USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 52 THR OG1 : rot 180:sc= 0.103 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 153:sc= 0.445 (180deg=0) USER MOD Set 2.1: A 19 CYS SG : rot -44:sc= 0.262 USER MOD Set 2.2: A 22 THR OG1 : rot -25:sc= 0.525 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.115 (180deg=-0.972) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.725 K(o=-0.73,f=-1.6) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.415 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 72:sc= 0.871 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -176:sc= -0.19 (180deg=-0.248) USER MOD Single : A 43 THR OG1 : rot -130:sc= -2.5! USER MOD Single : A 44 THR OG1 : rot 69:sc= 1.04 USER MOD Single : A 46 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.019) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-0.82!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.46) USER MOD Single : A 62 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-7.8!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 64 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.319 5.694 9.900 1.00 1.00 N ATOM 2 CA MET A 1 76.902 5.279 9.697 1.00 1.00 C ATOM 3 C MET A 1 76.053 5.800 10.852 1.00 1.00 C ATOM 4 O MET A 1 76.574 6.356 11.818 1.00 1.00 O ATOM 5 CB MET A 1 76.823 3.752 9.639 1.00 1.00 C ATOM 6 CG MET A 1 78.070 3.204 8.940 1.00 1.00 C ATOM 7 SD MET A 1 77.749 1.513 8.377 1.00 1.00 S ATOM 8 CE MET A 1 78.342 0.664 9.860 1.00 1.00 C ATOM 0 H1 MET A 1 78.831 5.634 8.997 1.00 1.00 H new ATOM 0 H2 MET A 1 78.347 6.673 10.250 1.00 1.00 H new ATOM 0 H3 MET A 1 78.769 5.065 10.596 1.00 1.00 H new ATOM 0 HA MET A 1 76.527 5.693 8.761 1.00 1.00 H new ATOM 0 HB2 MET A 1 76.748 3.342 10.646 1.00 1.00 H new ATOM 0 HB3 MET A 1 75.926 3.443 9.102 1.00 1.00 H new ATOM 0 HG2 MET A 1 78.334 3.837 8.093 1.00 1.00 H new ATOM 0 HG3 MET A 1 78.919 3.217 9.624 1.00 1.00 H new ATOM 0 HE1 MET A 1 78.235 -0.413 9.730 1.00 1.00 H new ATOM 0 HE2 MET A 1 79.392 0.907 10.023 1.00 1.00 H new ATOM 0 HE3 MET A 1 77.757 0.985 10.722 1.00 1.00 H new ATOM 20 N GLU A 2 74.740 5.616 10.744 1.00 1.00 N ATOM 21 CA GLU A 2 73.828 6.072 11.786 1.00 1.00 C ATOM 22 C GLU A 2 74.097 5.336 13.094 1.00 1.00 C ATOM 23 O GLU A 2 73.614 5.735 14.153 1.00 1.00 O ATOM 24 CB GLU A 2 72.380 5.833 11.353 1.00 1.00 C ATOM 25 CG GLU A 2 71.948 6.936 10.384 1.00 1.00 C ATOM 26 CD GLU A 2 73.061 7.208 9.375 1.00 1.00 C ATOM 27 OE1 GLU A 2 73.236 6.395 8.483 1.00 1.00 O ATOM 28 OE2 GLU A 2 73.720 8.225 9.512 1.00 1.00 O ATOM 0 H GLU A 2 74.288 5.158 9.953 1.00 1.00 H new ATOM 0 HA GLU A 2 73.990 7.138 11.943 1.00 1.00 H new ATOM 0 HB2 GLU A 2 72.289 4.858 10.875 1.00 1.00 H new ATOM 0 HB3 GLU A 2 71.726 5.823 12.225 1.00 1.00 H new ATOM 0 HG2 GLU A 2 71.038 6.638 9.863 1.00 1.00 H new ATOM 0 HG3 GLU A 2 71.716 7.847 10.936 1.00 1.00 H new ATOM 35 N GLU A 3 74.872 4.259 13.012 1.00 1.00 N ATOM 36 CA GLU A 3 75.199 3.473 14.197 1.00 1.00 C ATOM 37 C GLU A 3 76.221 4.206 15.060 1.00 1.00 C ATOM 38 O GLU A 3 77.263 3.650 15.411 1.00 1.00 O ATOM 39 CB GLU A 3 75.759 2.111 13.782 1.00 1.00 C ATOM 40 CG GLU A 3 74.650 1.277 13.139 1.00 1.00 C ATOM 41 CD GLU A 3 75.238 0.004 12.539 1.00 1.00 C ATOM 42 OE1 GLU A 3 76.090 -0.590 13.179 1.00 1.00 O ATOM 43 OE2 GLU A 3 74.827 -0.357 11.448 1.00 1.00 O ATOM 0 H GLU A 3 75.282 3.912 12.145 1.00 1.00 H new ATOM 0 HA GLU A 3 74.288 3.328 14.778 1.00 1.00 H new ATOM 0 HB2 GLU A 3 76.582 2.243 13.080 1.00 1.00 H new ATOM 0 HB3 GLU A 3 76.162 1.591 14.651 1.00 1.00 H new ATOM 0 HG2 GLU A 3 73.896 1.023 13.884 1.00 1.00 H new ATOM 0 HG3 GLU A 3 74.150 1.857 12.364 1.00 1.00 H new ATOM 50 N GLY A 4 75.918 5.455 15.397 1.00 1.00 N ATOM 51 CA GLY A 4 76.818 6.254 16.219 1.00 1.00 C ATOM 52 C GLY A 4 76.324 6.323 17.660 1.00 1.00 C ATOM 53 O GLY A 4 76.100 7.407 18.198 1.00 1.00 O ATOM 0 H GLY A 4 75.062 5.933 15.116 1.00 1.00 H new ATOM 0 HA2 GLY A 4 77.819 5.823 16.194 1.00 1.00 H new ATOM 0 HA3 GLY A 4 76.894 7.261 15.808 1.00 1.00 H new ATOM 57 N GLY A 5 76.158 5.159 18.279 1.00 1.00 N ATOM 58 CA GLY A 5 75.690 5.100 19.659 1.00 1.00 C ATOM 59 C GLY A 5 76.863 5.017 20.629 1.00 1.00 C ATOM 60 O GLY A 5 77.696 5.921 20.689 1.00 1.00 O ATOM 0 H GLY A 5 76.339 4.251 17.851 1.00 1.00 H new ATOM 0 HA2 GLY A 5 75.091 5.983 19.882 1.00 1.00 H new ATOM 0 HA3 GLY A 5 75.042 4.233 19.791 1.00 1.00 H new ATOM 64 N ASP A 6 76.922 3.926 21.388 1.00 1.00 N ATOM 65 CA ASP A 6 77.998 3.737 22.353 1.00 1.00 C ATOM 66 C ASP A 6 78.488 2.293 22.332 1.00 1.00 C ATOM 67 O ASP A 6 79.302 1.891 23.163 1.00 1.00 O ATOM 68 CB ASP A 6 77.508 4.091 23.758 1.00 1.00 C ATOM 69 CG ASP A 6 76.974 5.519 23.780 1.00 1.00 C ATOM 70 OD1 ASP A 6 77.768 6.424 23.980 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.780 5.687 23.597 1.00 1.00 O ATOM 0 H ASP A 6 76.243 3.166 21.354 1.00 1.00 H new ATOM 0 HA ASP A 6 78.824 4.394 22.081 1.00 1.00 H new ATOM 0 HB2 ASP A 6 76.726 3.397 24.065 1.00 1.00 H new ATOM 0 HB3 ASP A 6 78.324 3.988 24.473 1.00 1.00 H new ATOM 76 N PHE A 7 77.986 1.516 21.376 1.00 1.00 N ATOM 77 CA PHE A 7 78.380 0.118 21.256 1.00 1.00 C ATOM 78 C PHE A 7 77.971 -0.663 22.502 1.00 1.00 C ATOM 79 O PHE A 7 78.734 -1.485 23.009 1.00 1.00 O ATOM 80 CB PHE A 7 79.895 0.017 21.063 1.00 1.00 C ATOM 81 CG PHE A 7 80.216 -1.205 20.236 1.00 1.00 C ATOM 82 CD1 PHE A 7 79.960 -1.207 18.860 1.00 1.00 C ATOM 83 CD2 PHE A 7 80.771 -2.337 20.846 1.00 1.00 C ATOM 84 CE1 PHE A 7 80.257 -2.339 18.093 1.00 1.00 C ATOM 85 CE2 PHE A 7 81.069 -3.470 20.080 1.00 1.00 C ATOM 86 CZ PHE A 7 80.812 -3.472 18.703 1.00 1.00 C ATOM 0 H PHE A 7 77.311 1.829 20.679 1.00 1.00 H new ATOM 0 HA PHE A 7 77.874 -0.310 20.390 1.00 1.00 H new ATOM 0 HB2 PHE A 7 80.270 0.913 20.568 1.00 1.00 H new ATOM 0 HB3 PHE A 7 80.392 -0.045 22.031 1.00 1.00 H new ATOM 0 HD1 PHE A 7 79.533 -0.334 18.390 1.00 1.00 H new ATOM 0 HD2 PHE A 7 80.969 -2.336 21.908 1.00 1.00 H new ATOM 0 HE1 PHE A 7 80.059 -2.340 17.031 1.00 1.00 H new ATOM 0 HE2 PHE A 7 81.497 -4.343 20.551 1.00 1.00 H new ATOM 0 HZ PHE A 7 81.041 -4.346 18.112 1.00 1.00 H new ATOM 96 N ASP A 8 76.764 -0.399 22.989 1.00 1.00 N ATOM 97 CA ASP A 8 76.263 -1.083 24.176 1.00 1.00 C ATOM 98 C ASP A 8 74.746 -1.227 24.112 1.00 1.00 C ATOM 99 O ASP A 8 74.037 -0.838 25.039 1.00 1.00 O ATOM 100 CB ASP A 8 76.652 -0.301 25.431 1.00 1.00 C ATOM 101 CG ASP A 8 78.170 -0.238 25.559 1.00 1.00 C ATOM 102 OD1 ASP A 8 78.752 -1.231 25.962 1.00 1.00 O ATOM 103 OD2 ASP A 8 78.727 0.803 25.252 1.00 1.00 O ATOM 0 H ASP A 8 76.118 0.279 22.584 1.00 1.00 H new ATOM 0 HA ASP A 8 76.708 -2.077 24.215 1.00 1.00 H new ATOM 0 HB2 ASP A 8 76.241 0.707 25.383 1.00 1.00 H new ATOM 0 HB3 ASP A 8 76.224 -0.777 26.313 1.00 1.00 H new ATOM 108 N ASN A 9 74.255 -1.789 23.012 1.00 1.00 N ATOM 109 CA ASN A 9 72.820 -1.979 22.838 1.00 1.00 C ATOM 110 C ASN A 9 72.537 -3.300 22.129 1.00 1.00 C ATOM 111 O ASN A 9 71.616 -4.029 22.499 1.00 1.00 O ATOM 112 CB ASN A 9 72.235 -0.825 22.023 1.00 1.00 C ATOM 113 CG ASN A 9 71.038 -0.225 22.753 1.00 1.00 C ATOM 114 OD1 ASN A 9 69.895 -0.427 22.342 1.00 1.00 O ATOM 115 ND2 ASN A 9 71.232 0.503 23.817 1.00 1.00 N ATOM 0 H ASN A 9 74.825 -2.119 22.233 1.00 1.00 H