USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 97 ASN :FLIP amide:sc= 0.517 F(o=-0.15,f=0.52) USER MOD Set 1.2: A 135 GLN : amide:sc= 0 X(o=0.52,f=0.39) USER MOD Set 2.1: A 109 MET CE :methyl 159:sc= -0.261 (180deg=-1.01) USER MOD Set 2.2: A 124 MET CE :methyl 164:sc= -0.0165 (180deg=-0.3) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.681 K(o=0.68,f=-4.7!) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot -62:sc= 0.618 USER MOD Set 4.2: A 30 LYS NZ :NH3+ -164:sc= 1.14 (180deg=-0.558) USER MOD Single : A 5 THR OG1 : rot -34:sc= 0.308 USER MOD Single : A 8 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc=-0.00855 (180deg=-0.337) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.688 USER MOD Single : A 36 MET CE :methyl -140:sc= 0 (180deg=-0.884) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 44 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -88:sc= 0.132 USER MOD Single : A 71 MET CE :methyl 121:sc= -0.0515 (180deg=-0.455) USER MOD Single : A 72 MET CE :methyl -172:sc= -0.044 (180deg=-0.229) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 107 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00588 USER MOD Single : A 111 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.52) USER MOD Single : A 115 LYS NZ :NH3+ 169:sc=-0.00804 (180deg=-0.135) USER MOD Single : A 117 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 137 ASN : amide:sc= 0.209 K(o=0.21,f=-6.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 143 GLN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 144 MET CE :methyl -179:sc= -0.271 (180deg=-0.271) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.950 17.672 1.694 1.00 0.00 N ATOM 59 CA THR A 5 -14.106 18.446 0.502 1.00 0.00 C ATOM 60 C THR A 5 -14.837 17.756 -0.598 1.00 0.00 C ATOM 61 O THR A 5 -15.014 16.540 -0.652 1.00 0.00 O ATOM 62 CB THR A 5 -12.759 18.874 0.001 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.891 17.751 -0.047 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.170 19.966 0.910 1.00 0.00 C ATOM 0 HA THR A 5 -14.720 19.301 0.786 1.00 0.00 H new ATOM 0 HB THR A 5 -12.867 19.286 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.100 17.144 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.192 20.265 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.835 20.829 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.064 19.578 1.923 1.00 0.00 H new ATOM 72 N GLU A 6 -15.441 18.514 -1.531 1.00 0.00 N ATOM 73 CA GLU A 6 -16.489 18.174 -2.442 1.00 0.00 C ATOM 74 C GLU A 6 -16.011 17.132 -3.392 1.00 0.00 C ATOM 75 O GLU A 6 -16.768 16.207 -3.684 1.00 0.00 O ATOM 76 CB GLU A 6 -17.132 19.326 -3.234 1.00 0.00 C ATOM 77 CG GLU A 6 -18.410 18.901 -3.959 1.00 0.00 C ATOM 78 CD GLU A 6 -19.021 20.046 -4.754 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.336 20.995 -5.220 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.254 19.911 -4.976 1.00 0.00 O ATOM 0 H GLU A 6 -15.156 19.485 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.288 17.814 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.361 20.146 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.415 19.706 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.187 18.072 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.136 18.537 -3.232 1.00 0.00 H new ATOM 87 N GLU A 7 -14.746 17.223 -3.843 1.00 0.00 N ATOM 88 CA GLU A 7 -14.171 16.255 -4.725 1.00 0.00 C ATOM 89 C GLU A 7 -14.049 14.933 -4.050 1.00 0.00 C ATOM 90 O GLU A 7 -14.353 13.890 -4.627 1.00 0.00 O ATOM 91 CB GLU A 7 -12.877 16.852 -5.303 1.00 0.00 C ATOM 92 CG GLU A 7 -11.799 17.037 -4.233 1.00 0.00 C ATOM 93 CD GLU A 7 -10.556 17.598 -4.909 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.580 18.842 -5.104 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.611 16.816 -5.195 1.00 0.00 O ATOM 0 H GLU A 7 -14.112 17.981 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.812 16.037 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.498 16.200 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.097 17.814 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.148 17.715 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.574 16.086 -3.751 1.00 0.00 H new ATOM 102 N GLN A 8 -13.753 14.901 -2.738 1.00 0.00 N ATOM 103 CA GLN A 8 -13.597 13.726 -1.937 1.00 0.00 C ATOM 104 C GLN A 8 -14.909 13.094 -1.625 1.00 0.00 C ATOM 105 O GLN A 8 -15.022 11.871 -1.673 1.00 0.00 O ATOM 106 CB GLN A 8 -12.792 14.074 -0.674 1.00 0.00 C ATOM 107 CG GLN A 8 -11.417 14.660 -1.002 1.00 0.00 C ATOM 108 CD GLN A 8 -10.509 13.521 -1.446 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.536 13.038 -2.577 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.660 12.948 -0.552 1.00 0.00 N ATOM 0 H GLN A 8 -13.613 15.756 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.038 12.979 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.355 14.789 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.666 13.177 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.501 15.409 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.999 15.161 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.600 13.311 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.083 12.155 -0.833 1.00 0.00 H new ATOM 119 N ILE A 9 -15.975 13.878 -1.378 1.00 0.00 N ATOM 120 CA ILE A 9 -17.337 13.457 -1.274 1.00 0.00 C ATOM 121 C ILE A 9 -17.762 12.848 -2.565 1.00 0.00 C ATOM 122 O ILE A 9 -18.202 11.703 -2.483 1.00 0.00 O ATOM 123 CB ILE A 9 -18.146 14.653 -0.865 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.780 15.252 0.503 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.611 14.190 -0.789 1.00 0.00 C ATOM 126 CD1 ILE A 9 -18.239 16.693 0.724 1.00 0.00 C ATOM 0 H ILE A 9 -15.874 14.884 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.482 12.684 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.953 15.434 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.212 14.626 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.697 15.210 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.243 15.028 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.928 13.823 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.702 13.390 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.934 17.024 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.787 17.338 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.325 16.746 0.642 1.00 0.00 H new ATOM 138 N ALA A 10 -17.461 13.513 -3.695 1.00 0.00 N ATOM 139 CA ALA A 10 -17.824 13.122 -5.022 1.00 0.00 C ATOM 140 C ALA A 10 -17.195 11.846 -5.464 1.00 0.00 C ATOM 141 O ALA A 10 -17.792 10.940 -6.042 1.00 0.00 O ATOM 142 CB ALA A 10 -17.481 14.273 -5.983 1.00 0.00 C ATOM 0 H ALA A 10 -16.928 14.382 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.896 12.925 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.752 13.991 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.036 15.166 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.412 14.480 -5.936 1.00 0.00 H new ATOM 148 N GLU A 11 -15.890 11.642 -5.209 1.00 0.00 N ATOM 149 CA GLU A 11 -15.247 10.414 -5.559 1.00 0.00 C ATOM 150 C GLU A 11 -15.745 9.295 -4.711 1.00 0.00 C ATOM 151 O GLU A 11 -15.839 8.204 -5.272 1.00 0.00 O ATOM 152 CB GLU A 11 -13.721 10.557 -5.432 1.00 0.00 C ATOM 153 CG GLU A 11 -13.025 11.274 -6.590 1.00 0.00 C ATOM 154 CD GLU A 11 -13.202 10.674 -7.978 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.951 9.447 -8.118 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.701 11.346 -8.919 1.00 0.00 O ATOM 0 H GLU A 11 -15.281 12.327 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.488 10.182 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.500 11.095 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.288 9.562 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.384 12.303 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.958 11.315 -6.372 1.00 0.00 H new ATOM 163 N PHE A 12 -16.118 9.521 -3.439 1.00 0.00 N ATOM 164 CA PHE A 12 -16.730 8.490 -2.660 1.00 0.00 C ATOM 165 C PHE A 12 -18.149 8.208 -3.014 1.00 0.00 C ATOM 166 O PHE A 12 -18.588 7.061 -3.080 1.00 0.00 O ATOM 167 CB PHE A 12 -16.536 8.634 -1.141 1.00 0.00 C ATOM 168 CG PHE A 12 -15.115 8.813 -0.733 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.007 8.403 -1.438 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.832 9.369 0.492 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.708 8.555 -1.015 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.548 9.628 0.912 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.477 9.311 0.110 1.00 0.00 C ATOM 0 H PHE A 12 -15.997 10.410 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.165 7.604 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.116 9.487 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.938 7.749 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.170 7.927 -2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.652 9.612 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.892 8.094 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.380 10.083 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.481 9.647 0.357 1.00 0.00 H new ATOM 183 N LYS A 13 -18.928 9.225 -3.426 1.00 0.00 N ATOM 184 CA LYS A 13 -20.291 9.098 -3.839 1.00 0.00 C ATOM 185 C LYS A 13 -20.462 8.332 -5.106 1.00 0.00 C ATOM 186 O LYS A 13 -21.302 7.438 -5.192 1.00 0.00 O ATOM 187 CB LYS A 13 -20.987 10.465 -3.961 1.00 0.00 C ATOM 188 CG LYS A 13 -22.502 10.455 -4.173 1.00 0.00 C ATOM 189 CD LYS A 13 -23.229 11.793 -4.027 1.00 0.00 C ATOM 190 CE LYS A 13 -23.440 12.136 -2.551 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.957 13.519 -2.447 1.00 0.00 N ATOM 0 H LYS A 13 -18.588 10.186 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.770 8.524 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.775 11.035 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.532 11.004 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.702 10.067 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.939 9.752 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.651 12.581 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.192 11.747 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.143 11.436 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.501 12.043 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.103 13.761 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.270 14.179 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.861 13.591 -2.956 1.00 0.00 H new ATOM 205 N GLU A 14 -19.645 8.575 -6.146 1.00 0.00 N ATOM 206 CA GLU A 14 -19.746 7.781 -7.331 1.00 0.00 C ATOM 207 C GLU A 14 -19.319 6.361 -7.187 1.00 0.00 C ATOM 208 O GLU A 14 -19.947 5.483 -7.778 1.00 0.00 O ATOM 209 CB GLU A 14 -18.956 8.542 -8.409 1.00 0.00 C ATOM 210 CG GLU A 14 -19.459 9.881 -8.952 1.00 0.00 C ATOM 211 CD GLU A 14 -20.921 9.717 -9.343 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.403 8.817 -10.082 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.684 10.669 -9.027 1.00 0.00 O ATOM 0 H GLU A 14 -18.931 9.303 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.795 7.664 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.956 8.713 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.850 7.871 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.352 10.661 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.867 