 0.00 N ATOM 1034 CA MET A 73 9.749 -3.248 -0.597 1.00 0.00 C ATOM 1035 C MET A 73 9.443 -1.768 -0.805 1.00 0.00 C ATOM 1036 O MET A 73 9.905 -1.159 -1.770 1.00 0.00 O ATOM 1037 CB MET A 73 8.612 -4.101 -1.165 1.00 0.00 C ATOM 1038 CG MET A 73 8.887 -5.595 -1.108 1.00 0.00 C ATOM 1039 SD MET A 73 9.840 -6.180 -2.522 1.00 0.00 S ATOM 1040 CE MET A 73 8.831 -7.558 -3.063 1.00 0.00 C ATOM 0 H MET A 73 9.521 -4.417 1.129 1.00 0.00 H new ATOM 0 HA MET A 73 10.672 -3.488 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.697 -3.887 -0.613 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.434 -3.812 -2.201 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.427 -5.826 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.940 -6.133 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.342 -8.090 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.663 -8.237 -2.227 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.873 -7.187 -3.427 1.00 0.00 H new ATOM 1050 N ILE A 74 8.661 -1.197 0.105 1.00 0.00 N ATOM 1051 CA ILE A 74 8.295 0.212 0.020 1.00 0.00 C ATOM 1052 C ILE A 74 9.475 1.109 0.378 1.00 0.00 C ATOM 1053 O ILE A 74 9.753 2.090 -0.312 1.00 0.00 O ATOM 1054 CB ILE A 74 7.112 0.543 0.950 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.873 -0.255 0.539 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.820 2.036 0.924 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.918 -0.518 1.682 1.00 0.00 C ATOM 0 H ILE A 74 8.269 -1.687 0.909 1.00 0.00 H new ATOM 0 HA ILE A 74 7.999 0.400 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 74 7.380 0.263 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.346 0.286 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.189 -1.207 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.982 2.254 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.700 2.585 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.569 2.340 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.063 -1.088 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.429 -1.086 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.573 0.431 2.093 1.00 0.00 H new ATOM 1069 N ARG A 75 10.167 0.765 1.459 1.00 0.00 N ATOM 1070 CA ARG A 75 11.318 1.539 1.908 1.00 0.00 C ATOM 1071 C ARG A 75 12.408 1.560 0.841 1.00 0.00 C ATOM 1072 O ARG A 75 12.929 2.619 0.491 1.00 0.00 O ATOM 1073 CB ARG A 75 11.873 0.958 3.210 1.00 0.00 C ATOM 1074 CG ARG A 75 11.079 1.357 4.443 1.00 0.00 C ATOM 1075 CD ARG A 75 11.682 0.767 5.708 1.00 0.00 C ATOM 1076 NE ARG A 75 12.685 1.649 6.299 1.00 0.00 N ATOM 1077 CZ ARG A 75 13.235 1.443 7.491 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.881 0.389 8.214 1.00 0.00 N ATOM 1079 NH2 ARG A 75 14.141 2.291 7.961 1.00 0.00 N ATOM 0 H ARG A 75 9.951 -0.045 2.040 1.00 0.00 H new ATOM 0 HA ARG A 75 10.989 2.563 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.889 -0.129 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.906 1.284 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.052 2.444 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.048 1.019 4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.891 0.580 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.137 -0.196 5.478 1.00 0.00 H new ATOM 0 HE ARG A 75 12.980 2.468 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.185 -0.265 7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.304 0.233 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.416 3.102 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.562 2.132 8.876 1.00 0.00 H new ATOM 1093 N LYS A 76 12.750 0.383 0.328 1.00 0.00 N ATOM 1094 CA LYS A 76 13.777 0.264 -0.699 1.00 0.00 C ATOM 1095 C LYS A 76 13.347 0.966 -1.983 1.00 0.00 C ATOM 1096 O LYS A 76 14.144 1.142 -2.903 1.00 0.00 O ATOM 1097 CB LYS A 76 14.074 -1.209 -0.986 1.00 0.00 C ATOM 1098 CG LYS A 76 13.003 -1.895 -1.817 1.00 0.00 C ATOM 1099 CD LYS A 76 13.573 -3.056 -2.614 1.00 0.00 C ATOM 1100 CE LYS A 76 13.502 -4.358 -1.831 1.00 0.00 C ATOM 1101 NZ LYS A 76 14.687 -4.538 -0.947 1.00 0.00 N ATOM 0 H LYS A 76 12.330 -0.503 0.608 1.00 0.00 H new ATOM 0 HA LYS A 76 14.682 0.745 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.029 -1.284 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.184 -1.740 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.210 -2.257 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.551 -1.173 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.023 -3.162 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.609 -2.844 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.594 -4.370 