new ATOM 0 HA ASN A 9 72.353 -2.001 23.823 1.00 1.00 H new ATOM 0 HB2 ASN A 9 72.995 -0.060 21.863 1.00 1.00 H new ATOM 0 HB3 ASN A 9 71.930 -1.182 21.039 1.00 1.00 H new ATOM 0 HD21 ASN A 9 70.436 0.907 24.311 1.00 1.00 H new ATOM 0 HD22 ASN A 9 72.180 0.669 24.156 1.00 1.00 H new ATOM 122 N TYR A 10 73.334 -3.601 21.109 1.00 1.00 N ATOM 123 CA TYR A 10 73.159 -4.837 20.354 1.00 1.00 C ATOM 124 C TYR A 10 74.181 -5.881 20.793 1.00 1.00 C ATOM 125 O TYR A 10 74.309 -6.937 20.173 1.00 1.00 O ATOM 126 CB TYR A 10 73.316 -4.562 18.858 1.00 1.00 C ATOM 127 CG TYR A 10 72.556 -3.309 18.493 1.00 1.00 C ATOM 128 CD1 TYR A 10 71.157 -3.333 18.429 1.00 1.00 C ATOM 129 CD2 TYR A 10 73.249 -2.124 18.219 1.00 1.00 C ATOM 130 CE1 TYR A 10 70.452 -2.171 18.092 1.00 1.00 C ATOM 131 CE2 TYR A 10 72.544 -0.963 17.881 1.00 1.00 C ATOM 132 CZ TYR A 10 71.146 -0.986 17.817 1.00 1.00 C ATOM 133 OH TYR A 10 70.450 0.158 17.484 1.00 1.00 O ATOM 0 H TYR A 10 74.102 -3.011 20.788 1.00 1.00 H new ATOM 0 HA TYR A 10 72.158 -5.221 20.548 1.00 1.00 H new ATOM 0 HB2 TYR A 10 74.371 -4.446 18.608 1.00 1.00 H new ATOM 0 HB3 TYR A 10 72.942 -5.408 18.281 1.00 1.00 H new ATOM 0 HD1 TYR A 10 70.622 -4.247 18.639 1.00 1.00 H new ATOM 0 HD2 TYR A 10 74.328 -2.106 18.268 1.00 1.00 H new ATOM 0 HE1 TYR A 10 69.373 -2.189 18.044 1.00 1.00 H new ATOM 0 HE2 TYR A 10 73.079 -0.049 17.669 1.00 1.00 H new ATOM 0 HH TYR A 10 71.081 0.890 17.325 1.00 1.00 H new ATOM 143 N TYR A 11 74.903 -5.579 21.867 1.00 1.00 N ATOM 144 CA TYR A 11 75.912 -6.498 22.384 1.00 1.00 C ATOM 145 C TYR A 11 76.693 -7.140 21.242 1.00 1.00 C ATOM 146 O TYR A 11 76.999 -8.331 21.280 1.00 1.00 O ATOM 147 CB TYR A 11 75.242 -7.588 23.223 1.00 1.00 C ATOM 148 CG TYR A 11 73.940 -7.066 23.781 1.00 1.00 C ATOM 149 CD1 TYR A 11 72.759 -7.202 23.042 1.00 1.00 C ATOM 150 CD2 TYR A 11 73.914 -6.447 25.036 1.00 1.00 C ATOM 151 CE1 TYR A 11 71.550 -6.719 23.559 1.00 1.00 C ATOM 152 CE2 TYR A 11 72.705 -5.964 25.553 1.00 1.00 C ATOM 153 CZ TYR A 11 71.524 -6.099 24.814 1.00 1.00 C ATOM 154 OH TYR A 11 70.333 -5.623 25.324 1.00 1.00 O ATOM 0 H TYR A 11 74.810 -4.711 22.394 1.00 1.00 H new ATOM 0 HA TYR A 11 76.605 -5.932 23.007 1.00 1.00 H new ATOM 0 HB2 TYR A 11 75.059 -8.472 22.611 1.00 1.00 H new ATOM 0 HB3 TYR A 11 75.902 -7.893 24.035 1.00 1.00 H new ATOM 0 HD1 TYR A 11 72.780 -7.679 22.073 1.00 1.00 H new ATOM 0 HD2 TYR A 11 74.826 -6.342 25.606 1.00 1.00 H new ATOM 0 HE1 TYR A 11 70.638 -6.825 22.990 1.00 1.00 H new ATOM 0 HE2 TYR A 11 72.684 -5.487 26.522 1.00 1.00 H new ATOM 0 HH TYR A 11 70.491 -5.223 26.205 1.00 1.00 H new ATOM 164 N GLY A 12 77.017 -6.341 20.231 1.00 1.00 N ATOM 165 CA GLY A 12 77.767 -6.842 19.085 1.00 1.00 C ATOM 166 C GLY A 12 76.836 -7.193 17.929 1.00 1.00 C ATOM 167 O GLY A 12 77.015 -8.215 17.268 1.00 1.00 O ATOM 0 H GLY A 12 76.774 -5.352 20.181 1.00 1.00 H new ATOM 0 HA2 GLY A 12 78.487 -6.090 18.761 1.00 1.00 H new ATOM 0 HA3 GLY A 12 78.337 -7.724 19.377 1.00 1.00 H new ATOM 171 N ALA A 13 75.840 -6.340 17.696 1.00 1.00 N ATOM 172 CA ALA A 13 74.880 -6.564 16.620 1.00 1.00 C ATOM 173 C ALA A 13 73.796 -7.534 17.073 1.00 1.00 C ATOM 174 O ALA A 13 72.663 -7.480 16.595 1.00 1.00 O ATOM 175 CB ALA A 13 75.586 -7.121 15.380 1.00 1.00 C ATOM 0 H ALA A 13 75.678 -5.490 18.237 1.00 1.00 H new ATOM 0 HA ALA A 13 74.421 -5.609 16.366 1.00 1.00 H new ATOM 0 HB1 ALA A 13 74.856 -7.282 14.587 1.00 1.00 H new ATOM 0 HB2 ALA A 13 76.339 -6.410 15.040 1.00 1.00 H new ATOM 0 HB3 ALA A 13 76.066 -8.067 15.629 1.00 1.00 H new ATOM 181 N ASP A 14 74.150 -8.412 18.003 1.00 1.00 N ATOM 182 CA ASP A 14 73.196 -9.384 18.519 1.00 1.00 C ATOM 183 C ASP A 14 72.668 -10.271 17.396 1.00 1.00 C ATOM 184 O ASP A 14 71.819 -11.134 17.619 1.00 1.00 O ATOM 185 CB ASP A 14 72.032 -8.650 19.186 1.00 1.00 C ATOM 186 CG ASP A 14 70.752 -8.861 18.384 1.00 1.00 C ATOM 187 OD1 ASP A 14 70.538 -8.117 17.441 1.00 1.00 O ATOM 188 OD2 ASP A 14 70.005 -9.763 18.724 1.00 1.00 O ATOM 0 H ASP A 14 75.082 -8.471 18.412 1.00 1.00 H new ATOM 0 HA ASP A 14 73.701 -10.016 19.250 1.00 1.00 H new ATOM 0 HB2 ASP A 14 71.897 -9.015 20.204 1.00 1.00 H new ATOM 0 HB3 ASP A 14 72.255 -7.585 19.256 1.00 1.00 H new ATOM 193 N ASN A 15 73.177 -10.053 16.186 1.00 1.00 N ATOM 194 CA ASN A 15 72.750 -10.839 15.036 1.00 1.00 C ATOM 195 C ASN A 15 73.946 -11.206 14.163 1.00 1.00 C ATOM 196 O ASN A 15 74.176 -10.594 13.120 1.00 1.00 O ATOM 197 CB ASN A 15 71.736 -10.046 14.209 1.00 1.00 C ATOM 198 CG ASN A 15 70.345 -10.183 14.818 1.00 1.00 C ATOM 199 OD1 ASN A 15 69.765 -9.195 15.270 1.00 1.00 O ATOM 200 ND2 ASN A 15 69.773 -11.355 14.859 1.00 1.00 N ATOM 0 H ASN A 15 73.880 -9.344 15.979 1.00 1.00 H new ATOM 0 HA ASN A 15 72.285 -11.756 15.399 1.00 1.00 H new ATOM 0 HB2 ASN A 15 72.025 -8.996 14.174 1.00 1.00 H new ATOM 0 HB3 ASN A 15 71.729 -10.409 13.181 1.00 1.00 H new ATOM 0 HD21 ASN A 15 68.843 -11.455 15.266 1.00 1.00 H new ATOM 0 HD22 ASN A 15 70.256 -12.171 14.484 1.00 1.00 H new ATOM 207 N GLN A 16 74.705 -12.207 14.598 1.00 1.00 N ATOM 208 CA GLN A 16 75.875 -12.646 13.848 1.00 1.00 C ATOM 209 C GLN A 16 75.455 -13.415 12.599 1.00 1.00 C ATOM 210 O GLN A 16 75.910 -14.534 12.364 1.00 1.00 O ATOM 211 CB GLN A 16 76.754 -13.539 14.727 1.00 1.00 C ATOM 212 CG GLN A 16 77.267 -12.733 15.922 1.00 1.00 C ATOM 213 CD GLN A 16 76.777 -13.360 17.222 1.00 1.00 C ATOM 214 OE1 GLN A 16 77.384 -14.307 17.723 1.00 1.00 O ATOM 215 NE2 GLN A 16 75.709 -12.886 17.802 1.00 1.00 N ATOM 0 H GLN A 16 74.532 -12.726 15.459 1.00 1.00 H new ATOM 0 HA GLN A 16 76.440 -11.764 13.545 1.00 1.00 H new ATOM 0 HB2 GLN A 16 76.183 -14.400 15.074 1.00 1.00 H new ATOM 0 HB3 GLN A 16 77.593 -13.925 14.148 1.00 1.00 H new ATOM 0 HG2 GLN A 16 78.357 -12.704 15.911 1.00 1.00 H new ATOM 0 HG3 GLN A 16 76.920 -11.702 15.852 1.00 1.00 H new ATOM 0 HE21 GLN A 16 75.208 -12.101 17.385 1.00 1.00 H new ATOM 0 HE22 GLN A 16 75.375 -13.300 18.672 1.00 1.00 H new ATOM 224 N SER A 17 74.583 -12.805 11.802 1.00 1.00 N ATOM 225 CA SER A 17 74.108 -13.441 10.579 1.00 1.00 C ATOM 226 C SER A 17 73.132 -12.527 9.844 1.00 1.00 C ATOM 227 O SER A 17 73.221 -12.359 8.628 1.00 1.00 O ATOM 228 CB SER A 17 73.417 -14.764 10.913 1.00 1.00 C ATOM 229 OG SER A 17 73.015 -14.752 12.276 1.00 1.00 O ATOM 0 H SER A 17 74.194 -11.879 11.979 1.00 1.00 H new ATOM 0 HA SER A 17 74.966 -13.632 9.934 1.00 1.00 H new ATOM 0 HB2 SER A 17 72.551 -14.908 10.267 1.00 1.00 H new ATOM 0 HB3 SER A 17 74.094 -15.598 10.729 1.00 1.00 H new ATOM 0 HG SER A 17 72.570 -15.598 12.493 1.00 1.00 H new ATOM 235 N GLU A 18 72.201 -11.941 10.590 1.00 1.00 N ATOM 236 CA GLU A 18 71.214 -11.047 9.999 1.00 1.00 C ATOM 237 C GLU A 18 70.705 -11.609 8.676 1.00 1.00 C ATOM 238 O GLU A 18 70.786 -10.952 7.638 1.00 1.00 O ATOM 239 CB GLU A 18 71.833 -9.667 9.765 1.00 1.00 C ATOM 240 CG GLU A 18 70.722 -8.621 9.651 1.00 1.00 C ATOM 241 CD GLU A 18 71.325 -7.248 9.373 1.00 1.00 C ATOM 242 OE1 GLU A 18 72.061 -7.132 8.406 1.00 1.00 O ATOM 243 OE2 GLU A 18 71.042 -6.335 10.129 1.00 1.00 O ATOM 0 H GLU A 18 72.110 -12.068 11.598 1.00 1.00 H new ATOM 0 HA GLU A 18 70.375 -10.957 10.689 1.00 1.00 H new ATOM 0 HB2 GLU A 18 72.503 -9.413 10.587 1.00 1.00 H new ATOM 0 