10.188 -9.814 1.00 0.00 H new ATOM 220 N ALA A 15 -18.237 6.134 -6.421 1.00 0.00 N ATOM 221 CA ALA A 15 -17.651 4.889 -6.032 1.00 0.00 C ATOM 222 C ALA A 15 -18.639 3.943 -5.440 1.00 0.00 C ATOM 223 O ALA A 15 -18.669 2.770 -5.807 1.00 0.00 O ATOM 224 CB ALA A 15 -16.391 4.958 -5.154 1.00 0.00 C ATOM 0 H ALA A 15 -17.714 6.918 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.303 4.503 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.048 3.948 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.607 5.499 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.624 5.476 -4.224 1.00 0.00 H new ATOM 230 N PHE A 16 -19.440 4.486 -4.505 1.00 0.00 N ATOM 231 CA PHE A 16 -20.551 3.862 -3.856 1.00 0.00 C ATOM 232 C PHE A 16 -21.519 3.246 -4.807 1.00 0.00 C ATOM 233 O PHE A 16 -21.766 2.043 -4.734 1.00 0.00 O ATOM 234 CB PHE A 16 -21.286 4.856 -2.941 1.00 0.00 C ATOM 235 CG PHE A 16 -22.095 4.118 -1.930 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.357 3.754 -2.336 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.567 3.893 -0.681 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.134 3.038 -1.456 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.460 3.345 0.210 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.690 2.859 -0.167 1.00 0.00 C ATOM 0 H PHE A 16 -19.297 5.441 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.129 3.055 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.566 5.503 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.933 5.500 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.726 4.022 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.544 4.125 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.079 2.622 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.183 3.294 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 16 -24.307 2.337 0.549 1.00 0.00 H new ATOM 250 N SER A 17 -22.078 3.982 -5.784 1.00 0.00 N ATOM 251 CA SER A 17 -23.067 3.676 -6.771 1.00 0.00 C ATOM 252 C SER A 17 -22.590 2.737 -7.824 1.00 0.00 C ATOM 253 O SER A 17 -23.460 2.014 -8.306 1.00 0.00 O ATOM 254 CB SER A 17 -23.620 4.946 -7.440 1.00 0.00 C ATOM 255 OG SER A 17 -23.854 5.901 -6.416 1.00 0.00 O ATOM 0 H SER A 17 -21.781 4.952 -5.892 1.00 0.00 H new ATOM 0 HA SER A 17 -23.863 3.177 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.911 5.334 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.543 4.726 -7.977 1.00 0.00 H new ATOM 0 HG SER A 17 -24.206 6.725 -6.812 1.00 0.00 H new ATOM 261 N LEU A 18 -21.301 2.640 -8.195 1.00 0.00 N ATOM 262 CA LEU A 18 -20.695 1.642 -9.022 1.00 0.00 C ATOM 263 C LEU A 18 -20.725 0.269 -8.444 1.00 0.00 C ATOM 264 O LEU A 18 -20.824 -0.699 -9.196 1.00 0.00 O ATOM 265 CB LEU A 18 -19.230 1.886 -9.422 1.00 0.00 C ATOM 266 CG LEU A 18 -18.964 3.111 -10.312 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.486 3.535 -10.311 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.449 2.799 -11.738 1.00 0.00 C ATOM 0 H LEU A 18 -20.617 3.330 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.331 1.724 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.639 1.989 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.864 1.000 -9.941 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.517 3.958 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.356 4.404 -10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.181 3.788 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.872 2.714 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.266 3.660 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.908 1.936 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.517 2.580 -11.719 1.00 0.00 H new ATOM 280 N PHE A 19 -20.796 0.125 -7.108 1.00 0.00 N ATOM 281 CA PHE A 19 -20.831 -1.124 -6.413 1.00 0.00 C ATOM 282 C PHE A 19 -22.251 -1.440 -6.088 1.00 0.00 C ATOM 283 O PHE A 19 -22.626 -2.599 -6.253 1.00 0.00 O ATOM 284 CB PHE A 19 -20.035 -1.039 -5.100 1.00 0.00 C ATOM 285 CG PHE A 19 -18.590 -0.694 -5.210 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.864 -1.086 -6.310 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.929 0.019 -4.237 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.512 -0.843 -6.366 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.627 0.455 -4.300 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.965 -0.023 -5.407 1.00 0.00 C ATOM 0 H PHE A 19 -20.831 0.927 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.389 -1.896 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.513 -0.297 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.117 -1.999 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.357 -1.585 -7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.484 0.258 -3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.899 -1.282 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.174 1.101 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.933 0.269 -5.533 1.00 0.00 H new ATOM 300 N ASP A 20 -23.073 -0.443 -5.714 1.00 0.00 N ATOM 301 CA ASP A 20 -24.442 -0.553 -5.315 1.00 0.00 C ATOM 302 C ASP A 20 -25.247 -0.864 -6.530 1.00 0.00 C ATOM 303 O ASP A 20 -25.313 -0.067 -7.465 1.00 0.00 O ATOM 304 CB ASP A 20 -24.969 0.699 -4.592 1.00 0.00 C ATOM 305 CG ASP A 20 -26.170 0.254 -3.770 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.283 -0.117 -4.229 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.963 0.294 -2.528 1.00 0.00 O ATOM 0 H ASP A 20 -22.749 0.524 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.530 -1.354 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.199 1.129 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.254 1.469 -5.309 1.00 0.00 H new ATOM 312 N LYS A 21 -25.795 -2.088 -6.623 1.00 0.00 N ATOM 313 CA LYS A 21 -26.478 -2.555 -7.790 1.00 0.00 C ATOM 314 C LYS A 21 -27.909 -2.152 -7.890 1.00 0.00 C ATOM 315 O LYS A 21 -28.406 -1.858 -8.976 1.00 0.00 O ATOM 316 CB LYS A 21 -26.344 -4.078 -7.955 1.00 0.00 C ATOM 317 CG LYS A 21 -26.399 -4.511 -9.422 1.00 0.00 C ATOM 318 CD LYS A 21 -25.851 -5.938 -9.480 1.00 0.00 C ATOM 319 CE LYS A 21 -25.824 -6.483 -10.910 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.867 -5.673 -11.697 1.00 0.00 N ATOM 0 H LYS A 21 -25.763 -2.772 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.971 -2.051 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.402 -4.407 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.143 -4.573 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.421 -4.473 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.805 -3.843 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.843 -5.957 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.464 -6.588 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.525 -7.531 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.818 -6.434 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.614 -6.183 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.304 -4.762 -11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.010 -5.503 -11.133 1.00 0.00 H new ATOM 334 N ASP A 22 -28.549 -1.974 -6.720 1.00 0.00 N ATOM 335 CA ASP A 22 -29.929 -1.633 -6.561 1.00 0.00 C ATOM 336 C ASP A 22 -30.132 -0.170 -6.753 1.00 0.00 C ATOM 337 O ASP A 22 -31.114 0.338 -7.292 1.00 0.00 O ATOM 338 CB ASP A 22 -30.714 -2.237 -5.384 1.00 0.00 C ATOM 339 CG ASP A 22 -29.847 -3.269 -4.678 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.944 -2.866 -3.896 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.146 -4.484 -4.829 1.00 0.00 O ATOM 0 H ASP A 22 -28.069 -2.075 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.419 -2.174 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.006 -1.452 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.632 -2.702 -5.744 1.00 0.00 H new ATOM 346 N GLY A 23 -29.131 0.594 -6.279 1.00 0.00 N ATOM 347 CA GLY A 23 -29.062 2.021 -6.231 1.00 0.00 C ATOM 348 C GLY A 23 -29.384 2.561 -4.880 1.00 0.00 C ATOM 349 O GLY A 23 -29.538 3.754 -4.623 1.00 0.00 O ATOM 0 H GLY A 23 -28.289 0.168 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.061 2.343 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.754 2.440 -6.961 1.00 0.00 H new ATOM 353 N ASP A 24 -29.809 1.702 -3.936 1.00 0.00 N ATOM 354 CA ASP A 24 -30.563 2.032 -2.766 1.00 0.00 C ATOM 355 C ASP A 24 -29.697 2.691 -1.747 1.00 0.00 C ATOM 356 O ASP A 24 -30.185 3.317 -0.807 1.00 0.00 O ATOM 357 CB ASP A 24 -31.307 0.800 -2.226 1.00 0.00 C ATOM 358 CG ASP A 24 -30.437 -0.346 -1.728 1.00 0.00 C ATOM 359 OD1 ASP A 24 -29.227 -0.269 -2.072 1.00 0.00 O ATOM 360 OD2 ASP A 24 -30.849 -1.189 -0.887 1.00 0.00 O ATOM 0 H ASP A 24 -29.610 0.703 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.331 2.758 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.952 1.121 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.957 0.419 -3.014 1.00 0.00 H new ATOM 365 N GLY A 25 -28.353 2.699 -1.792 1.00 0.00 N ATOM 366 CA GLY A 25 -27.716 3.592 -0.875 1.00 0.00 C ATOM 367 C GLY A 25 -27.174 2.846 0.295 1.00 0.00 C ATOM 368 O GLY A 25 -26.617 3.369 1.259 1.00 0.00 O ATOM 0 H GLY A 25 -27.752 2.144 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.909 4.124 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.430 4.343 -0.535 1.00 0.00 H new ATOM 372 N THR A 26 -27.325 1.509 0.281 1.00 0.00 N ATOM 373 CA THR A 26 -26.606 0.656 1.176 1.00 0.00 C ATOM 374 C THR A 26 -25.841 -0.441 0.520 1.00 0.00 C ATOM 375 O THR A 26 -26.422 -1.152 -0.299 1.00 0.00 O ATOM 376 CB THR A 26 -27.511 0.048 2.206 1.00 0.00 C ATOM 377 OG1 THR A 26 -28.346 1.049 2.770 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.810 -0.687 3.361 1.00 0.00 C ATOM 0 H THR A 26 -27.951 1.016 -0.356 1.00 0.00 H new ATOM 0 HA THR A 26 -25.880 1.324 1.641 1.00 0.00 H new ATOM 0 HB THR A 26 -28.073 -0.706 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.935 0.644 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.558 -1.086 4.045 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.211 -1.505 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.164 0.009 3.896 1.00 0.00 H new ATOM 386 N ILE A 27 -24.548 -0.659 0.820 1.00 0.00 N ATOM 387 CA ILE A 27 -23.862 -1.776 0.247 1.00 0.00 C ATOM 388 C ILE A 27 -23.865 -3.025 1.058 1.00 0.00 C ATOM 389 O ILE A 27 -23.539 -2.957 2.242 1.00 0.00 O ATOM 390 CB ILE A 27 -22.415 -1.461 0.004 1.00 0.00 C ATOM 391 CG1 ILE A 27 -22.068 0.022 -0.207 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.792 -2.289 -1.132 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.569 0.315 -0.159 1.00 0.00 C ATOM 0 H ILE A 27 -23.988 -0.078 1.444 1.00 0.00 H new ATOM 0 HA ILE A 27 -24.426 -1.954 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.970 -1.749 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.462 0.344 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.570 0.616 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.745 -2.010 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.859 -3.349 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.329 -2.095 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.401 1.381 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -20.172 0.025 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.062 -0.251 -0.941 1.00 0.00 H new ATOM 405 N THR A 28 -24.419 -4.121 0.509 1.00 0.00 N ATOM 406 CA THR A 28 -24.445 -5.360 1.222 1.00 0.00 C ATOM 407 C THR A 28 -23.245 -6.183 0.899 1.00 0.00 C ATOM 408 O THR A 28 -22.335 -5.893 0.124 1.00 0.00 O ATOM 409 CB THR A 28 -25.636 -6.188 0.840 1.00 0.00 C ATOM 410 OG1 THR A 28 -25.859 -6.423 -0.543 1.00 0.00 O ATOM 411 CG2 THR A 28 -26.897 -5.390 1.210 1.00 0.00 C ATOM 0 H THR A 28 -24.844 -4.150 -0.418 1.00 0.00 H new ATOM 0 HA THR A 28 -24.477 -5.101 2.280 1.00 0.00 H new ATOM 0 HB THR A 28 -25.444 -7.137 1.