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.436 -5.196 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.698 -5.509 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.556 -4.366 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.636 -3.864 -0.156 1.00 0.00 H new ATOM 1115 N GLY A 77 12.080 1.367 -2.037 1.00 0.00 N ATOM 1116 CA GLY A 77 11.566 2.046 -3.212 1.00 0.00 C ATOM 1117 C GLY A 77 11.696 3.553 -3.113 1.00 0.00 C ATOM 1118 O GLY A 77 10.730 4.282 -3.337 1.00 0.00 O ATOM 0 H GLY A 77 11.401 1.234 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.102 1.695 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.517 1.783 -3.350 1.00 0.00 H new ATOM 1122 N GLY A 78 12.893 4.022 -2.775 1.00 0.00 N ATOM 1123 CA GLY A 78 13.123 5.450 -2.651 1.00 0.00 C ATOM 1124 C GLY A 78 12.054 6.139 -1.826 1.00 0.00 C ATOM 1125 O GLY A 78 11.551 5.576 -0.854 1.00 0.00 O ATOM 0 H GLY A 78 13.708 3.439 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.097 5.620 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.156 5.897 -3.644 1.00 0.00 H new ATOM 1129 N ASP A 79 11.708 7.362 -2.213 1.00 0.00 N ATOM 1130 CA ASP A 79 10.693 8.130 -1.501 1.00 0.00 C ATOM 1131 C ASP A 79 9.297 7.796 -2.019 1.00 0.00 C ATOM 1132 O ASP A 79 8.334 7.760 -1.254 1.00 0.00 O ATOM 1133 CB ASP A 79 10.960 9.629 -1.649 1.00 0.00 C ATOM 1134 CG ASP A 79 12.129 10.095 -0.804 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.090 9.889 0.428 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.083 10.664 -1.373 1.00 0.00 O ATOM 0 H ASP A 79 12.115 7.843 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 79 10.744 7.862 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.158 9.858 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.066 10.184 -1.365 1.00 0.00 H new ATOM 1141 N GLN A 80 9.197 7.554 -3.322 1.00 0.00 N ATOM 1142 CA GLN A 80 7.919 7.225 -3.941 1.00 0.00 C ATOM 1143 C GLN A 80 7.860 5.748 -4.317 1.00 0.00 C ATOM 1144 O GLN A 80 8.884 5.128 -4.607 1.00 0.00 O ATOM 1145 CB GLN A 80 7.692 8.088 -5.183 1.00 0.00 C ATOM 1146 CG GLN A 80 8.518 7.656 -6.384 1.00 0.00 C ATOM 1147 CD GLN A 80 8.458 8.654 -7.524 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.008 9.751 -7.432 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.789 8.276 -8.606 1.00 0.00 N ATOM 0 H GLN A 80 9.985 7.580 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 80 7.131 7.429 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.635 8.056 -5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.929 9.124 -4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.555 7.523 -6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.162 6.687 -6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.349 7.357 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.715 8.905 -9.406 1.00 0.00 H new ATOM 1158 N THR A 81 6.654 5.188 -4.309 1.00 0.00 N ATOM 1159 CA THR A 81 6.462 3.783 -4.647 1.00 0.00 C ATOM 1160 C THR A 81 5.020 3.509 -5.059 1.00 0.00 C ATOM 1161 O THR A 81 4.106 4.249 -4.691 1.00 0.00 O ATOM 1162 CB THR A 81 6.829 2.865 -3.466 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.577 1.499 -3.810 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.032 3.236 -2.224 1.00 0.00 C ATOM 0 H THR A 81 5.796 5.686 -4.072 1.00 0.00 H new ATOM 0 HA THR A 81 7.125 3.567 -5.485 1.00 0.00 H new ATOM 0 HB THR A 81 7.890 2.995 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.815 0.922 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.308 2.574 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.249 4.268 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.967 3.132 -2.431 1.00 0.00 H new ATOM 1172 N THR A 82 4.820 2.441 -5.824 1.00 0.00 N ATOM 1173 CA THR A 82 3.489 2.069 -6.287 1.00 0.00 C ATOM 1174 C THR A 82 2.893 0.968 -5.418 1.00 0.00 C ATOM 1175 O THR A 82 3.575 0.006 -5.062 1.00 0.00 O ATOM 1176 CB THR A 82 3.515 1.595 -7.752 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.276 2.509 -8.549 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.104 1.480 -8.309 1.00 0.00 C ATOM 0 H THR A 82 5.564 1.817 -6.137 1.00 0.00 H new ATOM 0 HA THR A 82 2.868 2.962 -6.214 1.00 0.00 H new ATOM 0 HB THR A 82 3.982 0.611 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.289 2.200 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.148 1.144 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.537 0.761 -7.718 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.615 2.453 -8.264 1.00 0.00 H new ATOM 1186 N LEU A 83 1.616 1.113 -5.080 1.00 0.00 N ATOM 1187 CA LEU A 83 0.927 0.129 -4.253 1.00 0.00 C ATOM 1188 