HB3 GLU A 18 72.433 -9.676 8.855 1.00 1.00 H new ATOM 0 HG2 GLU A 18 70.035 -8.894 8.850 1.00 1.00 H new ATOM 0 HG3 GLU A 18 70.142 -8.593 10.573 1.00 1.00 H new ATOM 250 N CYS A 19 70.181 -12.830 8.720 1.00 1.00 N ATOM 251 CA CYS A 19 69.662 -13.472 7.517 1.00 1.00 C ATOM 252 C CYS A 19 68.640 -12.573 6.830 1.00 1.00 C ATOM 253 O CYS A 19 68.191 -12.863 5.720 1.00 1.00 O ATOM 254 CB CYS A 19 69.010 -14.807 7.879 1.00 1.00 C ATOM 255 SG CYS A 19 70.061 -16.166 7.310 1.00 1.00 S ATOM 0 H CYS A 19 70.105 -13.391 9.568 1.00 1.00 H new ATOM 0 HA CYS A 19 70.492 -13.647 6.833 1.00 1.00 H new ATOM 0 HB2 CYS A 19 68.865 -14.872 8.957 1.00 1.00 H new ATOM 0 HB3 CYS A 19 68.024 -14.879 7.420 1.00 1.00 H new ATOM 0 HG CYS A 19 70.490 -15.910 6.110 1.00 1.00 H new ATOM 261 N GLU A 20 68.275 -11.482 7.496 1.00 1.00 N ATOM 262 CA GLU A 20 67.304 -10.548 6.938 1.00 1.00 C ATOM 263 C GLU A 20 67.791 -10.006 5.599 1.00 1.00 C ATOM 264 O GLU A 20 66.997 -9.541 4.780 1.00 1.00 O ATOM 265 CB GLU A 20 67.078 -9.388 7.909 1.00 1.00 C ATOM 266 CG GLU A 20 65.592 -9.024 7.934 1.00 1.00 C ATOM 267 CD GLU A 20 64.816 -10.058 8.744 1.00 1.00 C ATOM 268 OE1 GLU A 20 64.450 -11.074 8.175 1.00 1.00 O ATOM 269 OE2 GLU A 20 64.600 -9.819 9.921 1.00 1.00 O ATOM 0 H GLU A 20 68.634 -11.224 8.415 1.00 1.00 H new ATOM 0 HA GLU A 20 66.365 -11.079 6.782 1.00 1.00 H new ATOM 0 HB2 GLU A 20 67.412 -9.667 8.909 1.00 1.00 H new ATOM 0 HB3 GLU A 20 67.670 -8.525 7.604 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.459 -8.034 8.370 1.00 1.00 H new ATOM 0 HG3 GLU A 20 65.203 -8.980 6.917 1.00 1.00 H new ATOM 276 N TYR A 21 69.100 -10.066 5.381 1.00 1.00 N ATOM 277 CA TYR A 21 69.682 -9.578 4.136 1.00 1.00 C ATOM 278 C TYR A 21 69.998 -10.740 3.200 1.00 1.00 C ATOM 279 O TYR A 21 70.704 -10.574 2.205 1.00 1.00 O ATOM 280 CB TYR A 21 70.963 -8.795 4.430 1.00 1.00 C ATOM 281 CG TYR A 21 70.613 -7.368 4.778 1.00 1.00 C ATOM 282 CD1 TYR A 21 70.052 -7.068 6.025 1.00 1.00 C ATOM 283 CD2 TYR A 21 70.850 -6.345 3.853 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.728 -5.745 6.347 1.00 1.00 C ATOM 285 CE2 TYR A 21 70.526 -5.021 4.175 1.00 1.00 C ATOM 286 CZ TYR A 21 69.965 -4.721 5.422 1.00 1.00 C ATOM 287 OH TYR A 21 69.646 -3.417 5.739 1.00 1.00 O ATOM 0 H TYR A 21 69.775 -10.445 6.045 1.00 1.00 H new ATOM 0 HA TYR A 21 68.958 -8.922 3.651 1.00 1.00 H new ATOM 0 HB2 TYR A 21 71.504 -9.259 5.254 1.00 1.00 H new ATOM 0 HB3 TYR A 21 71.623 -8.818 3.563 1.00 1.00 H new ATOM 0 HD1 TYR A 21 69.869 -7.858 6.739 1.00 1.00 H new ATOM 0 HD2 TYR A 21 71.283 -6.576 2.891 1.00 1.00 H new ATOM 0 HE1 TYR A 21 69.295 -5.514 7.309 1.00 1.00 H new ATOM 0 HE2 TYR A 21 70.709 -4.231 3.461 1.00 1.00 H new ATOM 0 HH TYR A 21 69.876 -2.832 4.987 1.00 1.00 H new ATOM 297 N THR A 22 69.470 -11.915 3.524 1.00 1.00 N ATOM 298 CA THR A 22 69.701 -13.098 2.704 1.00 1.00 C ATOM 299 C THR A 22 68.442 -13.957 2.634 1.00 1.00 C ATOM 300 O THR A 22 68.480 -15.093 2.162 1.00 1.00 O ATOM 301 CB THR A 22 70.850 -13.923 3.289 1.00 1.00 C ATOM 302 OG1 THR A 22 70.421 -14.546 4.491 1.00 1.00 O ATOM 303 CG2 THR A 22 72.039 -13.006 3.584 1.00 1.00 C ATOM 0 H THR A 22 68.883 -12.073 4.343 1.00 1.00 H new ATOM 0 HA THR A 22 69.962 -12.773 1.697 1.00 1.00 H new ATOM 0 HB THR A 22 71.151 -14.687 2.572 1.00 1.00 H new ATOM 0 HG1 THR A 22 69.683 -14.032 4.881 1.00 1.00 H new ATOM 0 HG21 THR A 22 72.857 -13.594 4.001 1.00 1.00 H new ATOM 0 HG22 THR A 22 72.368 -12.529 2.661 1.00 1.00 H new ATOM 0 HG23 THR A 22 71.740 -12.241 4.301 1.00 1.00 H new ATOM 311 N ASP A 23 67.329 -13.405 3.106 1.00 1.00 N ATOM 312 CA ASP A 23 66.063 -14.129 3.091 1.00 1.00 C ATOM 313 C ASP A 23 64.900 -13.170 2.861 1.00 1.00 C ATOM 314 O ASP A 23 63.744 -13.510 3.113 1.00 1.00 O ATOM 315 CB ASP A 23 65.866 -14.864 4.419 1.00 1.00 C ATOM 316 CG ASP A 23 65.841 -16.371 4.182 1.00 1.00 C ATOM 317 OD1 ASP A 23 65.122 -16.798 3.293 1.00 1.00 O ATOM 318 OD2 ASP A 23 66.540 -17.074 4.892 1.00 1.00 O ATOM 0 H ASP A 23 67.277 -12.466 3.501 1.00 1.00 H new ATOM 0 HA ASP A 23 66.089 -14.852 2.276 1.00 1.00 H new ATOM 0 HB2 ASP A 23 66.671 -14.609 5.108 1.00 1.00 H new ATOM 0 HB3 ASP A 23 64.934 -14.545 4.886 1.00 1.00 H new ATOM 323 N TRP A 24 65.214 -11.971 2.383 1.00 1.00 N ATOM 324 CA TRP A 24 64.186 -10.970 2.122 1.00 1.00 C ATOM 325 C TRP A 24 63.772 -10.997 0.655 1.00 1.00 C ATOM 326 O TRP A 24 62.843 -10.297 0.249 1.00 1.00 O ATOM 327 CB TRP A 24 64.710 -9.578 2.481 1.00 1.00 C ATOM 328 CG TRP A 24 65.916 -9.271 1.653 1.00 1.00 C ATOM 329 CD1 TRP A 24 67.151 -9.781 1.858 1.00 1.00 C ATOM 330 CD2 TRP A 24 66.024 -8.394 0.493 1.00 1.00 C ATOM 331 NE1 TRP A 24 68.011 -9.274 0.900 1.00 1.00 N ATOM 332 CE2 TRP A 24 67.363 -8.415 0.036 1.00 1.00 C ATOM 333 CE3 TRP A 24 65.099 -7.591 -0.199 1.00 1.00 C ATOM 334 CZ2 TRP A 24 67.769 -7.665 -1.069 1.00 1.00 C ATOM 335 CZ3 TRP A 24 65.505 -6.835 -1.310 1.00 1.00 C ATOM 336 CH2 TRP A 24 66.838 -6.873 -1.745 1.00 1.00 C ATOM 0 H TRP A 24 66.165 -11.670 2.170 1.00 1.00 H new ATOM 0 HA TRP A 24 63.316 -11.201 2.737 1.00 1.00 H new ATOM 0 HB2 TRP A 24 63.936 -8.830 2.307 1.00 1.00 H new ATOM 0 HB3 TRP A 24 64.962 -9.535 3.540 1.00 1.00 H new ATOM 0 HD1 TRP A 24 67.422 -10.472 2.642 1.00 1.00 H new ATOM 0 HE1 TRP A 24 69.002 -9.507 0.840 1.00 1.00 H new ATOM 0 HE3 TRP A 24 64.070 -7.556 0.127 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 68.797 -7.697 -1.399 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.787 -6.221 -1.833 1.00 1.00 H new ATOM 0 HH2 TRP A 24 67.144 -6.291 -2.601 1.00 1.00 H new ATOM 347 N LYS A 25 64.466 -11.807 -0.137 1.00 1.00 N ATOM 348 CA LYS A 25 64.161 -11.916 -1.559 1.00 1.00 C ATOM 349 C LYS A 25 63.348 -13.177 -1.838 1.00 1.00 C ATOM 350 O LYS A 25 63.102 -13.526 -2.992 1.00 1.00 O ATOM 351 CB LYS A 25 65.457 -11.951 -2.375 1.00 1.00 C ATOM 352 CG LYS A 25 66.545 -12.692 -1.593 1.00 1.00 C ATOM 353 CD LYS A 25 66.053 -14.095 -1.230 1.00 1.00 C ATOM 354 CE LYS A 25 67.245 -14.964 -0.825 1.00 1.00 C ATOM 355 NZ LYS A 25 67.746 -15.705 -2.017 1.00 1.00 N ATOM 0 H LYS A 25 65.238 -12.394 0.178 1.00 1.00 H new ATOM 0 HA LYS A 25 63.574 -11.045 -1.851 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.282 -12.446 -3.330 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.785 -10.935 -2.598 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.455 -12.758 -2.190 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.797 -12.139 -0.688 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.335 -14.040 -0.412 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.535 -14.542 -2.079 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.038 -14.342 -0.410 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.949 -15.666 -0.045 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 68.556 -16.296 -1.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.988 -16.309 -2.