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 -26.016 -5.570 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 -27.783 -5.966 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 28 -26.901 -5.192 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 28 -26.902 -4.445 0.667 1.00 0.00 H new ATOM 419 N THR A 29 -23.090 -7.238 1.719 1.00 0.00 N ATOM 420 CA THR A 29 -22.032 -8.195 1.634 1.00 0.00 C ATOM 421 C THR A 29 -21.940 -8.933 0.343 1.00 0.00 C ATOM 422 O THR A 29 -20.832 -9.198 -0.120 1.00 0.00 O ATOM 423 CB THR A 29 -22.081 -9.236 2.713 1.00 0.00 C ATOM 424 OG1 THR A 29 -23.448 -9.615 2.760 1.00 0.00 O ATOM 425 CG2 THR A 29 -21.759 -8.657 4.100 1.00 0.00 C ATOM 0 H THR A 29 -23.738 -7.433 2.482 1.00 0.00 H new ATOM 0 HA THR A 29 -21.156 -7.555 1.742 1.00 0.00 H new ATOM 0 HB THR A 29 -21.367 -10.032 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 29 -23.573 -10.303 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 29 -21.808 -9.450 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 29 -20.757 -8.228 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 29 -22.484 -7.881 4.348 1.00 0.00 H new ATOM 433 N LYS A 30 -23.041 -9.200 -0.383 1.00 0.00 N ATOM 434 CA LYS A 30 -23.012 -9.552 -1.769 1.00 0.00 C ATOM 435 C LYS A 30 -22.362 -8.622 -2.734 1.00 0.00 C ATOM 436 O LYS A 30 -21.458 -8.955 -3.499 1.00 0.00 O ATOM 437 CB LYS A 30 -24.415 -9.949 -2.260 1.00 0.00 C ATOM 438 CG LYS A 30 -25.599 -8.981 -2.216 1.00 0.00 C ATOM 439 CD LYS A 30 -26.958 -9.607 -2.538 1.00 0.00 C ATOM 440 CE LYS A 30 -28.081 -8.569 -2.570 1.00 0.00 C ATOM 441 NZ LYS A 30 -28.118 -7.915 -1.243 1.00 0.00 N ATOM 0 H LYS A 30 -23.983 -9.170 0.008 1.00 0.00 H new ATOM 0 HA LYS A 30 -22.326 -10.399 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.306 -10.264 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -24.709 -10.830 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -25.648 -8.535 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.413 -8.171 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.904 -10.111 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.191 -10.368 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.902 -7.834 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.037 -9.044 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.019 -7.409 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.030 -8.636 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.330 -7.240 -1.166 1.00 0.00 H new ATOM 455 N GLU A 31 -22.787 -7.351 -2.623 1.00 0.00 N ATOM 456 CA GLU A 31 -22.225 -6.278 -3.384 1.00 0.00 C ATOM 457 C GLU A 31 -20.776 -6.005 -3.165 1.00 0.00 C ATOM 458 O GLU A 31 -20.115 -5.647 -4.139 1.00 0.00 O ATOM 459 CB GLU A 31 -23.051 -5.009 -3.115 1.00 0.00 C ATOM 460 CG GLU A 31 -24.530 -5.021 -3.507 1.00 0.00 C ATOM 461 CD GLU A 31 -25.545 -3.987 -3.040 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.924 -3.824 -1.850 1.00 0.00 O ATOM 463 OE2 GLU A 31 -26.017 -3.266 -3.959 1.00 0.00 O ATOM 0 H GLU A 31 -23.535 -7.063 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.276 -6.593 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.989 -4.790 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.573 -4.181 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.556 -5.002 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.919 -5.991 -3.196 1.00 0.00 H new ATOM 470 N LEU A 32 -20.238 -6.307 -1.970 1.00 0.00 N ATOM 471 CA LEU A 32 -18.846 -6.167 -1.672 1.00 0.00 C ATOM 472 C LEU A 32 -18.141 -7.367 -2.203 1.00 0.00 C ATOM 473 O LEU A 32 -17.271 -7.197 -3.056 1.00 0.00 O ATOM 474 CB LEU A 32 -18.626 -6.092 -0.151 1.00 0.00 C ATOM 475 CG LEU A 32 -19.034 -4.747 0.471 1.00 0.00 C ATOM 476 CD1 LEU A 32 -19.437 -4.860 1.951 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.813 -3.836 0.256 1.00 0.00 C ATOM 0 H LEU A 32 -20.788 -6.659 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.464 -5.252 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -19.193 -6.890 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.573 -6.276 0.064 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.932 -4.346 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -19.714 -3.876 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -20.286 -5.537 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.597 -5.248 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.017 -2.849 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.945 -4.267 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.610 -3.745 -0.811 1.00 0.00 H new ATOM 489 N GLY A 33 -18.534 -8.603 -1.847 1.00 0.00 N ATOM 490 CA GLY A 33 -17.964 -9.720 -2.535 1.00 0.00 C ATOM 491 C GLY A 33 -17.918 -9.752 -4.024 1.00 0.00 C ATOM 492 O GLY A 33 -16.976 -10.273 -4.618 1.00 0.00 O ATOM 0 H GLY A 33 -19.213 -8.825 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.939 -9.827 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.508 -10.608 -2.211 1.00 0.00 H new ATOM 496 N THR A 34 -18.849 -9.040 -4.685 1.00 0.00 N ATOM 497 CA THR A 34 -18.749 -8.749 -6.081 1.00 0.00 C ATOM 498 C THR A 34 -17.571 -7.968 -6.552 1.00 0.00 C ATOM 499 O THR A 34 -17.155 -8.229 -7.680 1.00 0.00 O ATOM 500 CB THR A 34 -20.058 -8.187 -6.549 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.093 -9.143 -6.375 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.057 -7.890 -8.058 1.00 0.00 C ATOM 0 H THR A 34 -19.685 -8.660 -4.242 1.00 0.00 H new ATOM 0 HA THR A 34 -18.540 -9.705 -6.560 1.00 0.00 H new ATOM 0 HB THR A 34 -20.212 -7.278 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.343 -9.185 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.026 -7.485 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.277 -7.164 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.868 -8.811 -8.610 1.00 0.00 H new ATOM 510 N VAL A 35 -17.072 -7.016 -5.744 1.00 0.00 N ATOM 511 CA VAL A 35 -16.078 -6.066 -6.137 1.00 0.00 C ATOM 512 C VAL A 35 -14.762 -6.758 -6.225 1.00 0.00 C ATOM 513 O VAL A 35 -13.959 -6.486 -7.117 1.00 0.00 O ATOM 514 CB VAL A 35 -15.821 -4.986 -5.128 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.696 -3.980 -5.420 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.120 -4.195 -4.897 1.00 0.00 C ATOM 0 H VAL A 35 -17.374 -6.903 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.454 -5.638 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.473 -5.536 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.630 -3.261 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.749 -4.511 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.911 -3.454 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.941 -3.408 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.446 -3.749 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.894 -4.867 -4.526 1.00 0.00 H new ATOM 526 N MET A 36 -14.416 -7.661 -5.291 1.00 0.00 N ATOM 527 CA MET A 36 -13.265 -8.483 -5.505 1.00 0.00 C ATOM 528 C MET A 36 -13.230 -9.334 -6.728 1.00 0.00 C ATOM 529 O MET A 36 -12.168 -9.539 -7.313 1.00 0.00 O ATOM 530 CB MET A 36 -13.103 -9.370 -4.259 1.00 0.00 C ATOM 531 CG MET A 36 -12.852 -8.645 -2.936 1.00 0.00 C ATOM 532 SD MET A 36 -14.345 -8.188 -2.004 1.00 0.00 S ATOM 533 CE MET A 36 -13.464 -7.004 -0.946 1.00 0.00 C ATOM 0 H MET A 36 -14.914 -7.820 -4.415 1.00 0.00 H new ATOM 0 HA MET A 36 -12.444 -7.787 -5.674 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.003 -9.975 -4.151 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.275 -10.057 -4.434 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.230 -9.280 -2.305 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.280 -7.740 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.835 -7.083 0.076 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.397 -7.225 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.630 -5.992 -1.315 1.00 0.00 H new ATOM 543 N ARG A 37 -14.376 -9.867 -7.188 1.00 0.00 N ATOM 544 CA ARG A 37 -14.494 -10.535 -8.446 1.00 0.00 C ATOM 545 C ARG A 37 -14.213 -9.719 -9.661 1.00 0.00 C ATOM 546 O ARG A 37 -13.519 -10.077 -10.611 1.00 0.00 O ATOM 547 CB ARG A 37 -15.857 -11.204 -8.694 1.00 0.00 C ATOM 548 CG ARG A 37 -16.211 -12.388 -7.793 1.00 0.00 C ATOM 549 CD ARG A 37 -17.592 -12.973 -8.099 1.00 0.00 C ATOM 550 NE ARG A 37 -17.657 -13.532 -9.479 1.00 0.00 N ATOM 551 CZ ARG A 37 -17.257 -14.774 -9.881 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.777 -15.672 -8.972 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.260 -15.228 -11.168 1.00 0.00 N ATOM 0 H ARG A 37 -15.251 -9.831 -6.665 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.706 -11.278 -8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.634 -10.447 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.887 -11.543 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.457 -13.167 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.179 -12.068 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.824 -13.756 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -18.350 -12.198 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 37 -18.041 -12.922 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.716 -15.417 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.480 -16.598 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.580 -14.621 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.942 -16.175 -11.376 1.00 0.00 H new ATOM 567 N SER A 38 -14.743 -8.485 -9.725 1.00 0.00 N ATOM 568 CA SER A 38 -14.546 -7.515 -10.758 1.00 0.00 C ATOM 569 C SER A 38 -13.215 -6.848 -10.705 1.00 0.00 C ATOM 570 O SER A 38 -12.635 -6.320 -11.653 1.00 0.00 O ATOM 571 CB SER A 38 -15.510 -6.321 -10.652 1.00 0.00 C ATOM 572 OG SER A 38 -16.880 -6.587 -10.913 1.00 0.00 O ATOM 0 H SER A 38 -15.361 -8.138 -8.992 1.00 0.00 H new ATOM 0 HA SER A 38 -14.687 -8.111 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.429 -5.905 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.174 -5.549 -11.345 1.00 0.00 H new ATOM 0 HG SER A 38 -17.398 -5.761 -10.816 1.00 0.00 H new ATOM 578 N LEU A 39 -12.469 -6.980 -9.594 1.00 0.00 N ATOM 579 CA LEU A 39 -11.066 -6.705 -9.571 1.00 0.00 C ATOM 580 C LEU A 39 -10.180 -7.807 -10.041 1.00 0.00 C ATOM 581 O LEU A 39 -8.958 -7.675 -10.082 1.00 0.00 O ATOM 582 CB LEU A 39 -10.559 -6.288 -8.180 1.00 0.00 C ATOM 583 CG LEU A 39 -10.963 -4.831 -7.895 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.791 -4.517 -6.399 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.064 -3.907 -8.734 1.00 0.00 C ATOM 0 H LEU A 39 -12.846 -7.283 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.995 -5.883 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.976 -6.947 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.475 -6.391 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.009 -4.676 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.080 -3.483 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.423 -5.184 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.749 -4.661 