C LEU A 83 -0.241 -0.496 -5.009 1.00 0.00 C ATOM 1189 O LEU A 83 -1.024 0.204 -5.653 1.00 0.00 O ATOM 1190 CB LEU A 83 0.424 0.780 -2.963 1.00 0.00 C ATOM 1191 CG LEU A 83 1.258 1.945 -2.430 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.909 2.230 -0.977 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.744 1.647 -2.575 1.00 0.00 C ATOM 0 H LEU A 83 1.037 1.903 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 83 1.637 -0.659 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.593 1.134 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.371 0.014 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 83 1.026 2.833 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.512 3.062 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.147 2.487 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.112 1.345 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.323 2.487 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.991 0.748 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.983 1.493 -3.627 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.353 -1.818 -4.926 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.427 -2.538 -5.601 1.00 0.00 C ATOM 1207 C LEU A 84 -2.381 -3.166 -4.590 1.00 0.00 C ATOM 1208 O LEU A 84 -2.089 -4.214 -4.014 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.847 -3.620 -6.513 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.842 -4.323 -7.438 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.496 -3.322 -8.378 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.150 -5.426 -8.226 1.00 0.00 C ATOM 0 H LEU A 84 0.286 -2.412 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.987 -1.824 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.067 -3.170 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.367 -4.374 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.621 -4.776 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.201 -3.840 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.026 -2.569 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.730 -2.839 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.873 -5.915 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.350 -4.996 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.731 -6.158 -7.536 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.523 -2.520 -4.381 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.522 -3.017 -3.442 1.00 0.00 C ATOM 1226 C VAL A 85 -5.666 -3.711 -4.173 1.00 0.00 C ATOM 1227 O VAL A 85 -5.967 -3.391 -5.324 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.096 -1.878 -2.578 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.986 -0.945 -2.119 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.163 -1.113 -3.347 1.00 0.00 C ATOM 0 H VAL A 85 -3.780 -1.651 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.019 -3.736 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.560 -2.314 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.410 -0.147 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.261 -1.505 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.490 -0.514 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.558 -0.312 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.726 -0.687 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.971 -1.791 -3.621 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.300 -4.663 -3.498 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.413 -5.404 -4.082 1.00 0.00 C ATOM 1242 C LEU A 86 -8.749 -4.799 -3.664 1.00 0.00 C ATOM 1243 O LEU A 86 -8.971 -4.513 -2.487 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.350 -6.873 -3.661 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.901 -7.884 -4.668 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.276 -7.456 -5.156 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -6.944 -8.045 -5.840 1.00 0.00 C ATOM 0 H LEU A 86 -6.063 -4.940 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.331 -5.340 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.310 -7.127 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.898 -6.986 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.999 -8.848 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.652 -8.187 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.959 -7.393 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.204 -6.481 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.352 -8.768 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.814 -7.084 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.979 -8.398 -5.476 1.00 0.00 H new