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.043 -15.027 -2.747 1.00 1.00 H new ATOM 369 N SER A 26 62.932 -13.854 -0.772 1.00 1.00 N ATOM 370 CA SER A 26 62.146 -15.074 -0.914 1.00 1.00 C ATOM 371 C SER A 26 61.058 -15.137 0.153 1.00 1.00 C ATOM 372 O SER A 26 59.868 -15.055 -0.154 1.00 1.00 O ATOM 373 CB SER A 26 63.054 -16.297 -0.792 1.00 1.00 C ATOM 374 OG SER A 26 62.270 -17.478 -0.910 1.00 1.00 O ATOM 0 H SER A 26 63.124 -13.581 0.192 1.00 1.00 H new ATOM 0 HA SER A 26 61.675 -15.068 -1.897 1.00 1.00 H new ATOM 0 HB2 SER A 26 63.819 -16.275 -1.568 1.00 1.00 H new ATOM 0 HB3 SER A 26 63.573 -16.285 0.167 1.00 1.00 H new ATOM 0 HG SER A 26 62.850 -18.264 -0.834 1.00 1.00 H new ATOM 380 N SER A 27 61.473 -15.283 1.406 1.00 1.00 N ATOM 381 CA SER A 27 60.525 -15.356 2.511 1.00 1.00 C ATOM 382 C SER A 27 59.991 -13.968 2.853 1.00 1.00 C ATOM 383 O SER A 27 60.032 -13.544 4.008 1.00 1.00 O ATOM 384 CB SER A 27 61.202 -15.961 3.741 1.00 1.00 C ATOM 385 OG SER A 27 61.941 -14.950 4.414 1.00 1.00 O ATOM 0 H SER A 27 62.453 -15.353 1.681 1.00 1.00 H new ATOM 0 HA SER A 27 59.691 -15.989 2.207 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.454 -16.387 4.410 1.00 1.00 H new ATOM 0 HB3 SER A 27 61.864 -16.774 3.443 1.00 1.00 H new ATOM 0 HG SER A 27 61.322 -14.328 4.850 1.00 1.00 H new ATOM 391 N GLY A 28 59.493 -13.266 1.841 1.00 1.00 N ATOM 392 CA GLY A 28 58.954 -11.927 2.045 1.00 1.00 C ATOM 393 C GLY A 28 58.008 -11.542 0.913 1.00 1.00 C ATOM 394 O GLY A 28 57.807 -10.360 0.635 1.00 1.00 O ATOM 0 H GLY A 28 59.451 -13.599 0.878 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.424 -11.885 2.997 1.00 1.00 H new ATOM 0 HA3 GLY A 28 59.770 -11.207 2.103 1.00 1.00 H new ATOM 398 N ALA A 29 57.431 -12.547 0.264 1.00 1.00 N ATOM 399 CA ALA A 29 56.507 -12.301 -0.838 1.00 1.00 C ATOM 400 C ALA A 29 55.375 -13.324 -0.828 1.00 1.00 C ATOM 401 O ALA A 29 54.431 -13.225 -1.612 1.00 1.00 O ATOM 402 CB ALA A 29 57.253 -12.375 -2.171 1.00 1.00 C ATOM 0 H ALA A 29 57.584 -13.532 0.479 1.00 1.00 H new ATOM 0 HA ALA A 29 56.081 -11.305 -0.715 1.00 1.00 H new ATOM 0 HB1 ALA A 29 56.556 -12.190 -2.989 1.00 1.00 H new ATOM 0 HB2 ALA A 29 58.041 -11.622 -2.189 1.00 1.00 H new ATOM 0 HB3 ALA A 29 57.694 -13.365 -2.287 1.00 1.00 H new ATOM 408 N LEU A 30 55.479 -14.304 0.066 1.00 1.00 N ATOM 409 CA LEU A 30 54.459 -15.343 0.174 1.00 1.00 C ATOM 410 C LEU A 30 53.652 -15.161 1.456 1.00 1.00 C ATOM 411 O LEU A 30 52.476 -15.517 1.517 1.00 1.00 O ATOM 412 CB LEU A 30 55.106 -16.736 0.177 1.00 1.00 C ATOM 413 CG LEU A 30 56.078 -16.888 -1.007 1.00 1.00 C ATOM 414 CD1 LEU A 30 55.377 -16.490 -2.308 1.00 1.00 C ATOM 415 CD2 LEU A 30 57.316 -15.998 -0.809 1.00 1.00 C ATOM 0 H LEU A 30 56.254 -14.400 0.722 1.00 1.00 H new ATOM 0 HA LEU A 30 53.796 -15.258 -0.687 1.00 1.00 H new ATOM 0 HB2 LEU A 30 55.640 -16.892 1.114 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.332 -17.502 0.119 1.00 1.00 H new ATOM 0 HG LEU A 30 56.394 -17.930 -1.060 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.069 -16.599 -3.143 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.512 -17.134 -2.467 1.00 1.00 H new ATOM 0 HD13 LEU A 30 55.049 -15.452 -2.242 1.00 1.00 H new ATOM 0 HD21 LEU A 30 57.991 -16.120 -1.656 1.00 1.00 H new ATOM 0 HD22 LEU A 30 57.007 -14.955 -0.738 1.00 1.00 H new ATOM 0 HD23 LEU A 30 57.829 -16.287 0.108 1.00 1.00 H new ATOM 427 N ILE A 31 54.295 -14.607 2.479 1.00 1.00 N ATOM 428 CA ILE A 31 53.629 -14.383 3.757 1.00 1.00 C ATOM 429 C ILE A 31 52.998 -12.988 3.816 1.00 1.00 C ATOM 430 O ILE A 31 51.913 -12.823 4.370 1.00 1.00 O ATOM 431 CB ILE A 31 54.630 -14.587 4.909 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.449 -15.995 5.484 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.400 -13.560 6.027 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.576 -17.030 4.364 1.00 1.00 C ATOM 0 H ILE A 31 55.269 -14.307 2.449 1.00 1.00 H new ATOM 0 HA ILE A 31 52.822 -15.108 3.861 1.00 1.00 H new ATOM 0 HB ILE A 31 55.639 -14.457 4.518 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.198 -16.183 6.253 1.00 1.00 H new ATOM 0 HG13 ILE A 31 53.473 -16.080 5.962 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.120 -13.727 6.828 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.527 -12.554 5.628 1.00 1.00 H new ATOM 0 HG23 ILE A 31 53.389 -13.670 6.420 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.447 -18.030 4.777 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.810 -16.847 3.610 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.562 -16.951 3.906 1.00 1.00 H new ATOM 446 N PRO A 32 53.641 -11.983 3.267 1.00 1.00 N ATOM 447 CA PRO A 32 53.107 -10.599 3.274 1.00 1.00 C ATOM 448 C PRO A 32 52.209 -10.321 2.071 1.00 1.00 C ATOM 449 O PRO A 32 51.862 -9.172 1.795 1.00 1.00 O ATOM 450 CB PRO A 32 54.370 -9.745 3.224 1.00 1.00 C ATOM 451 CG PRO A 32 55.386 -10.572 2.494 1.00 1.00 C ATOM 452 CD PRO A 32 54.942 -12.040 2.583 1.00 1.00 C ATOM 0 HA PRO A 32 52.477 -10.398 4.141 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.186 -8.803 2.707 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.715 -9.496 4.228 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.460 -10.257 1.453 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.374 -10.443 2.937 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.853 -12.490 1.594 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.660 -12.640 3.142 1.00 1.00 H new ATOM 460 N ALA A 33 51.837 -11.378 1.358 1.00 1.00 N ATOM 461 CA ALA A 33 50.982 -11.232 0.186 1.00 1.00 C ATOM 462 C ALA A 33 49.520 -11.455 0.557 1.00 1.00 C ATOM 463 O ALA A 33 48.627 -11.285 -0.273 1.00 1.00 O ATOM 464 CB ALA A 33 51.393 -12.236 -0.891 1.00 1.00 C ATOM 0 H ALA A 33 52.111 -12.338 1.568 1.00 1.00 H new ATOM 0 HA ALA A 33 51.098 -10.219 -0.198 1.00 1.00 H new ATOM 0 HB1 ALA A 33 50.749 -12.119 -1.762 1.00 1.00 H new ATOM 0 HB2 ALA A 33 52.429 -12.057 -1.179 1.00 1.00 H new ATOM 0 HB3 ALA A 33 51.295 -13.249 -0.501 1.00 1.00 H new ATOM 470 N ILE A 34 49.285 -11.837 1.809 1.00 1.00 N ATOM 471 CA ILE A 34 47.927 -12.080 2.284 1.00 1.00 C ATOM 472 C ILE A 34 47.701 -11.392 3.625 1.00 1.00 C ATOM 473 O ILE A 34 46.689 -10.723 3.826 1.00 1.00 O ATOM 474 CB ILE A 34 47.668 -13.585 2.429 1.00 1.00 C ATOM 475 CG1 ILE A 34 48.806 -14.380 1.775 1.00 1.00 C ATOM 476 CG2 ILE A 34 46.349 -13.939 1.740 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.082 -14.254 2.613 1.00 1.00 C ATOM 0 H ILE A 34 50.012 -11.984 2.509 1.00 1.00 H new ATOM 0 HA ILE A 34 47.233 -11.669 1.550 1.00 1.00 H new ATOM 0 HB ILE A 34 47.616 -13.838 3.488 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.523 -15.429 1.684 1.00 1.00 H new ATOM 0 HG13 ILE A 34 48.986 -14.010 0.766 1.00 1.00 H new ATOM 0 HG21 ILE A 34 46.161 -15.008 1.841 1.00 1.00 H new ATOM 0 HG22 ILE A 34 45.535 -13.382 2.204 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.409 -13.679 0.683 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.884 -14.821 2.141 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.371 -13.205 2.681 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.900 -14.646 3.614 1.00 1.00 H new ATOM 489 N TYR A 35 48.652 -11.557 4.539 1.00 1.00 N ATOM 490 CA TYR A 35 48.545 -10.941 5.857 1.00 1.00 C ATOM 491 C TYR A 35 48.332 -9.438 5.728 1.00 1.00 C ATOM 492 O TYR A 35 47.395 -8.883 6.300 1.00 1.00 O ATOM 493 CB TYR A 35 49.814 -11.211 6.666 1.00 1.00 C ATOM 494 CG TYR A 35 49.525 -12.245 7.728 1.00 1.00 C ATOM 495 CD1 TYR A 35 48.778 -11.896 8.859 1.00 1.00 C ATOM 496 CD2 TYR A 35 50.005 -13.551 7.582 1.00 1.00 C ATOM 497 CE1 TYR A 35 48.509 -12.854 9.844 1.00 1.00 C ATOM 498 CE2 TYR A 35 49.736 -14.510 8.567 1.00 1.00 C ATOM 499 CZ TYR A 35 48.989 -14.161 9.698 1.00 1.00 C ATOM 500 OH TYR A 35 48.724 -15.106 10.668 1.00 1.00 O ATOM 0 H TYR A 35 49.499 -12.107 4.394 1.00 1.00 H new ATOM 0 HA TYR A 35 47.688 -11.376 6.372 1.00 1.00 H new ATOM 0 HB2 TYR A 35 50.609 -11.562 6.008 1.00 1.00 H new ATOM 0 HB3 TYR A 35 50.166 -10.289 7.128 1.00 1.00 H new ATOM 0 HD1 TYR A 35 48.409 -10.887 8.972 1.00 1.00 H new ATOM 0 HD2 TYR A 35 50.583 -13.820 6.710 1.00 1.00 H new ATOM 0 HE1 TYR A 35 47.931 -12.585 10.716 1.00 1.00 H new ATOM 0 HE2 TYR A 35 50.105 -15.519 8.454 1.00 1.00 H new ATOM 0 HH TYR A 35 49.128 -15.961 10.411 1.00 1.00 H new ATOM 510 N MET A 36 49.208 -8.783 4.971 1.00 1.00 N ATOM 511 CA MET A 36 49.105 -7.343 4.774 1.00 1.00 C ATOM 512 C MET A 36 47.651 -6.930 4.571 1.00 1.00 C ATOM 513 O MET A 36 47.137 -6.068 5.283 1.00 1.00 O ATOM 514 CB MET A 36 49.928 -6.922 3.557 1.00 1.00 C ATOM 515 CG MET A 36 51.397 -7.292 3.775 1.00 1.00 C ATOM 516 SD MET A 36 52.072 -6.310 5.138 1.00 1.00 S ATOM 517 CE MET A 36 53.583 -7.274 5.387 1.00 1.00 C ATOM 0 H MET A 36 49.991 -9.224 4.488 1.00 1.00 H new ATOM 0 HA MET A 36 49.491 -6.847 5.665 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.548 -7.414 2.661 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.833 -5.848 3.396 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.486 -8.355 4.000 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.968 -7.110 2.864 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.129 -6.880 6.244 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.323 -8.317 5.570 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.208 -7.207 4.497 1.00 1.00 H new ATOM 527 N LEU A 37 46.992 -7.552 3.599 1.00 1.00 N ATOM 528 CA LEU A 37 45.598 -7.237 3.318 1.00 1.00 C ATOM 529 C LEU A 37 44.815 -7.156 4.624 1.00 1.00 C ATOM 530 O LEU A 37 43.950 -6.297 4.790 1.00 1.00 O ATOM 531 CB LEU A 37 45.013 -8.304 2.368 1.00 1.00 C ATOM 532 CG LEU A 37 43.588 -8.723 2.771 1.00 1.00 C ATOM 533 CD1 LEU A 37 42.651 -7.509 2.781 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.067 -9.738 1.751 1.00 1.00 C ATOM 0 H LEU A 37 47.397 -8.270 2.998 1.00 1.00 H new ATOM 0 HA LEU A 37 45.525 -6.267 2.825 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.001 -7.914 1.350 1.00 1.00 H new ATOM 0 HB3 LEU A 37 45.661 -9.181 2.366 1.00 1.00 H new ATOM 0 HG LEU A 37 43.616 -9.157 3.770 1.00 1.00 H new ATOM 0 HD11 LEU A 37 41.648 -7.826 3.068 1.00 1.00 H new ATOM 0 HD12 LEU A 37 43.018 -6.772 3.496 1.00 1.00 H new ATOM 0 HD13 LEU A 37 42.620 -7.065 1.786 1.00 1.00 H new ATOM 0 HD21 LEU A 37 42.057 -10.044 2.025 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.052 -9.284 0.760 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.720 -10.611 1.740 1.00 1.00 H new ATOM 546 N VAL A 38 45.137 -8.049 5.555 1.00 1.00 N ATOM 547 CA VAL A 38 44.466 -8.066 6.849 1.00 1.00 C ATOM 548 C VAL A 38 45.104 -7.049 7.791 1.00 1.00 C ATOM 549 O VAL A 38 44.415 -6.397 8.576 1.00 1.00 O ATOM 550 CB VAL A 38 44.555 -9.459 7.476 1.00 1.00 C ATOM 551 CG1 VAL A 38 43.368 -9.671 8.417 1.00 1.00 C ATOM 552 CG2 VAL A 38 44.524 -10.521 6.375 1.00 1.00 C ATOM 0 H VAL A 38 45.854 -8.765 5.438 1.00 1.00 H new ATOM 0 HA VAL A 38 43.419 -7.806 6.693 1.00 1.00 H new ATOM 0 HB VAL A 38 45.486 -9.544 8.036 1.00 1.00 H new ATOM 0 HG11 VAL A 38 43.431 -10.663 8.864 1.00 1.00 H new ATOM 0 HG12 VAL A 38 43.388 -8.917 9.204 1.00 1.00 H new ATOM 0 HG13 VAL A 38 42.438 -9.584 7.855 1.00 1.00 H new ATOM 0 HG21 VAL A 38 44.588 -11.512 6.824 1.00 1.00 H new ATOM 0 HG22 VAL A 38 43.594 -10.436 5.813 1.00 1.00 H new ATOM 0 HG23 VAL A 38 45.369 -10.372 5.702 1.00 1.00 H new ATOM 562 N PHE A 39 46.423 -6.922 7.706 1.00 1.00 N ATOM 563 CA PHE A 39 47.146 -5.984 8.556 1.00 1.00 C ATOM 564 C PHE A 39 46.926 -4.550 8.085 1.00 1.00 C ATOM 565 O PHE A 39 47.699 -3.653 8.422 1.00 1.00 O ATOM 566 CB PHE A 39 48.642 -6.306 8.535 1.00 1.00 C ATOM 567 CG PHE A 39 49.125 -6.554 9.943 1.00 1.00 C ATOM 568 CD1 PHE A 39 48.731 -7.712 10.624 1.00 1.00 C ATOM 569 CD2 PHE A 39 49.966 -5.626 10.571 1.00 1.00 C ATOM 570 CE1 PHE A 39 49.178 -7.944 11.930 1.00 1.00 C ATOM 571 CE2 PHE A 39 50.413 -5.858 11.877 1.00 1.00 C ATOM 572 CZ PHE A 39 50.019 -7.017 12.557 1.00 1.00 C ATOM 0 H PHE A 39 47.010 -7.452 7.062 1.00 1.00 H new ATOM 0 HA PHE A 39 46.767 -6.081 9.573 1.00 1.00 H new ATOM 0 HB2 PHE A 39 48.827 -7.184 7.916 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.196 -5.480 8.090 1.00 1.00 H new ATOM 0 HD1 PHE A 39 48.081 -8.427 10.141 1.00 1.00 H new ATOM 0 HD2 PHE A 39 50.269 -4.732 10.047 1.00 1.00 H new ATOM 0 HE1 PHE A 39 48.874 -8.838 12.454 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.062 -5.143 12.360 1.00 1.00 H new ATOM 0 HZ PHE A 39 50.364 -7.196 13.565 1.00 1.00 H new ATOM 582 N LEU A 40 45.868 -4.343 7.302 1.00 1.00 N ATOM 583 CA LEU A 40 45.554 -3.012 6.787 1.00 1.00 C ATOM 584 C LEU A 40 44.098 -2.652 7.080 1.00 1.00 C ATOM 585 O LEU A 40 43.442 -1.977 6.287 1.00 1.00 O ATOM 586 CB LEU A 40 45.807 -2.964 5.277 1.00 1.00 C ATOM 587 CG LEU A 40 47.306 -2.798 5.014 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.656 -3.399 3.651 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.665 -1.309 5.018 1.00 1.00 C ATOM 0 H LEU A 40 45.218 -5.074 7.012 1.00 1.00 H new ATOM 0 HA LEU A 40 46.199 -2.287 7.284 1.00 1.00 H new ATOM 0 HB2 LEU A 40 45.444 -3.878 4.808 1.00 1.00 H new ATOM 0 HB3 LEU A 40 45.255 -2.136 4.831 1.00 1.00 H new ATOM 0 HG LEU A 40 47.868 -3.311 5.794 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.723 -3.280 3.464 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.402 -4.459 3.645 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.092 -2.886 2.872 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.732 -1.192 4.831 1.00 1.00 H new ATOM 0 HD22 LEU A 40 47.101 -0.797 4.238 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.417 -0.878 5.988 1.00 1.00 H new ATOM 601 N LEU A 41 43.601 -3.103 8.227 1.00 1.00 N ATOM 602 CA LEU A 41 42.223 -2.819 8.617 1.00 1.00 C ATOM 603 C LEU A 41 41.948 -3.320 10.031 1.00 1.00 C ATOM 604 O LEU A 41 41.311 -2.632 10.830 1.00 1.00 O ATOM 605 CB LEU A 41 41.246 -3.474 7.637 1.00 1.00 C ATOM 606 CG LEU A 41 41.509 -4.980 7.556 1.00 1.00 C ATOM 607 CD1 LEU A 41 40.459 -5.729 8.378 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.425 -5.429 6.095 1.00 1.00 C ATOM 0 H LEU A 41 44.126 -3.663 8.899 1.00 1.00 H new ATOM 0 HA LEU A 41 42.081 -1.739 8.594 1.00 1.00 H new ATOM 0 HB2 LEU A 41 40.220 -3.293 7.959 1.00 1.00 H new ATOM 0 HB3 LEU A 41 41.354 -3.025 6.650 1.00 1.00 H new ATOM 0 HG LEU A 41 42.501 -5.198 7.952 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.648 -6.801 8.319 1.00 1.00 H new ATOM 0 HD12 LEU A 41 40.514 -5.407 9.418 1.00 1.00 H new ATOM 0 HD13 LEU A 41 39.466 -5.513 7.983 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.612 -6.501 6.033 1.00 1.00 H new ATOM 0 HD22 LEU A 41 40.431 -5.210 5.704 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.172 -4.896 5.507 1.00 1.00 H new ATOM 620 N GLY A 42 42.435 -4.519 10.338 1.00 1.00 N ATOM 