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.334 -2.868 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.021 -4.066 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.198 -4.131 -9.792 1.00 0.00 H new ATOM 597 N GLY A 40 -10.751 -8.966 -10.415 1.00 0.00 N ATOM 598 CA GLY A 40 -9.994 -10.114 -10.805 1.00 0.00 C ATOM 599 C GLY A 40 -9.381 -10.918 -9.710 1.00 0.00 C ATOM 600 O GLY A 40 -8.437 -11.640 -10.026 1.00 0.00 O ATOM 0 H GLY A 40 -11.761 -9.108 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.645 -10.769 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.197 -9.785 -11.472 1.00 0.00 H new ATOM 604 N GLN A 41 -9.904 -10.842 -8.473 1.00 0.00 N ATOM 605 CA GLN A 41 -9.469 -11.665 -7.387 1.00 0.00 C ATOM 606 C GLN A 41 -10.537 -12.669 -7.117 1.00 0.00 C ATOM 607 O GLN A 41 -11.678 -12.578 -7.566 1.00 0.00 O ATOM 608 CB GLN A 41 -9.327 -10.750 -6.160 1.00 0.00 C ATOM 609 CG GLN A 41 -8.195 -9.721 -6.190 1.00 0.00 C ATOM 610 CD GLN A 41 -8.151 -8.973 -4.865 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.856 -7.969 -4.772 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.443 -9.561 -3.863 1.00 0.00 N ATOM 0 H GLN A 41 -10.648 -10.192 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.528 -12.169 -7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.267 -10.216 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.189 -11.380 -5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.242 -10.219 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.349 -9.020 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.888 -10.396 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.467 -9.167 -2.922 1.00 0.00 H new ATOM 621 N ASN A 42 -10.168 -13.745 -6.399 1.00 0.00 N ATOM 622 CA ASN A 42 -11.104 -14.738 -5.972 1.00 0.00 C ATOM 623 C ASN A 42 -10.848 -15.099 -4.550 1.00 0.00 C ATOM 624 O ASN A 42 -10.379 -16.209 -4.302 1.00 0.00 O ATOM 625 CB ASN A 42 -11.094 -15.982 -6.877 1.00 0.00 C ATOM 626 CG ASN A 42 -12.336 -16.859 -6.817 1.00 0.00 C ATOM 627 OD1 ASN A 42 -13.300 -16.535 -6.125 1.00 0.00 O ATOM 628 ND2 ASN A 42 -12.316 -17.999 -7.559 1.00 0.00 N ATOM 0 H ASN A 42 -9.207 -13.928 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.103 -14.310 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.953 -15.656 -7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.230 -16.592 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.122 -18.624 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.495 -18.229 -8.119 1.00 0.00 H new ATOM 635 N PRO A 43 -11.181 -14.332 -3.555 1.00 0.00 N ATOM 636 CA PRO A 43 -11.327 -14.786 -2.202 1.00 0.00 C ATOM 637 C PRO A 43 -12.270 -15.920 -1.993 1.00 0.00 C ATOM 638 O PRO A 43 -13.302 -15.954 -2.662 1.00 0.00 O ATOM 639 CB PRO A 43 -11.652 -13.546 -1.373 1.00 0.00 C ATOM 640 CG PRO A 43 -11.995 -12.449 -2.393 1.00 0.00 C ATOM 641 CD PRO A 43 -11.184 -12.879 -3.626 1.00 0.00 C ATOM 0 HA PRO A 43 -10.394 -15.247 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.489 -13.732 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.804 -13.255 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.064 -12.410 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.703 -11.460 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.643 -12.525 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.172 -12.476 -3.599 1.00 0.00 H new ATOM 649 N THR A 44 -11.905 -16.796 -1.040 1.00 0.00 N ATOM 650 CA THR A 44 -12.789 -17.624 -0.281 1.00 0.00 C ATOM 651 C THR A 44 -13.724 -16.897 0.623 1.00 0.00 C ATOM 652 O THR A 44 -13.603 -15.699 0.874 1.00 0.00 O ATOM 653 CB THR A 44 -12.082 -18.591 0.623 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.151 -18.030 1.537 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.411 -19.633 -0.288 1.00 0.00 C ATOM 0 H THR A 44 -10.927 -16.934 -0.784 1.00 0.00 H new ATOM 0 HA THR A 44 -13.335 -18.123 -1.082 1.00 0.00 H new ATOM 0 HB THR A 44 -12.829 -19.027 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.284 -17.918 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.881 -20.363 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.171 -20.141 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.705 -19.135 -0.952 1.00 0.00 H new ATOM 663 N GLU A 45 -14.748 -17.555 1.195 1.00 0.00 N ATOM 664 CA GLU A 45 -15.615 -16.962 2.166 1.00 0.00 C ATOM 665 C GLU A 45 -15.007 -16.468 3.434 1.00 0.00 C ATOM 666 O GLU A 45 -15.504 -15.673 4.231 1.00 0.00 O ATOM 667 CB GLU A 45 -16.803 -17.917 2.365 1.00 0.00 C ATOM 668 CG GLU A 45 -17.673 -18.153 1.128 1.00 0.00 C ATOM 669 CD GLU A 45 -18.788 -19.119 1.504 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.842 -18.820 2.126 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.604 -20.272 1.030 1.00 0.00 O ATOM 0 H GLU A 45 -14.979 -18.524 0.977 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.942 -16.006 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.420 -18.878 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.434 -17.523 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.091 -17.211 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.074 -18.563 0.315 1.00 0.00 H new ATOM 678 N ALA A 46 -13.819 -16.999 3.774 1.00 0.00 N ATOM 679 CA ALA A 46 -13.154 -16.589 4.972 1.00 0.00 C ATOM 680 C ALA A 46 -12.227 -15.446 4.739 1.00 0.00 C ATOM 681 O ALA A 46 -12.278 -14.439 5.444 1.00 0.00 O ATOM 682 CB ALA A 46 -12.539 -17.743 5.781 1.00 0.00 C ATOM 0 H ALA A 46 -13.324 -17.703 3.227 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.937 -16.210 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.055 -17.345 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.324 -18.440 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.802 -18.263 5.170 1.00 0.00 H new ATOM 688 N GLU A 47 -11.560 -15.523 3.574 1.00 0.00 N ATOM 689 CA GLU A 47 -10.933 -14.323 3.115 1.00 0.00 C ATOM 690 C GLU A 47 -11.823 -13.174 2.788 1.00 0.00 C ATOM 691 O GLU A 47 -11.382 -12.031 2.901 1.00 0.00 O ATOM 692 CB GLU A 47 -10.255 -14.693 1.785 1.00 0.00 C ATOM 693 CG GLU A 47 -9.096 -15.666 2.009 1.00 0.00 C ATOM 694 CD GLU A 47 -8.571 -16.158 0.668 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.227 -16.990 -0.014 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.433 -15.734 0.332 1.00 0.00 O ATOM 0 H GLU A 47 -11.457 -16.350 2.986 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.294 -13.992 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.986 -15.142 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.887 -13.790 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.298 -15.174 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.429 -16.511 2.612 1.00 0.00 H new ATOM 703 N LEU A 48 -13.044 -13.396 2.268 1.00 0.00 N ATOM 704 CA LEU A 48 -14.039 -12.374 2.176 1.00 0.00 C ATOM 705 C LEU A 48 -14.461 -11.816 3.492 1.00 0.00 C ATOM 706 O LEU A 48 -14.525 -10.597 3.644 1.00 0.00 O ATOM 707 CB LEU A 48 -15.243 -12.937 1.402 1.00 0.00 C ATOM 708 CG LEU A 48 -16.200 -11.810 0.977 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.597 -10.574 0.289 1.00 0.00 C ATOM 710 CD2 LEU A 48 -17.285 -12.466 0.107 1.00 0.00 C ATOM 0 H LEU A 48 -13.345 -14.301 1.905 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.597 -11.530 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.894 -13.475 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.776 -13.656 2.024 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.585 -11.367 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.391 -9.868 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.879 -10.099 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.092 -10.878 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.994 -11.707 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.822 -12.933 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.809 -13.224 0.689 1.00 0.00 H new ATOM 722 N GLN A 49 -14.767 -12.595 4.545 1.00 0.00 N ATOM 723 CA GLN A 49 -15.204 -12.149 5.831 1.00 0.00 C ATOM 724 C GLN A 49 -14.172 -11.281 6.466 1.00 0.00 C ATOM 725 O GLN A 49 -14.479 -10.319 7.168 1.00 0.00 O ATOM 726 CB GLN A 49 -15.436 -13.368 6.739 1.00 0.00 C ATOM 727 CG GLN A 49 -16.319 -13.120 7.963 1.00 0.00 C ATOM 728 CD GLN A 49 -16.534 -14.269 8.938 1.00 0.00 C ATOM 729 OE1 GLN A 49 -17.605 -14.873 8.964 1.00 0.00 O ATOM 730 NE2 GLN A 49 -15.454 -14.490 9.734 1.00 0.00 N ATOM 0 H GLN A 49 -14.704 -13.612 4.492 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.125 -11.581 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.886 -14.162 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.468 -13.735 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.891 -12.286 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.298 -12.797 7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.613 -13.923 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.485 -15.222 10.443 1.00 0.00 H new ATOM 739 N ASP A 50 -12.903 -11.638 6.198 1.00 0.00 N ATOM 740 CA ASP A 50 -11.718 -10.940 6.587 1.00 0.00 C ATOM 741 C ASP A 50 -11.651 -9.557 6.035 1.00 0.00 C ATOM 742 O ASP A 50 -11.534 -8.564 6.752 1.00 0.00 O ATOM 743 CB ASP A 50 -10.448 -11.734 6.235 1.00 0.00 C ATOM 744 CG ASP A 50 -9.218 -11.140 6.905 1.00 0.00 C ATOM 745 OD1 ASP A 50 -9.189 -10.934 8.148 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.220 -10.969 6.156 1.00 0.00 O ATOM 0 H ASP A 50 -12.691 -12.483 5.667 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.769 -10.845 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.568 -12.772 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.308 -11.739 5.154 1.00 0.00 H new ATOM 751 N MET A 51 -11.772 -9.401 4.705 1.00 0.00 N ATOM 752 CA MET A 51 -11.855 -8.096 4.128 1.00 0.00 C ATOM 753 C MET A 51 -13.048 -7.257 4.437 1.00 0.00 C ATOM 754 O MET A 51 -12.976 -6.031 4.364 1.00 0.00 O ATOM 755 CB MET A 51 -11.865 -8.305 2.604 1.00 0.00 C ATOM 756 CG MET A 51 -10.664 -9.036 2.002 1.00 0.00 C ATOM 757 SD MET A 51 -11.124 -9.576 0.328 1.00 0.00 S ATOM 758 CE MET A 51 -9.472 -9.717 -0.414 1.00 0.00 C ATOM 0 H MET A 51 -11.812 -10.169 4.035 1.00 0.00 H new ATOM 0 HA MET A 51 -11.014 -7.550 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.766 -8.859 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.942 -7.328 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.795 -8.378 1.966 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.390 -9.893 2.618 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.565 -10.041 -1.450 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.974 -8.748 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.884 -10.447 0.143 1.00 0.00 H new ATOM 768 N ILE A 52 -14.122 -7.955 4.844 1.00 0.00 N ATOM 769 CA ILE A 52 -15.200 -7.260 5.477 1.00 0.00 C ATOM 770 C ILE A 52 -14.815 -6.634 6.773 1.00 0.00 C ATOM 771 O ILE A 52 -15.128 -5.480 7.060 1.00 0.00 O ATOM 772 CB ILE A 52 -16.411 -8.132 5.638 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.984 -8.483 4.255 1.00 0.00 C ATOM 774 CG2 ILE A 52 -17.494 -7.524 6.545 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.964 -9.655 4.270 1.00 0.00 C ATOM 0 H ILE A 52 -14.245 -8.962 4.741 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.459 -6.444 4.802 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.083 -9.040 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.488 -7.606 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.161 -8.719 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.338 -8.210 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.082 -7.354 7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.830 -6.576 6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.324 -9.841 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.460 -10.546 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.808 -9.415 4.917 1.00 0.00 H new ATOM 787 N ASN A 53 -14.207 -7.458 7.644 1.00 0.00 N ATOM 788 CA ASN A 53 -13.896 -7.094 8.992 1.00 0.00 C ATOM 789 C ASN A 53 -12.890 -5.996 9.015 1.00 0.00 C ATOM 790 O ASN A 53 -12.662 -5.311 10.011 1.00 0.00 O ATOM 791 CB ASN A 53 -13.476 -8.400 9.688 1.00 0.00 C ATOM 792 CG ASN A 53 -13.113 -8.178 11.150 1.00 0.00 C ATOM 793 OD1 ASN A 53 -13.890 -7.710 11.981 1.00 0.00 O ATOM 794 ND2 ASN A 53 -11.848 -8.506 11.528 1.00 0.00 N ATOM 0 H ASN A 53 -13.923 -8.408 7.403 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.739 -6.672 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.289 -9.123 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.623 -8.831 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.551 -8.363 12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.197 -8.895 10.846 1.00 0.00 H new ATOM 801 N GLU A 54 -12.140 -5.826 7.912 1.00 0.00 N ATOM 802 CA GLU A 54 -11.102 -4.869 7.680 1.00 0.00 C ATOM 803 C GLU A 54 -11.667 -3.491 7.706 1.00 0.00 C ATOM 804 O GLU A 54 -11.102 -2.581 8.311 1.00 0.00 O ATOM 805 CB GLU A 54 -10.245 -5.152 6.434 1.00 0.00 C ATOM 806 CG GLU A 54 -9.144 -4.145 6.099 1.00 0.00 C ATOM 807 CD GLU A 54 -8.648 -4.274 4.666 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.334 -3.815 3.715 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.516 -4.782 4.443 1.00 0.00 O ATOM 0 H GLU A 54 -12.277 -6.424 7.097 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.390 -4.963 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.781 -6.131 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.912 -5.222 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.520 -3.135 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.307 -4.286 6.783 1.00 0.00 H new ATOM 816 N VAL A 55 -12.836 -3.320 7.064 1.00 0.00 N ATOM 817 CA VAL A 55 -13.552 -2.085 6.980 1.00 0.00 C ATOM 818 C VAL A 55 -14.656 -1.953 7.971 1.00 0.00 C ATOM 819 O VAL A 55 -14.991 -0.913 8.537 1.00 0.00 O ATOM 820 CB VAL A 55 -14.029 -1.718 5.606 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.795 -1.366 4.757 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.871 -2.804 4.916 1.00 0.00 C ATOM 0 H VAL A 55 -13.306 -4.084 6.578 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.785 -1.357 7.243 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.703 -0.867 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.112 -1.094 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.269 -0.526 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.129 -2.228 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.174 -2.457 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.279 -3.714 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.757 -3.013 5.515 1.00 0.00 H new ATOM 832 N ASP A 56 -15.358 -3.008 8.421 1.00 0.00 N ATOM 833 CA ASP A 56 -16.501 -2.965 9.279 1.00 0.00 C ATOM 834 C ASP A 56 -16.231 -2.929 10.744 1.00 0.00 C ATOM 835 O ASP A 56 -15.688 -3.898 11.273 1.00 0.00 O ATOM 836 CB ASP A 56 -17.537 -4.048 8.936 1.00 0.00 C ATOM 837 CG ASP A 56 -18.948 -3.546 9.210 1.00 0.00 C ATOM 838 OD1 ASP A 56 -19.209 -2.899 10.260 1.00 0.00 O ATOM 839 OD2 ASP A 56 -19.822 -3.674 8.312 1.00 0.00 O ATOM 0 H ASP A 56 -15.106 -3.963 8.165 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.924 -1.985 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.443 -4.330 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.343 -4.944 9.526 1.00 0.00 H new ATOM 844 N ALA A 57 -16.548 -1.778 11.364 1.00 0.00 N ATOM 845 CA ALA A 57 -16.162 -1.651 12.735 1.00 0.00 C ATOM 846 C ALA A 57 -17.230 -2.146 13.649 1.00 0.00 C ATOM 847 O ALA A 57 -16.979 -2.685 14.726 1.00 0.00 O ATOM 848 CB ALA A 57 -15.959 -0.160 13.051 1.00 0.00 C ATOM 0 H ALA A 57 -17.038 -0.984 10.952 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.253 -2.234 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.664 -0.046 14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.179 0.246 12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.890 0.379 12.876 1.00 0.00 H new ATOM 854 N ASP A 58 -18.517 -2.069 13.268 1.00 0.00 N ATOM 855 CA ASP A 58 -19.684 -2.539 13.948 1.00 0.00 C ATOM 856 C ASP A 58 -19.904 -3.990 13.688 1.00 0.00 C ATOM 857 O ASP A 58 -20.511 -4.710 14.479 1.00 0.00 O ATOM 858 CB ASP A 58 -20.815 -1.546 13.634 1.00 0.00 C ATOM 859 CG ASP A 58 -21.123 -1.562 12.144 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.926 -2.414 11.680 1.00 0.00 O ATOM 861 OD2 ASP A 58 -20.684 -0.675 11.364 1.00 0.00 O ATOM 0 H ASP A 58 -18.764 -1.627 12.383 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.599 -2.540 15.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.708 -1.808 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.525 -0.542 13.943 1.00 0.00 H new ATOM 866 N GLY A 59 -19.292 -4.497 12.603 1.00 0.00 N ATOM 867 CA GLY A 59 -19.135 -5.897 12.357 1.00 0.00 C ATOM 868 C GLY A 59 -19.971 -6.557 11.315 1.00 0.00 C ATOM 869 O GLY A 59 -19.569 -7.600 10.802 1.00 0.00 O ATOM 0 H GLY A 59 -18.892 -3.911 11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.091 -6.067 12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -19.316 -6.416 13.298 1.00 0.00 H new ATOM 873 N ASN A 60 -21.136 -6.016 10.915 1.00 0.00 N ATOM 874 CA ASN A 60 -22.198 -6.734 10.281 1.00 0.00 C ATOM 875 C ASN A 60 -22.061 -7.025 8.827 1.00 0.00 C ATOM 876 O ASN A 60 -22.762 -7.913 8.342 1.00 0.00 O ATOM 877 CB ASN A 60 -23.566 -6.059 10.478 1.00 0.00 C ATOM 878 CG ASN A 60 -23.723 -4.656 9.909 1.00 0.00 C ATOM 879 OD1 ASN A 60 -22.894 -4.076 9.209 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.910 -4.080 10.239 1.00 0.00 N ATOM 0 H ASN A 60 -21.348 -5.026 11.041 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.128 -7.690 10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -24.328 -6.696 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -23.775 -6.018 11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.132 -3.143 9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.578 -4.586 10.821 1.00 0.00 H new ATOM 887 N GLY A 61 -21.180 -6.286 8.130 1.00 0.00 N ATOM 888 CA GLY A 61 -21.001 -6.409 6.716 1.00 0.00 C ATOM 889 C GLY A 61 -22.015 -5.649 5.932 1.00 0.00 C ATOM 890 O GLY A 61 -21.894 -5.591 4.710 1.00 0.00 O ATOM 0 H GLY A 61 -20.576 -5.585 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.005 -6.056 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.051 -7.462 6.439 1.00 0.00 H new ATOM 894 N THR A 62 -22.924 -4.878 6.556 1.00 0.00 N ATOM 895 CA THR A 62 -23.821 -3.992 5.882 1.00 0.00 C ATOM 896 C THR A 62 -23.209 -2.644 6.056 1.00 0.00 C ATOM 897 O THR A 62 -22.904 -2.267 7.186 1.00 0.00 O ATOM 898 CB THR A 62 -25.250 -4.017 6.336 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.564 -5.173 7.100 1.00 0.00 O ATOM 900 CG2 THR A 62 -26.119 -4.108 5.070 1.00 0.00 C ATOM 0 H THR A 62 -23.038 -4.872 7.570 1.00 0.00 H new ATOM 0 HA THR A 62 -23.920 -4.305 4.843 1.00 0.00 H new ATOM 0 HB THR A 62 -25.423 -3.130 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.505 -5.140 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 62 -27.172 -4.129 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 62 -25.930 -3.242 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.872 -5.018 4.523 1.00 0.00 H new ATOM 908 N ILE A 63 -22.895 -1.935 4.957 1.00 0.00 N ATOM 909 CA ILE A 63 -22.146 -0.718 4.912 1.00 0.00 C ATOM 910 C ILE A 63 -23.025 0.266 4.219 1.00 0.00 C ATOM 911 O ILE A 63 -23.648 -0.017 3.196 1.00 0.00 O ATOM 912 CB ILE A 63 -20.819 -0.834 4.222 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.991 -1.816 5.067 1.00 0.00 C ATOM 914 CG2 ILE A 63 -20.132 0.513 3.945 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.620 -2.049 4.435 1.00 0.00 C ATOM 0 H ILE A 63 -23.189 -2.238 4.028 1.00 0.00 H new ATOM 0 HA ILE A 63 -21.886 -0.414 5.926 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.942 -1.218 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.870 -1.422 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.522 -2.764 5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -19.179 0.339 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -20.771 1.123 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -19.958 1.033 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.050 -2.747 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.746 -2.464 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.084 -1.102 4.369 1.00 0.00 H new ATOM 927 N ASP A 64 -23.220 1.481 4.760 1.00 0.00 N ATOM 928 CA ASP A 64 -23.921 2.570 4.154 1.00 0.00 C ATOM 929 C ASP A 64 -23.020 3.707 3.812 1.00 0.00 C ATOM 930 O ASP A 64 -21.805 3.547 3.922 1.00 0.00 O ATOM 931 CB ASP A 64 -25.220 2.845 4.930 1.00 0.00 C ATOM 932 CG ASP A 64 -25.010 3.501 6.287 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.025 3.284 7.043 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.900 4.335 6.604 1.00 0.00 O ATOM 0 H ASP A 64 -22.863 1.718 5.685 1.00 0.00 H new ATOM 0 HA ASP A 64 -24.278 2.313 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -25.862 3.485 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -25.751 1.904 5.072 1.00 0.00 H new ATOM 939 N PHE A 65 -23.461 4.847 3.251 1.00 0.00 N ATOM 940 CA PHE A 65 -22.585 5.916 2.885 1.00 0.00 C ATOM 941 C PHE A 65 -21.728 6.582 3.906 1.00 0.00 C ATOM 942 O PHE A 65 -20.524 6.652 3.666 1.00 0.00 O ATOM 943 CB PHE A 65 -23.429 7.013 2.214 1.00 0.00 C ATOM 944 CG PHE A 65 -22.616 7.985 1.429 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.662 7.607 0.514 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.753 9.295 1.823 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.864 8.618 0.031 1.00 0.00 C ATOM 948 CE2 PHE A 65 -22.061 10.294 1.179 1.00 0.00 C ATOM 949 CZ PHE A 65 -21.023 9.946 0.348 1.00 0.00 C ATOM 0 H PHE A 65 -24.444 5.030 3.048 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.856 5.403 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -24.161 6.546 1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.987 7.552 2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.546 6.582 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -23.409 9.542 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.061 8.351 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -22.328 11.331 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.351 10.695 -0.045 1.00 0.00 H new ATOM 959 N PRO A 66 -22.078 6.978 5.094 1.00 0.00 N ATOM 960 CA PRO A 66 -21.180 7.620 6.010 1.00 0.00 C ATOM 961 C PRO A 66 -20.220 6.716 6.702 1.00 0.00 C ATOM 962 O PRO A 66 -19.227 7.256 7.186 1.00 0.00 O ATOM 963 CB PRO A 66 -22.100 8.412 6.936 1.00 0.00 C ATOM 964 CG PRO A 66 -23.396 7.585 6.976 1.00 0.00 C ATOM 965 CD PRO A 66 -23.455 6.981 5.564 1.00 0.00 C ATOM 0 HA PRO A 66 -20.475 8.267 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.666 8.522 7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -22.280 9.417 6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.360 