621 CA GLY A 42 42.236 -5.093 11.663 1.00 1.00 C ATOM 622 C GLY A 42 43.288 -4.573 12.633 1.00 1.00 C ATOM 623 O GLY A 42 43.475 -5.122 13.719 1.00 1.00 O ATOM 0 H GLY A 42 42.965 -5.106 9.694 1.00 1.00 H new ATOM 0 HA2 GLY A 42 41.240 -4.842 12.029 1.00 1.00 H new ATOM 0 HA3 GLY A 42 42.290 -6.180 11.607 1.00 1.00 H new ATOM 627 N THR A 43 43.976 -3.512 12.228 1.00 1.00 N ATOM 628 CA THR A 43 45.014 -2.918 13.061 1.00 1.00 C ATOM 629 C THR A 43 45.255 -1.467 12.657 1.00 1.00 C ATOM 630 O THR A 43 44.680 -0.547 13.238 1.00 1.00 O ATOM 631 CB THR A 43 46.313 -3.712 12.912 1.00 1.00 C ATOM 632 OG1 THR A 43 47.421 -2.834 13.060 1.00 1.00 O ATOM 633 CG2 THR A 43 46.356 -4.364 11.528 1.00 1.00 C ATOM 0 H THR A 43 43.835 -3.047 11.331 1.00 1.00 H new ATOM 0 HA THR A 43 44.686 -2.945 14.100 1.00 1.00 H new ATOM 0 HB THR A 43 46.358 -4.486 13.678 1.00 1.00 H new ATOM 0 HG1 THR A 43 48.044 -2.965 12.315 1.00 1.00 H new ATOM 0 HG21 THR A 43 47.281 -4.930 11.421 1.00 1.00 H new ATOM 0 HG22 THR A 43 45.505 -5.036 11.416 1.00 1.00 H new ATOM 0 HG23 THR A 43 46.312 -3.591 10.760 1.00 1.00 H new ATOM 641 N THR A 44 46.105 -1.273 11.653 1.00 1.00 N ATOM 642 CA THR A 44 46.414 0.068 11.173 1.00 1.00 C ATOM 643 C THR A 44 46.570 1.034 12.344 1.00 1.00 C ATOM 644 O THR A 44 46.421 2.245 12.186 1.00 1.00 O ATOM 645 CB THR A 44 45.300 0.560 10.247 1.00 1.00 C ATOM 646 OG1 THR A 44 44.438 1.431 10.967 1.00 1.00 O ATOM 647 CG2 THR A 44 44.501 -0.637 9.726 1.00 1.00 C ATOM 0 H THR A 44 46.589 -2.023 11.159 1.00 1.00 H new ATOM 0 HA THR A 44 47.354 0.029 10.622 1.00 1.00 H new ATOM 0 HB THR A 44 45.737 1.096 9.405 1.00 1.00 H new ATOM 0 HG1 THR A 44 44.915 2.259 11.182 1.00 1.00 H new ATOM 0 HG21 THR A 44 43.708 -0.286 9.066 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.163 -1.304 9.174 1.00 1.00 H new ATOM 0 HG23 THR A 44 44.062 -1.175 10.566 1.00 1.00 H new ATOM 655 N GLY A 45 46.872 0.488 13.518 1.00 1.00 N ATOM 656 CA GLY A 45 47.046 1.308 14.710 1.00 1.00 C ATOM 657 C GLY A 45 46.351 0.678 15.911 1.00 1.00 C ATOM 658 O GLY A 45 47.000 0.274 16.875 1.00 1.00 O ATOM 0 H GLY A 45 47.000 -0.513 13.668 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.109 1.428 14.922 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.642 2.305 14.533 1.00 1.00 H new ATOM 662 N ASN A 46 45.026 0.597 15.845 1.00 1.00 N ATOM 663 CA ASN A 46 44.251 0.013 16.934 1.00 1.00 C ATOM 664 C ASN A 46 44.878 -1.300 17.394 1.00 1.00 C ATOM 665 O ASN A 46 44.684 -1.724 18.533 1.00 1.00 O ATOM 666 CB ASN A 46 42.814 -0.240 16.475 1.00 1.00 C ATOM 667 CG ASN A 46 42.104 1.087 16.227 1.00 1.00 C ATOM 668 OD1 ASN A 46 41.454 1.620 17.125 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.191 1.654 15.055 1.00 1.00 N ATOM 0 H ASN A 46 44.470 0.926 15.056 1.00 1.00 H new ATOM 0 HA ASN A 46 44.248 0.714 17.769 1.00 1.00 H new ATOM 0 HB2 ASN A 46 42.815 -0.837 15.563 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.278 -0.813 17.231 1.00 1.00 H new ATOM 0 HD21 ASN A 46 41.719 2.542 14.882 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.731 1.210 14.312 1.00 1.00 H new ATOM 676 N GLY A 47 45.627 -1.938 16.502 1.00 1.00 N ATOM 677 CA GLY A 47 46.276 -3.202 16.830 1.00 1.00 C ATOM 678 C GLY A 47 47.646 -2.969 17.457 1.00 1.00 C ATOM 679 O GLY A 47 48.129 -3.788 18.239 1.00 1.00 O ATOM 0 H GLY A 47 45.799 -1.604 15.554 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.649 -3.768 17.519 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.383 -3.804 15.928 1.00 1.00 H new ATOM 683 N LEU A 48 48.270 -1.848 17.108 1.00 1.00 N ATOM 684 CA LEU A 48 49.586 -1.519 17.643 1.00 1.00 C ATOM 685 C LEU A 48 49.467 -0.504 18.775 1.00 1.00 C ATOM 686 O LEU A 48 50.458 0.096 19.189 1.00 1.00 O ATOM 687 CB LEU A 48 50.480 -0.949 16.538 1.00 1.00 C ATOM 688 CG LEU A 48 49.885 -1.272 15.165 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.825 -0.763 14.071 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.715 -2.787 15.022 1.00 1.00 C ATOM 0 H LEU A 48 47.889 -1.157 16.462 1.00 1.00 H new ATOM 0 HA LEU A 48 50.033 -2.434 18.033 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.576 0.130 16.657 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.483 -1.369 16.617 1.00 1.00 H new ATOM 0 HG LEU A 48 48.914 -0.787 15.069 1.00 1.00 H new ATOM 0 HD11 LEU A 48 50.403 -0.992 13.093 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.948 0.316 14.170 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.796 -1.249 14.170 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.291 -3.015 14.044 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.686 -3.273 15.119 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.047 -3.153 15.801 1.00 1.00 H new ATOM 702 N VAL A 49 48.247 -0.315 19.269 1.00 1.00 N ATOM 703 CA VAL A 49 48.012 0.632 20.352 1.00 1.00 C ATOM 704 C VAL A 49 47.862 -0.100 21.682 1.00 1.00 C ATOM 705 O VAL A 49 48.649 0.106 22.606 1.00 1.00 O ATOM 706 CB VAL A 49 46.747 1.444 20.068 1.00 1.00 C ATOM 707 CG1 VAL A 49 46.482 2.400 21.232 1.00 1.00 C ATOM 708 CG2 VAL A 49 46.941 2.250 18.782 1.00 1.00 C ATOM 0 H VAL A 49 47.413 -0.801 18.940 1.00 1.00 H new ATOM 0 HA VAL A 49 48.869 1.303 20.416 1.00 1.00 H new ATOM 0 HB VAL A 49 45.899 0.769 19.953 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.581 2.979 21.030 1.00 1.00 H new ATOM 0 HG12 VAL A 49 46.347 1.827 22.150 1.00 1.00 H new ATOM 0 HG13 VAL A 49 47.329 3.076 21.347 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.041 2.830 18.577 1.00 1.00 H new ATOM 0 HG22 VAL A 49 47.789 2.925 18.900 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.132 1.570 17.952 1.00 1.00 H new ATOM 718 N LEU A 50 46.849 -0.956 21.772 1.00 1.00 N ATOM 719 CA LEU A 50 46.607 -1.713 22.995 1.00 1.00 C ATOM 720 C LEU A 50 47.680 -2.780 23.183 1.00 1.00 C ATOM 721 O LEU A 50 47.663 -3.526 24.162 1.00 1.00 O ATOM 722 CB LEU A 50 45.229 -2.374 22.939 1.00 1.00 C ATOM 723 CG LEU A 50 45.160 -3.311 21.733 1.00 1.00 C ATOM 724 CD1 LEU A 50 45.278 -4.761 22.205 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.823 -3.119 21.014 1.00 1.00 C ATOM 0 H LEU A 50 46.187 -1.142 21.019 1.00 1.00 H new ATOM 0 HA LEU A 50 46.642 -1.025 23.839 1.00 1.00 H new ATOM 0 HB2 LEU A 50 45.044 -2.932 23.857 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.452 -1.613 22.866 1.00 1.00 H new ATOM 0 HG LEU A 50 45.978 -3.083 21.050 1.00 1.00 H new ATOM 0 HD11 LEU A 50 45.229 -5.429 21.345 1.00 1.00 H new ATOM 0 HD12 LEU A 50 46.229 -4.900 22.718 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.460 -4.989 22.889 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.773 -3.787 20.154 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.006 -3.347 21.698 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.736 -2.086 20.677 1.00 1.00 H new ATOM 737 N TRP A 51 48.611 -2.848 22.237 1.00 1.00 N ATOM 738 CA TRP A 51 49.688 -3.830 22.309 1.00 1.00 C ATOM 739 C TRP A 51 50.787 -3.351 23.251 1.00 1.00 C ATOM 740 O TRP A 51 51.788 -4.040 23.452 1.00 1.00 O ATOM 741 CB TRP A 51 50.275 -4.065 20.916 1.00 1.00 C ATOM 742 CG TRP A 51 50.318 -5.531 20.634 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.239 -6.347 20.591 1.00 1.00 C ATOM 744 CD2 TRP A 51 51.477 -6.371 20.357 