6.814 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -24.266 8.206 7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -23.867 5.972 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -24.094 7.573 4.909 1.00 0.00 H new ATOM 973 N GLU A 67 -20.512 5.403 6.726 1.00 0.00 N ATOM 974 CA GLU A 67 -19.566 4.372 7.021 1.00 0.00 C ATOM 975 C GLU A 67 -18.554 4.134 5.954 1.00 0.00 C ATOM 976 O GLU A 67 -17.368 3.938 6.214 1.00 0.00 O ATOM 977 CB GLU A 67 -20.361 3.096 7.350 1.00 0.00 C ATOM 978 CG GLU A 67 -19.676 1.992 8.158 1.00 0.00 C ATOM 979 CD GLU A 67 -20.392 0.657 8.299 1.00 0.00 C ATOM 980 OE1 GLU A 67 -21.640 0.531 8.417 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.715 -0.403 8.224 1.00 0.00 O ATOM 0 H GLU A 67 -21.447 5.045 6.532 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.967 4.694 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -21.257 3.396 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.691 2.660 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.703 1.802 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.491 2.378 9.160 1.00 0.00 H new ATOM 988 N PHE A 68 -19.009 4.192 4.690 1.00 0.00 N ATOM 989 CA PHE A 68 -18.212 4.103 3.507 1.00 0.00 C ATOM 990 C PHE A 68 -17.226 5.202 3.304 1.00 0.00 C ATOM 991 O PHE A 68 -16.048 4.928 3.077 1.00 0.00 O ATOM 992 CB PHE A 68 -19.145 3.979 2.290 1.00 0.00 C ATOM 993 CG PHE A 68 -18.426 3.647 1.028 1.00 0.00 C ATOM 994 CD1 PHE A 68 -18.050 2.368 0.689 1.00 0.00 C ATOM 995 CD2 PHE A 68 -18.123 4.626 0.112 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.571 2.089 -0.569 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.560 4.368 -1.115 1.00 0.00 C ATOM 998 CZ PHE A 68 -17.285 3.072 -1.486 1.00 0.00 C ATOM 0 H PHE A 68 -20.001 4.309 4.482 1.00 0.00 H new ATOM 0 HA PHE A 68 -17.592 3.215 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.890 3.209 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.684 4.917 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -18.132 1.575 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.339 5.652 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -17.413 1.058 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.334 5.182 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.864 2.838 -2.453 1.00 0.00 H new ATOM 1008 N LEU A 69 -17.711 6.436 3.532 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.935 7.619 3.325 1.00 0.00 C ATOM 1010 C LEU A 69 -15.673 7.655 4.117 1.00 0.00 C ATOM 1011 O LEU A 69 -14.541 7.898 3.701 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.965 8.709 3.665 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.563 10.191 3.595 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.817 11.023 3.279 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.787 10.777 4.787 1.00 0.00 C ATOM 0 H LEU A 69 -18.658 6.615 3.866 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.525 7.725 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.816 8.571 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.320 8.516 4.677 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.821 10.246 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.550 12.078 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -19.233 10.705 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -19.559 10.876 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.572 11.829 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.387 10.686 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.852 10.232 4.915 1.00 0.00 H new ATOM 1027 N THR A 70 -15.714 7.218 5.388 1.00 0.00 N ATOM 1028 CA THR A 70 -14.624 7.292 6.310 1.00 0.00 C ATOM 1029 C THR A 70 -13.593 6.229 6.149 1.00 0.00 C ATOM 1030 O THR A 70 -12.421 6.461 6.442 1.00 0.00 O ATOM 1031 CB THR A 70 -15.148 7.259 7.716 1.00 0.00 C ATOM 1032 OG1 THR A 70 -16.221 6.345 7.892 1.00 0.00 O ATOM 1033 CG2 THR A 70 -15.699 8.636 8.123 1.00 0.00 C ATOM 0 H THR A 70 -16.548 6.792 5.792 1.00 0.00 H new ATOM 0 HA THR A 70 -14.122 8.234 6.090 1.00 0.00 H new ATOM 0 HB THR A 70 -14.298 6.954 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.069 6.795 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.074 8.590 9.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.904 9.379 8.061 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.510 8.916 7.451 1.00 0.00 H new ATOM 1041 N MET A 71 -13.953 5.045 5.622 1.00 0.00 N ATOM 1042 CA MET A 71 -13.101 3.950 5.274 1.00 0.00 C ATOM 1043 C MET A 71 -12.428 4.028 3.948 1.00 0.00 C ATOM 1044 O MET A 71 -11.278 3.608 3.821 1.00 0.00 O ATOM 1045 CB MET A 71 -13.716 2.560 5.506 1.00 0.00 C ATOM 1046 CG MET A 71 -14.322 2.208 6.866 1.00 0.00 C ATOM 1047 SD MET A 71 -13.083 2.038 8.186 1.00 0.00 S ATOM 1048 CE MET A 71 -13.034 3.728 8.850 1.00 0.00 C ATOM 0 H MET A 71 -14.931 4.837 5.422 1.00 0.00 H new ATOM 0 HA MET A 71 -12.301 4.077 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.497 2.422 4.758 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.940 1.823 5.297 1.00 0.00 H new ATOM 0 HG2 MET A 71 -15.038 2.980 7.147 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.878 1.275 6.777 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.297 3.711 9.908 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.030 4.136 8.732 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.746 4.352 8.309 1.00 0.00 H new ATOM 1058 N MET A 72 -13.084 4.762 3.031 1.00 0.00 N ATOM 1059 CA MET A 72 -12.434 5.298 1.876 1.00 0.00 C ATOM 1060 C MET A 72 -11.409 6.312 2.250 1.00 0.00 C ATOM 1061 O MET A 72 -10.286 6.167 1.770 1.00 0.00 O ATOM 1062 CB MET A 72 -13.526 5.839 0.938 1.00 0.00 C ATOM 1063 CG MET A 72 -14.402 4.795 0.243 1.00 0.00 C ATOM 1064 SD MET A 72 -13.477 3.756 -0.927 1.00 0.00 S ATOM 1065 CE MET A 72 -13.675 4.865 -2.351 1.00 0.00 C ATOM 0 H MET A 72 -14.077 4.986 3.092 1.00 0.00 H new ATOM 0 HA MET A 72 -11.874 4.526 1.349 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.174 6.501 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.047 6.449 0.172 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.866 4.159 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.208 5.301 -0.288 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.304 4.373 -3.250 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.730 5.108 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.110 5.781 -2.180 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.644 7.419 2.977 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.652 8.365 3.383 1.00 0.00 C ATOM 1077 C ALA A 73 -9.491 7.728 4.066 1.00 0.00 C ATOM 1078 O ALA A 73 -8.351 8.095 3.783 1.00 0.00 O ATOM 1079 CB ALA A 73 -11.344 9.478 4.189 1.00 0.00 C ATOM 0 H ALA A 73 -12.579 7.667 3.299 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.195 8.824 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.603 10.211 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.093 9.967 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.828 9.046 5.065 1.00 0.00 H new ATOM 1234 N GLU A 83 1.166 16.351 5.250 1.00 0.00 N ATOM 1235 CA GLU A 83 1.240 16.001 6.635 1.00 0.00 C ATOM 1236 C GLU A 83 0.032 16.334 7.440 1.00 0.00 C ATOM 1237 O GLU A 83 0.172 17.010 8.458 1.00 0.00 O ATOM 1238 CB GLU A 83 2.462 16.618 7.336 1.00 0.00 C ATOM 1239 CG GLU A 83 3.809 16.293 6.688 1.00 0.00 C ATOM 1240 CD GLU A 83 5.006 17.117 7.140 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.700 16.902 8.170 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.224 18.119 6.408 1.00 0.00 O ATOM 0 HA GLU A 83 1.325 14.915 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.340 17.701 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.481 16.275 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.031 15.242 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.704 16.410 5.609 1.00 0.00 H new ATOM 1249 N GLU A 84 -1.208 16.028 7.018 1.00 0.00 N ATOM 1250 CA GLU A 84 -2.340 16.333 7.836 1.00 0.00 C ATOM 1251 C GLU A 84 -2.585 15.626 9.125 1.00 0.00 C ATOM 1252 O GLU A 84 -2.517 16.169 10.226 1.00 0.00 O ATOM 1253 CB GLU A 84 -3.562 16.191 6.913 1.00 0.00 C ATOM 1254 CG GLU A 84 -3.334 17.135 5.731 1.00 0.00 C ATOM 1255 CD GLU A 84 -4.361 16.812 4.656 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -4.280 15.751 3.980 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -5.285 17.655 4.503 1.00 0.00 O ATOM 0 H GLU A 84 -1.425 15.578 6.128 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.127 17.328 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.671 15.162 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.479 16.449 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.432 18.173 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.324 17.016 5.339 1.00 0.00 H new ATOM 1264 N ILE A 85 -2.846 14.310 9.036 1.00 0.00 N ATOM 1265 CA ILE A 85 -2.924 13.441 10.170 1.00 0.00 C ATOM 1266 C ILE A 85 -1.631 13.260 10.887 1.00 0.00 C ATOM 1267 O ILE A 85 -1.569 13.000 12.087 1.00 0.00 O ATOM 1268 CB ILE A 85 -3.673 12.199 9.786 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -2.873 11.282 8.846 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -5.065 12.634 9.296 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -3.504 10.857 7.521 1.00 0.00 C ATOM 0 H ILE A 85 -3.008 13.835 8.148 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.511 13.915 10.956 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.819 11.544 10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.932 11.783 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.626 10.376 9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.640 11.754 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.584 13.160 10.097 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.958 13.296 8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.812 10.214 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.428 10.313 7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.723 11.741 6.922 1.00 0.00 H new ATOM 1283 N ARG A 86 -0.477 13.473 10.229 1.00 0.00 N ATOM 1284 CA ARG A 86 0.822 13.604 10.813 1.00 0.00 C ATOM 1285 C ARG A 86 0.999 14.780 11.710 1.00 0.00 C ATOM 1286 O ARG A 86 1.341 14.660 12.885 1.00 0.00 O ATOM 1287 CB ARG A 86 1.920 13.776 9.750 1.00 0.00 C ATOM 1288 CG ARG A 86 2.303 12.481 9.032 1.00 0.00 C ATOM 1289 CD ARG A 86 3.346 11.614 9.740 1.00 0.00 C ATOM 1290 NE ARG A 86 3.457 10.424 8.850 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.654 9.142 9.275 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.750 8.816 10.597 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.764 8.143 8.352 1.00 0.00 N ATOM 0 H ARG A 86 -0.452 13.560 9.213 1.00 0.00 H new ATOM 0 HA ARG A 86 0.908 12.678 11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.584 14.503 9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.809 14.192 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.401 11.887 8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.680 12.734 8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.300 12.132 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.026 11.338 10.745 1.00 0.00 H new ATOM 0 HE ARG A 86 3.380 10.580 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.674 9.543 11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.897 7.845 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.699 8.358 