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.662 -7.633 20.305 1.00 1.00 N ATOM 746 CE2 TRP A 51 51.032 -7.699 20.152 1.00 1.00 C ATOM 747 CE3 TRP A 51 52.856 -6.111 20.262 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.925 -8.732 19.865 1.00 1.00 C ATOM 749 CZ3 TRP A 51 53.757 -7.150 19.974 1.00 1.00 C ATOM 750 CH2 TRP A 51 53.292 -8.457 19.776 1.00 1.00 C ATOM 0 H TRP A 51 48.642 -2.241 21.418 1.00 1.00 H new ATOM 0 HA TRP A 51 49.277 -4.764 22.692 1.00 1.00 H new ATOM 0 HB2 TRP A 51 49.670 -3.557 20.165 1.00 1.00 H new ATOM 0 HB3 TRP A 51 51.278 -3.643 20.857 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.215 -6.044 20.753 1.00 1.00 H new ATOM 0 HE1 TRP A 51 49.037 -8.435 20.218 1.00 1.00 H new ATOM 0 HE3 TRP A 51 53.224 -5.107 20.411 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 51.562 -9.738 19.713 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 54.814 -6.940 19.905 1.00 1.00 H new ATOM 0 HH2 TRP A 51 53.990 -9.251 19.555 1.00 1.00 H new ATOM 761 N THR A 52 50.590 -2.166 23.826 1.00 1.00 N ATOM 762 CA THR A 52 51.568 -1.597 24.749 1.00 1.00 C ATOM 763 C THR A 52 50.988 -1.510 26.157 1.00 1.00 C ATOM 764 O THR A 52 51.384 -0.653 26.949 1.00 1.00 O ATOM 765 CB THR A 52 51.976 -0.199 24.278 1.00 1.00 C ATOM 766 OG1 THR A 52 53.167 0.194 24.944 1.00 1.00 O ATOM 767 CG2 THR A 52 50.859 0.796 24.597 1.00 1.00 C ATOM 0 H THR A 52 49.767 -1.585 23.670 1.00 1.00 H new ATOM 0 HA THR A 52 52.444 -2.246 24.768 1.00 1.00 H new ATOM 0 HB THR A 52 52.149 -0.214 23.202 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.431 1.088 24.642 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.151 1.791 24.261 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.945 0.494 24.085 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.683 0.813 25.673 1.00 1.00 H new ATOM 775 N VAL A 53 50.050 -2.402 26.462 1.00 1.00 N ATOM 776 CA VAL A 53 49.421 -2.419 27.778 1.00 1.00 C ATOM 777 C VAL A 53 49.336 -3.844 28.314 1.00 1.00 C ATOM 778 O VAL A 53 49.607 -4.092 29.489 1.00 1.00 O ATOM 779 CB VAL A 53 48.017 -1.819 27.693 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.377 -1.816 29.082 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.107 -0.384 27.171 1.00 1.00 C ATOM 0 H VAL A 53 49.711 -3.118 25.820 1.00 1.00 H new ATOM 0 HA VAL A 53 50.030 -1.824 28.458 1.00 1.00 H new ATOM 0 HB VAL A 53 47.408 -2.416 27.014 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.376 -1.388 29.021 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.312 -2.838 29.455 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.986 -1.219 29.762 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.107 0.044 27.110 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.717 0.213 27.850 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.562 -0.385 26.181 1.00 1.00 H new ATOM 791 N PHE A 54 48.958 -4.776 27.445 1.00 1.00 N ATOM 792 CA PHE A 54 48.841 -6.176 27.841 1.00 1.00 C ATOM 793 C PHE A 54 50.024 -6.983 27.316 1.00 1.00 C ATOM 794 O PHE A 54 50.051 -8.208 27.431 1.00 1.00 O ATOM 795 CB PHE A 54 47.538 -6.764 27.296 1.00 1.00 C ATOM 796 CG PHE A 54 46.406 -6.447 28.244 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.676 -5.262 28.091 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.088 -7.337 29.277 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.628 -4.968 28.971 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.039 -7.043 30.155 1.00 1.00 C ATOM 801 CZ PHE A 54 44.309 -5.859 30.003 1.00 1.00 C ATOM 0 H PHE A 54 48.729 -4.590 26.469 1.00 1.00 H new ATOM 0 HA PHE A 54 48.836 -6.227 28.930 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.326 -6.353 26.309 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.635 -7.843 27.177 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.921 -4.575 27.294 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.652 -8.250 29.396 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.065 -4.054 28.854 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.793 -7.730 30.951 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.500 -5.632 30.681 1.00 1.00 H new ATOM 811 N ARG A 55 50.999 -6.288 26.738 1.00 1.00 N ATOM 812 CA ARG A 55 52.180 -6.952 26.199 1.00 1.00 C ATOM 813 C ARG A 55 53.365 -6.792 27.147 1.00 1.00 C ATOM 814 O ARG A 55 53.876 -7.774 27.686 1.00 1.00 O ATOM 815 CB ARG A 55 52.533 -6.359 24.834 1.00 1.00 C ATOM 816 CG ARG A 55 53.517 -7.283 24.114 1.00 1.00 C ATOM 817 CD ARG A 55 52.742 -8.285 23.256 1.00 1.00 C ATOM 818 NE ARG A 55 53.663 -9.203 22.597 1.00 1.00 N ATOM 819 CZ ARG A 55 53.249 -10.380 22.137 1.00 1.00 C ATOM 820 NH1 ARG A 55 52.000 -10.730 22.272 1.00 1.00 N ATOM 821 NH2 ARG A 55 54.093 -11.184 21.551 1.00 1.00 N ATOM 0 H ARG A 55 50.995 -5.274 26.631 1.00 1.00 H new ATOM 0 HA ARG A 55 51.959 -8.014 26.089 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.631 -6.235 24.236 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.972 -5.369 24.958 1.00 1.00 H new ATOM 0 HG2 ARG A 55 54.191 -6.698 23.489 1.00 1.00 H new ATOM 0 HG3 ARG A 55 54.134 -7.811 24.841 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.043 -8.844 23.879 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.150 -7.755 22.510 1.00 1.00 H new ATOM 0 HE ARG A 55 54.642 -8.938 22.487 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.341 -10.101 22.730 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.682 -11.633 21.919 1.00 1.00 H new ATOM 0 HH21 ARG A 55 55.070 -10.910 21.446 1.00 1.00 H new ATOM 0 HH22 ARG A 55 53.776 -12.087 21.198 1.00 1.00 H new ATOM 835 N LYS A 56 53.796 -5.551 27.345 1.00 1.00 N ATOM 836 CA LYS A 56 54.923 -5.276 28.229 1.00 1.00 C ATOM 837 C LYS A 56 54.771 -6.036 29.543 1.00 1.00 C ATOM 838 O LYS A 56 55.757 -6.472 30.137 1.00 1.00 O ATOM 839 CB LYS A 56 55.010 -3.776 28.512 1.00 1.00 C ATOM 840 CG LYS A 56 55.354 -3.031 27.221 1.00 1.00 C ATOM 841 CD LYS A 56 54.335 -1.915 26.988 1.00 1.00 C ATOM 842 CE LYS A 56 54.399 -0.915 28.144 1.00 1.00 C ATOM 843 NZ LYS A 56 54.633 0.455 27.603 1.00 1.00 N ATOM 0 H LYS A 56 53.386 -4.725 26.909 1.00 1.00 H new ATOM 0 HA LYS A 56 55.837 -5.606 27.735 1.00 1.00 H new ATOM 0 HB2 LYS A 56 54.062 -3.415 28.911 1.00 1.00 H new ATOM 0 HB3 LYS A 56 55.769 -3.582 29.270 1.00 1.00 H new ATOM 0 HG2 LYS A 56 56.358 -2.613 27.287 1.00 1.00 H new ATOM 0 HG3 LYS A 56 55.351 -3.722 26.378 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.542 -1.410 26.045 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.332 -2.334 26.911 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.469 -0.939 28.712 1.00 1.00 H new ATOM 0 HE3 LYS A 56 55.200 -1.188 28.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 54.238 1.159 28.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 55.655 0.616 27.