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.911 7.181 8.657 1.00 0.00 H new ATOM 1307 N GLU A 87 0.669 15.988 11.219 1.00 0.00 N ATOM 1308 CA GLU A 87 0.841 17.134 12.057 1.00 0.00 C ATOM 1309 C GLU A 87 -0.233 17.269 13.080 1.00 0.00 C ATOM 1310 O GLU A 87 0.053 17.606 14.227 1.00 0.00 O ATOM 1311 CB GLU A 87 1.001 18.365 11.148 1.00 0.00 C ATOM 1312 CG GLU A 87 1.071 19.704 11.885 1.00 0.00 C ATOM 1313 CD GLU A 87 1.073 20.918 10.967 1.00 0.00 C ATOM 1314 OE1 GLU A 87 0.102 21.203 10.216 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.010 21.744 11.130 1.00 0.00 O ATOM 0 H GLU A 87 0.300 16.169 10.286 1.00 0.00 H new ATOM 0 HA GLU A 87 1.744 17.025 12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.908 18.245 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.165 18.394 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.222 19.777 12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.973 19.723 12.497 1.00 0.00 H new ATOM 1322 N ALA A 88 -1.459 16.736 12.930 1.00 0.00 N ATOM 1323 CA ALA A 88 -2.425 16.617 13.978 1.00 0.00 C ATOM 1324 C ALA A 88 -2.074 15.648 15.054 1.00 0.00 C ATOM 1325 O ALA A 88 -2.320 15.882 16.236 1.00 0.00 O ATOM 1326 CB ALA A 88 -3.662 16.124 13.209 1.00 0.00 C ATOM 0 H ALA A 88 -1.792 16.371 12.037 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.538 17.557 14.519 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.492 15.988 13.903 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.938 16.859 12.453 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.435 15.174 12.725 1.00 0.00 H new ATOM 1332 N PHE A 89 -1.311 14.599 14.698 1.00 0.00 N ATOM 1333 CA PHE A 89 -0.659 13.819 15.703 1.00 0.00 C ATOM 1334 C PHE A 89 0.245 14.555 16.631 1.00 0.00 C ATOM 1335 O PHE A 89 0.007 14.548 17.837 1.00 0.00 O ATOM 1336 CB PHE A 89 0.042 12.642 15.003 1.00 0.00 C ATOM 1337 CG PHE A 89 0.437 11.554 15.941 1.00 0.00 C ATOM 1338 CD1 PHE A 89 1.587 11.667 16.687 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -0.419 10.527 16.261 1.00 0.00 C ATOM 1340 CE1 PHE A 89 1.918 10.754 17.660 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -0.157 9.622 17.262 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.007 9.774 17.979 1.00 0.00 C ATOM 0 H PHE A 89 -1.148 14.296 13.738 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.433 13.469 16.386 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.622 12.233 14.241 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.930 13.010 14.489 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.251 12.499 16.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.337 10.427 15.702 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.872 10.805 18.163 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.844 8.817 17.479 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.209 9.112 18.808 1.00 0.00 H new ATOM 1352 N ARG A 90 1.235 15.238 16.027 1.00 0.00 N ATOM 1353 CA ARG A 90 2.231 16.043 16.663 1.00 0.00 C ATOM 1354 C ARG A 90 1.690 17.182 17.457 1.00 0.00 C ATOM 1355 O ARG A 90 2.286 17.526 18.477 1.00 0.00 O ATOM 1356 CB ARG A 90 3.104 16.646 15.550 1.00 0.00 C ATOM 1357 CG ARG A 90 4.391 17.271 16.091 1.00 0.00 C ATOM 1358 CD ARG A 90 5.480 17.438 15.030 1.00 0.00 C ATOM 1359 NE ARG A 90 6.752 17.931 15.629 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.865 17.768 14.856 1.00 0.00 C ATOM 1361 NH1 ARG A 90 7.826 17.567 13.506 1.00 0.00 N ATOM 1362 NH2 ARG A 90 9.090 17.799 15.458 1.00 0.00 N ATOM 0 H ARG A 90 1.346 15.225 15.013 1.00 0.00 H new ATOM 0 HA ARG A 90 2.768 15.396 17.357 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.356 15.869 14.829 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.533 17.404 15.015 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.160 18.246 16.520 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.775 16.650 16.900 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.656 16.484 14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.141 18.137 14.266 1.00 0.00 H new ATOM 0 HE ARG A 90 6.789 18.361 16.553 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.929 17.532 13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.694 17.452 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.160 17.942 16.466 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.936 17.679 14.900 1.00 0.00 H new ATOM 1376 N VAL A 91 0.483 17.667 17.117 1.00 0.00 N ATOM 1377 CA VAL A 91 -0.315 18.516 17.947 1.00 0.00 C ATOM 1378 C VAL A 91 -0.692 17.956 19.275 1.00 0.00 C ATOM 1379 O VAL A 91 -0.544 18.601 20.313 1.00 0.00 O ATOM 1380 CB VAL A 91 -1.478 19.034 17.155 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -2.739 19.307 17.993 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -1.185 20.133 16.120 1.00 0.00 C ATOM 0 H VAL A 91 0.042 17.458 16.221 1.00 0.00 H new ATOM 0 HA VAL A 91 0.318 19.354 18.239 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.709 18.174 16.526 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.533 19.679 17.345 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.064 18.384 18.472 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.514 20.052 18.756 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.110 20.417 15.619 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.763 21.003 16.623 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.474 19.759 15.384 1.00 0.00 H new ATOM 1392 N PHE A 92 -1.067 16.665 19.298 1.00 0.00 N ATOM 1393 CA PHE A 92 -1.477 15.980 20.484 1.00 0.00 C ATOM 1394 C PHE A 92 -0.371 15.527 21.374 1.00 0.00 C ATOM 1395 O PHE A 92 -0.419 15.667 22.595 1.00 0.00 O ATOM 1396 CB PHE A 92 -2.388 14.773 20.204 1.00 0.00 C ATOM 1397 CG PHE A 92 -3.715 15.263 19.736 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -4.657 15.870 20.533 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -4.087 14.899 18.463 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -5.910 16.144 20.037 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -5.297 15.275 17.929 1.00 0.00 C ATOM 1402 CZ PHE A 92 -6.230 15.899 18.722 1.00 0.00 C ATOM 0 H PHE A 92 -1.085 16.078 18.464 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.032 16.756 21.011 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.937 14.129 19.449 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.505 14.173 21.106 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.412 16.132 21.552 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.412 14.303 17.868 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.659 16.561 20.694 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.514 15.080 16.889 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.190 16.190 18.323 1.00 0.00 H new ATOM 1412 N ASP A 93 0.622 14.872 20.746 1.00 0.00 N ATOM 1413 CA ASP A 93 1.757 14.346 21.438 1.00 0.00 C ATOM 1414 C ASP A 93 2.689 15.440 21.831 1.00 0.00 C ATOM 1415 O ASP A 93 3.551 15.916 21.095 1.00 0.00 O ATOM 1416 CB ASP A 93 2.510 13.377 20.510 1.00 0.00 C ATOM 1417 CG ASP A 93 3.316 12.388 21.339 1.00 0.00 C ATOM 1418 OD1 ASP A 93 2.826 11.847 22.366 1.00 0.00 O ATOM 1419 OD2 ASP A 93 4.446 12.009 20.930 1.00 0.00 O ATOM 0 H ASP A 93 0.637 14.705 19.740 1.00 0.00 H new ATOM 0 HA ASP A 93 1.408 13.832 22.334 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.802 12.842 19.877 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.172 13.935 19.848 1.00 0.00 H new ATOM 1424 N LYS A 94 2.450 15.862 23.086 1.00 0.00 N ATOM 1425 CA LYS A 94 3.107 16.933 23.769 1.00 0.00 C ATOM 1426 C LYS A 94 4.565 16.658 23.903 1.00 0.00 C ATOM 1427 O LYS A 94 5.379 17.346 23.288 1.00 0.00 O ATOM 1428 CB LYS A 94 2.350 17.458 25.000 1.00 0.00 C ATOM 1429 CG LYS A 94 2.913 18.770 25.549 1.00 0.00 C ATOM 1430 CD LYS A 94 2.396 19.018 26.968 1.00 0.00 C ATOM 1431 CE LYS A 94 2.792 20.337 27.634 1.00 0.00 C ATOM 1432 NZ LYS A 94 4.229 20.654 27.484 1.00 0.00 N ATOM 0 H LYS A 94 1.740 15.417 23.668 1.00 0.00 H new ATOM 0 HA LYS A 94 3.066 17.826 23.146 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.302 17.603 24.738 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.380 16.702 25.785 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.002 18.733 25.553 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.625 19.597 24.900 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.308 18.964 26.946 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.743 18.202 27.602 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.201 21.146 27.205 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.545 20.290 28.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.436 21.558 27.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.798 19.899 27.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.464 20.728 26.474 1.00 0.00 H new ATOM 1446 N ASP A 95 4.885 15.557 24.605 1.00 0.00 N ATOM 1447 CA ASP A 95 6.210 15.175 24.983 1.00 0.00 C ATOM 1448 C ASP A 95 7.088 14.818 23.833 1.00 0.00 C ATOM 1449 O ASP A 95 8.260 15.194 23.825 1.00 0.00 O ATOM 1450 CB ASP A 95 6.060 14.122 26.094 1.00 0.00 C ATOM 1451 CG ASP A 95 5.233 12.887 25.767 1.00 0.00 C ATOM 1452 OD1 ASP A 95 5.291 12.461 24.583 1.00 0.00 O ATOM 1453 OD2 ASP A 95 4.484 12.276 26.576 1.00 0.00 O ATOM 0 H ASP A 95 4.178 14.896 24.927 1.00 0.00 H new ATOM 0 HA ASP A 95 6.769 16.019 25.386 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.057 13.794 26.387 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.616 14.607 26.963 1.00 0.00 H new ATOM 1458 N GLY A 96 6.588 14.106 22.808 1.00 0.00 N ATOM 1459 CA GLY A 96 7.233 13.588 21.642 1.00 0.00 C ATOM 1460 C GLY A 96 7.552 12.134 21.702 1.00 0.00 C ATOM 1461 O GLY A 96 8.339 11.624 20.906 1.00 0.00 O ATOM 0 H GLY A 96 5.597 13.864 22.801 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.594 13.771 20.778 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.157 14.142 21.478 1.00 0.00 H new ATOM 1465 N ASN A 97 6.999 11.368 22.659 1.00 0.00 N ATOM 1466 CA ASN A 97 7.235 9.958 22.694 1.00 0.00 C ATOM 1467 C ASN A 97 6.667 9.148 21.579 1.00 0.00 C ATOM 1468 O ASN A 97 7.094 8.000 21.470 1.00 0.00 O ATOM 1469 CB ASN A 97 7.056 9.341 24.091 1.00 0.00 C ATOM 1470 CG ASN A 97 5.639 8.931 24.466 1.00 0.00 C ATOM 1471 OD1 ASN A 97 5.419 7.791 25.175 1.00 0.00 O flip ATOM 1472 ND2 ASN A 97 4.689 9.552 23.995 1.00 0.00 N flip ATOM 0 H ASN A 97 6.395 11.720 23.401 1.00 0.00 H new ATOM 0 HA ASN A 97 8.301 9.892 22.475 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.698 8.463 24.163 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.413 10.058 24.831 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.852 10.407 23.463 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.738 9.213 24.136 1.00 0.00 H new ATOM 1479 N GLY A 98 5.711 9.684 20.800 1.00 0.00 N ATOM 1480 CA GLY A 98 5.131 8.955 19.715 1.00 0.00 C ATOM 1481 C GLY A 98 3.886 8.192 20.012 1.00 0.00 C ATOM 1482 O GLY A 98 3.289 7.545 19.153 1.00 0.00 O ATOM 0 H GLY A 98 5.338 10.626 20.922 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.916 9.657 18.910 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.877 8.256 19.337 1.00 0.00 H new ATOM 1486 N TYR A 99 3.422 8.181 21.274 1.00 0.00 N ATOM 1487 CA TYR A 99 2.318 7.525 21.904 1.00 0.00 C ATOM 1488 C TYR A 99 1.521 8.544 22.644 1.00 0.00 C ATOM 1489 O TYR A 99 2.021 9.112 23.613 1.00 0.00 O ATOM 1490 CB TYR A 99 2.729 6.464 22.938 1.00 0.00 C