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.169 0.546 26.677 1.00 1.00 H new ATOM 857 N LYS A 57 53.529 -6.190 29.992 1.00 1.00 N ATOM 858 CA LYS A 57 53.261 -6.898 31.238 1.00 1.00 C ATOM 859 C LYS A 57 53.703 -8.355 31.131 1.00 1.00 C ATOM 860 O LYS A 57 54.094 -8.969 32.123 1.00 1.00 O ATOM 861 CB LYS A 57 51.764 -6.843 31.562 1.00 1.00 C ATOM 862 CG LYS A 57 51.263 -5.394 31.489 1.00 1.00 C ATOM 863 CD LYS A 57 51.888 -4.554 32.611 1.00 1.00 C ATOM 864 CE LYS A 57 52.963 -3.635 32.025 1.00 1.00 C ATOM 865 NZ LYS A 57 53.795 -3.078 33.129 1.00 1.00 N ATOM 0 H LYS A 57 52.699 -5.837 29.516 1.00 1.00 H new ATOM 0 HA LYS A 57 53.824 -6.414 32.036 1.00 1.00 H new ATOM 0 HB2 LYS A 57 51.209 -7.464 30.859 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.584 -7.249 32.557 1.00 1.00 H new ATOM 0 HG2 LYS A 57 51.516 -4.964 30.520 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.176 -5.374 31.573 1.00 1.00 H new ATOM 0 HD2 LYS A 57 51.119 -3.961 33.107 1.00 1.00 H new ATOM 0 HD3 LYS A 57 52.325 -5.206 33.367 1.00 1.00 H new ATOM 0 HE2 LYS A 57 53.590 -4.190 31.327 1.00 1.00 H new ATOM 0 HE3 LYS A 57 52.498 -2.826 31.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 54.526 -2.453 32.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 53.191 -2.535 33.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 54.250 -3.856 33.648 1.00 1.00 H new ATOM 879 N GLY A 58 53.640 -8.900 29.920 1.00 1.00 N ATOM 880 CA GLY A 58 54.038 -10.285 29.696 1.00 1.00 C ATOM 881 C GLY A 58 53.977 -10.636 28.214 1.00 1.00 C ATOM 882 O GLY A 58 52.916 -10.976 27.690 1.00 1.00 O ATOM 0 H GLY A 58 53.320 -8.409 29.085 1.00 1.00 H new ATOM 0 HA2 GLY A 58 55.050 -10.442 30.069 1.00 1.00 H new ATOM 0 HA3 GLY A 58 53.384 -10.951 30.259 1.00 1.00 H new ATOM 886 N HIS A 59 55.122 -10.552 27.545 1.00 1.00 N ATOM 887 CA HIS A 59 55.188 -10.864 26.121 1.00 1.00 C ATOM 888 C HIS A 59 54.703 -12.287 25.862 1.00 1.00 C ATOM 889 O HIS A 59 54.574 -12.709 24.712 1.00 1.00 O ATOM 890 CB HIS A 59 56.625 -10.711 25.619 1.00 1.00 C ATOM 891 CG HIS A 59 56.689 -9.595 24.614 1.00 1.00 C ATOM 892 ND1 HIS A 59 56.563 -9.819 23.252 1.00 1.00 N ATOM 893 CD2 HIS A 59 56.866 -8.241 24.756 1.00 1.00 C ATOM 894 CE1 HIS A 59 56.665 -8.627 22.634 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.852 -7.633 23.505 1.00 1.00 N ATOM 0 H HIS A 59 56.010 -10.273 27.961 1.00 1.00 H new ATOM 0 HA HIS A 59 54.541 -10.169 25.585 1.00 1.00 H new ATOM 0 HB2 HIS A 59 57.293 -10.501 26.454 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.964 -11.643 25.166 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.996 -7.726 25.696 1.00 1.00 H new ATOM 0 HE1 HIS A 59 56.603 -8.492 21.564 1.00 1.00 H new ATOM 0 HE2 HIS A 59 56.961 -6.640 23.298 1.00 1.00 H new ATOM 903 N HIS A 60 54.437 -13.022 26.937 1.00 1.00 N ATOM 904 CA HIS A 60 53.968 -14.396 26.814 1.00 1.00 C ATOM 905 C HIS A 60 52.945 -14.713 27.899 1.00 1.00 C ATOM 906 O HIS A 60 51.826 -15.138 27.608 1.00 1.00 O ATOM 907 CB HIS A 60 55.148 -15.362 26.925 1.00 1.00 C ATOM 908 CG HIS A 60 55.792 -15.526 25.575 1.00 1.00 C ATOM 909 ND1 HIS A 60 55.385 -16.499 24.675 1.00 1.00 N ATOM 910 CD2 HIS A 60 56.813 -14.848 24.958 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.152 -16.381 23.577 1.00 1.00 C ATOM 912 NE2 HIS A 60 57.039 -15.390 23.696 1.00 1.00 N ATOM 0 H HIS A 60 54.538 -12.691 27.897 1.00 1.00 H new ATOM 0 HA HIS A 60 53.494 -14.512 25.839 1.00 1.00 H new ATOM 0 HB2 HIS A 60 55.875 -14.983 27.643 1.00 1.00 H new ATOM 0 HB3 HIS A 60 54.807 -16.328 27.297 1.00 1.00 H new ATOM 0 HD2 HIS A 60 57.358 -14.020 25.386 1.00 1.00 H new ATOM 0 HE1 HIS A 60 56.062 -17.011 22.705 1.00 1.00 H new ATOM 0 HE2 HIS A 60 57.733 -15.094 23.010 1.00 1.00 H new ATOM 920 N HIS A 61 53.335 -14.504 29.152 1.00 1.00 N ATOM 921 CA HIS A 61 52.443 -14.771 30.275 1.00 1.00 C ATOM 922 C HIS A 61 52.696 -13.781 31.408 1.00 1.00 C ATOM 923 O HIS A 61 53.761 -13.790 32.025 1.00 1.00 O ATOM 924 CB HIS A 61 52.657 -16.198 30.784 1.00 1.00 C ATOM 925 CG HIS A 61 52.133 -17.176 29.768 1.00 1.00 C ATOM 926 ND1 HIS A 61 52.948 -18.119 29.162 1.00 1.00 N ATOM 927 CD2 HIS A 61 50.879 -17.371 29.242 1.00 1.00 C ATOM 928 CE1 HIS A 61 52.184 -18.831 28.314 1.00 1.00 C ATOM 929 NE2 HIS A 61 50.914 -18.417 28.325 1.00 1.00 N ATOM 0 H HIS A 61 54.256 -14.153 29.415 1.00 1.00 H new ATOM 0 HA HIS A 61 51.414 -14.658 29.932 1.00 1.00 H new ATOM 0 HB2 HIS A 61 53.717 -16.376 30.963 1.00 1.00 H new ATOM 0 HB3 HIS A 61 52.145 -16.337 31.736 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.000 -16.800 29.501 1.00 1.00 H new ATOM 0 HE1 HIS A 61 52.553 -19.639 27.699 1.00 1.00 H new ATOM 0 HE2 HIS A 61 50.137 -18.788 27.779 1.00 1.00 H new ATOM 937 N HIS A 62 51.711 -12.932 31.675 1.00 1.00 N ATOM 938 CA HIS A 62 51.838 -11.940 32.736 1.00 1.00 C ATOM 939 C HIS A 62 52.108 -12.619 34.076 1.00 1.00 C ATOM 940 O HIS A 62 51.203 -12.784 34.894 1.00 1.00 O ATOM 941 CB HIS A 62 50.555 -11.111 32.834 1.00 1.00 C ATOM 942 CG HIS A 62 50.196 -10.582 31.473 1.00 1.00 C ATOM 943 ND1 HIS A 62 50.944 -10.879 30.343 1.00 1.00 N ATOM 944 CD2 HIS A 62 49.173 -9.775 31.042 1.00 1.00 C ATOM 945 CE1 HIS A 62 50.364 -10.259 29.298 1.00 1.00 C ATOM 946 NE2 HIS A 62 49.281 -9.572 29.669 1.00 1.00 N ATOM 0 H HIS A 62 50.822 -12.910 31.176 1.00 1.00 H new ATOM 0 HA HIS A 62 52.676 -11.286 32.496 1.00 1.00 H new ATOM 0 HB2 HIS A 62 49.742 -11.724 33.224 1.00 1.00 H new ATOM 0 HB3 HIS A 62 50.695 -10.285 33.532 1.00 1.00 H new ATOM 0 HD2 HIS A 62 48.401 -9.360 31.673 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.730 -10.311 28.283 1.00 1.00 H new ATOM 0 HE2 HIS A 62 48.665 -9.018 29.074 1.00 1.00 H new ATOM 954 N HIS A 63 53.359 -13.011 34.292 1.00 1.00 N ATOM 955 CA HIS A 63 53.738 -13.671 35.536 1.00 1.00 C ATOM 956 C HIS A 63 52.698 -14.716 35.926 1.00 1.00 C ATOM 957 O HIS A 63 51.698 -14.398 36.571 1.00 1.00 O ATOM 958 CB HIS A 63 53.874 -12.639 36.656 1.00 1.00 C ATOM 959 CG HIS A 63 54.620 -13.246 37.811 1.00 1.00 C ATOM 960 ND1 HIS A 63 53.972 -13.874 38.862 1.00 1.00 N ATOM 961 CD2 HIS A 63 55.961 -13.329 38.094 1.00 1.00 C ATOM 962 CE1 HIS A 63 54.914 -14.303 39.722 1.00 1.00 C ATOM 963 NE2 HIS A 63 56.144 -13.997 39.301 1.00 1.00 N ATOM 0 H HIS A 63 54.123 -12.885 33.628 1.00 1.00 H new ATOM 0 HA HIS A 63 54.696 -14.168 35.384 1.00 1.00 H new ATOM 0 HB2 HIS A 63 54.402 -11.758 36.291 1.00 1.00 H new ATOM 0 HB3 HIS A 63 52.888 -12.307 36.981 1.00 1.00 H new ATOM 0 HD2 HIS A 63 56.753 -12.936 37.474 1.00 1.00 H new ATOM 0 HE1 HIS A 63 54.701 -14.830 40.640 1.00 1.00 H new ATOM 0 HE2 HIS A 63 57.028 -14.208 39.765 1.00 1.00 H new ATOM 971 N HIS A 64 52.940 -15.962 35.533 1.00 1.00 N ATOM 972 CA HIS A 64 52.015 -17.044 35.849 1.00 1.00 C ATOM 973 C HIS A 64 52.362 -17.670 37.196 1.00 1.00 C ATOM 974 O HIS A 64 51.531 -17.611 38.087 1.00 1.00 O ATOM 975 CB HIS A 64 52.073 -18.115 34.757 1.00 1.00 C ATOM 976 CG HIS A 64 50.682 -18.601 34.457 1.00 1.00 C ATOM 977 ND1 HIS A 64 50.307 -19.036 33.195 1.00 1.00 N ATOM 978 CD2 HIS A 64 49.564 -18.727 35.244 1.00 1.00 C ATOM 979 CE1 HIS A 64 49.013 -19.399 33.259 1.00 1.00 C ATOM 980 NE2 HIS A 64 48.511 -19.231 34.485 1.00 1.00 N ATOM 981 OXT HIS A 64 53.455 -18.201 37.317 1.00 1.00 O ATOM 0 H HIS A 64 53.762 -16.246 35.000 1.00 1.00 H new ATOM 0 HA HIS A 64 51.007 -16.632 35.902 1.00 1.00 H new ATOM 0 HB2 HIS A 64 52.529 -17.706 33.855 1.00 1.00 H new ATOM 0 HB3 HIS A 64 52.698 -18.947 35.081 1.00 1.00 H new ATOM 0 HD2 HIS A 64 49.510 -18.474 36.292 1.00 1.00 H new ATOM 0 HE1 HIS A 64 48.449 -19.780 32.421 1.00 1.00 H new ATOM 0 HE2 HIS A 64 47.561 -19.429 34.798 1.00 1.00 H new TER 989 HIS A 64