ATOM 1491 CG TYR A 99 3.647 5.439 22.367 1.00 0.00 C ATOM 1492 CD1 TYR A 99 4.999 5.691 22.353 1.00 0.00 C ATOM 1493 CD2 TYR A 99 3.094 4.425 21.622 1.00 0.00 C ATOM 1494 CE1 TYR A 99 5.855 4.810 21.735 1.00 0.00 C ATOM 1495 CE2 TYR A 99 3.965 3.577 20.978 1.00 0.00 C ATOM 1496 CZ TYR A 99 5.327 3.755 21.029 1.00 0.00 C ATOM 1497 OH TYR A 99 6.021 2.747 20.326 1.00 0.00 O ATOM 0 H TYR A 99 3.918 8.736 21.971 1.00 0.00 H new ATOM 0 HA TYR A 99 1.765 7.030 21.106 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.215 6.953 23.782 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.836 5.973 23.325 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.388 6.580 22.827 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.024 4.300 21.546 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.924 4.945 21.803 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.566 2.746 20.415 1.00 0.00 H new ATOM 0 HH TYR A 99 5.378 2.128 19.921 1.00 0.00 H new ATOM 1507 N ILE A 100 0.258 8.858 22.303 1.00 0.00 N ATOM 1508 CA ILE A 100 -0.654 9.733 22.971 1.00 0.00 C ATOM 1509 C ILE A 100 -1.283 9.015 24.115 1.00 0.00 C ATOM 1510 O ILE A 100 -1.764 7.895 23.949 1.00 0.00 O ATOM 1511 CB ILE A 100 -1.771 10.216 22.093 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -1.356 11.259 21.041 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -2.976 10.810 22.842 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -2.316 11.253 19.853 1.00 0.00 C ATOM 0 H ILE A 100 -0.166 8.453 21.469 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.065 10.594 23.288 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.060 9.285 21.606 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.339 12.250 21.494 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.344 11.049 20.696 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.730 11.130 22.123 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.402 10.055 23.502 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.651 11.666 23.433 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.999 12.000 19.125 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.312 10.268 19.387 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.323 11.487 20.198 1.00 0.00 H new ATOM 1526 N SER A 101 -1.275 9.569 25.340 1.00 0.00 N ATOM 1527 CA SER A 101 -1.947 9.177 26.541 1.00 0.00 C ATOM 1528 C SER A 101 -3.089 10.129 26.632 1.00 0.00 C ATOM 1529 O SER A 101 -3.113 11.248 26.122 1.00 0.00 O ATOM 1530 CB SER A 101 -0.904 9.492 27.627 1.00 0.00 C ATOM 1531 OG SER A 101 -0.489 10.850 27.649 1.00 0.00 O ATOM 0 H SER A 101 -0.719 10.408 25.506 1.00 0.00 H new ATOM 0 HA SER A 101 -2.298 8.147 26.608 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.319 9.233 28.601 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.031 8.858 27.473 1.00 0.00 H new ATOM 0 HG SER A 101 0.171 10.979 28.362 1.00 0.00 H new ATOM 1537 N ALA A 102 -4.070 9.743 27.467 1.00 0.00 N ATOM 1538 CA ALA A 102 -5.204 10.507 27.887 1.00 0.00 C ATOM 1539 C ALA A 102 -4.898 11.918 28.252 1.00 0.00 C ATOM 1540 O ALA A 102 -5.500 12.849 27.719 1.00 0.00 O ATOM 1541 CB ALA A 102 -5.860 9.592 28.935 1.00 0.00 C ATOM 0 H ALA A 102 -4.068 8.812 27.885 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.919 10.734 27.096 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.751 10.076 29.334 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.138 8.647 28.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.156 9.404 29.745 1.00 0.00 H new ATOM 1547 N ALA A 103 -3.916 12.191 29.130 1.00 0.00 N ATOM 1548 CA ALA A 103 -3.761 13.549 29.551 1.00 0.00 C ATOM 1549 C ALA A 103 -3.341 14.512 28.495 1.00 0.00 C ATOM 1550 O ALA A 103 -3.619 15.710 28.526 1.00 0.00 O ATOM 1551 CB ALA A 103 -2.762 13.694 30.711 1.00 0.00 C ATOM 0 H ALA A 103 -3.264 11.516 29.529 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.775 13.806 29.858 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.681 14.744 30.992 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.111 13.115 31.566 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.785 13.326 30.398 1.00 0.00 H new ATOM 1557 N GLU A 104 -2.877 13.965 27.357 1.00 0.00 N ATOM 1558 CA GLU A 104 -2.524 14.649 26.151 1.00 0.00 C ATOM 1559 C GLU A 104 -3.729 14.904 25.312 1.00 0.00 C ATOM 1560 O GLU A 104 -4.036 16.019 24.894 1.00 0.00 O ATOM 1561 CB GLU A 104 -1.387 13.957 25.381 1.00 0.00 C ATOM 1562 CG GLU A 104 -0.155 13.816 26.278 1.00 0.00 C ATOM 1563 CD GLU A 104 0.962 12.950 25.712 1.00 0.00 C ATOM 1564 OE1 GLU A 104 0.752 11.745 25.409 1.00 0.00 O ATOM 1565 OE2 GLU A 104 2.081 13.505 25.543 1.00 0.00 O ATOM 0 H GLU A 104 -2.737 12.958 27.275 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.119 15.620 26.434 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.713 12.974 25.041 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.135 14.535 24.492 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.244 14.810 26.479 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.468 13.398 27.235 1.00 0.00 H new ATOM 1572 N LEU A 105 -4.590 13.881 25.169 1.00 0.00 N ATOM 1573 CA LEU A 105 -5.886 14.124 24.614 1.00 0.00 C ATOM 1574 C LEU A 105 -6.724 15.114 25.348 1.00 0.00 C ATOM 1575 O LEU A 105 -7.327 15.958 24.687 1.00 0.00 O ATOM 1576 CB LEU A 105 -6.662 12.833 24.307 1.00 0.00 C ATOM 1577 CG LEU A 105 -7.981 13.029 23.540 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -7.646 13.422 22.091 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -8.801 11.737 23.389 1.00 0.00 C ATOM 0 H LEU A 105 -4.399 12.913 25.428 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.661 14.607 23.663 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.019 12.170 23.728 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.879 12.326 25.247 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.546 13.771 24.104 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.570 13.566 21.530 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.072 14.349 22.089 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.058 12.630 21.626 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.717 11.950 22.838 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.215 10.996 22.846 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.053 11.348 24.376 1.00 0.00 H new ATOM 1591 N ARG A 106 -6.742 15.226 26.688 1.00 0.00 N ATOM 1592 CA ARG A 106 -7.637 16.106 27.372 1.00 0.00 C ATOM 1593 C ARG A 106 -7.169 17.517 27.267 1.00 0.00 C ATOM 1594 O ARG A 106 -7.911 18.446 26.954 1.00 0.00 O ATOM 1595 CB ARG A 106 -7.793 15.811 28.874 1.00 0.00 C ATOM 1596 CG ARG A 106 -8.983 16.554 29.483 1.00 0.00 C ATOM 1597 CD ARG A 106 -8.900 16.619 31.009 1.00 0.00 C ATOM 1598 NE ARG A 106 -7.809 17.531 31.454 1.00 0.00 N ATOM 1599 CZ ARG A 106 -7.647 18.861 31.195 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -8.730 19.643 30.916 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -6.466 19.479 31.492 1.00 0.00 N ATOM 0 H ARG A 106 -6.126 14.698 27.306 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.598 15.946 26.883 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.921 14.739 29.021 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.880 16.098 29.397 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.024 17.566 29.079 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.908 16.057 29.191 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.852 16.964 31.413 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.727 15.620 31.409 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.085 17.103 32.031 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.664 19.234 30.901 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.605 20.637 30.723 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.702 18.946 31.908 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.348 20.473 31.297 1.00 0.00 H new ATOM 1615 N HIS A 107 -5.869 17.766 27.507 1.00 0.00 N ATOM 1616 CA HIS A 107 -5.216 19.038 27.540 1.00 0.00 C ATOM 1617 C HIS A 107 -5.318 19.696 26.208 1.00 0.00 C ATOM 1618 O HIS A 107 -5.587 20.885 26.045 1.00 0.00 O ATOM 1619 CB HIS A 107 -3.749 18.839 27.958 1.00 0.00 C ATOM 1620 CG HIS A 107 -2.941 20.091 28.128 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -2.993 21.019 29.147 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -1.864 20.409 27.360 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -1.997 21.898 28.854 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -1.283 21.584 27.789 1.00 0.00 N ATOM 0 H HIS A 107 -5.217 17.005 27.695 1.00 0.00 H new ATOM 0 HA HIS A 107 -5.699 19.689 28.269 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -3.731 18.287 28.898 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -3.260 18.213 27.212 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.511 19.820 26.526 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.806 22.781 29.445 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.494 22.087 27.383 1.00 0.00 H new ATOM 1632 N VAL A 108 -5.129 18.997 25.074 1.00 0.00 N ATOM 1633 CA VAL A 108 -5.214 19.552 23.759 1.00 0.00 C ATOM 1634 C VAL A 108 -6.610 19.622 23.244 1.00 0.00 C ATOM 1635 O VAL A 108 -6.864 20.527 22.451 1.00 0.00 O ATOM 1636 CB VAL A 108 -4.272 18.786 22.878 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -4.310 19.361 21.452 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -2.825 18.725 23.396 1.00 0.00 C ATOM 0 H VAL A 108 -4.907 18.001 25.074 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.907 20.598 23.775 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.624 17.754 22.882 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.624 18.802 20.816 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.322 19.281 21.054 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.011 20.409 21.474 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.213 18.153 22.699 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.427 19.736 23.483 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.808 18.243 24.373 1.00 0.00 H new ATOM 1648 N MET A 109 -7.541 18.845 23.827 1.00 0.00 N ATOM 1649 CA MET A 109 -8.925 19.133 23.611 1.00 0.00 C ATOM 1650 C MET A 109 -9.391 20.419 24.202 1.00 0.00 C ATOM 1651 O MET A 109 -10.093 21.212 23.576 1.00 0.00 O ATOM 1652 CB MET A 109 -9.827 17.937 23.962 1.00 0.00 C ATOM 1653 CG MET A 109 -9.801 16.736 23.015 1.00 0.00 C ATOM 1654 SD MET A 109 -10.887 16.845 21.561 1.00 0.00 S ATOM 1655 CE MET A 109 -10.681 15.168 20.893 1.00 0.00 C ATOM 0 H MET A 109 -7.346 18.044 24.428 1.00 0.00 H new ATOM 0 HA MET A 109 -9.020 19.293 22.537 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.552 17.588 24.957 1.00 0.00 H new ATOM 0 HB3 MET A 109 -10.854 18.296 24.023 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.777 16.593 22.669 1.00 0.00 H new ATOM 0 HG3 MET A 109 -10.073 15.846 23.582 1.00 0.00 H new ATOM 0 HE1 MET A 109 -11.524 14.928 20.245 1.00 0.00 H new ATOM 0 HE2 MET A 109 -9.756 15.116 20.319 1.00 0.00 H new ATOM 0 HE3 MET A 109 -10.639 14.452 21.714 1.00 0.00 H new ATOM 1665 N THR A 110 -8.979 20.824 25.416 1.00 0.00 N ATOM 1666 CA THR A 110 -9.447 22.089 25.890 1.00 0.00 C ATOM 1667 C THR A 110 -8.741 23.253 25.284 1.00 0.00 C ATOM 1668 O THR A 110 -9.231 24.374 25.156 1.00 0.00 O ATOM 1669 CB THR A 110 -9.374 22.240 27.381 1.00 0.00 C ATOM 1670 OG1 THR A 110 -8.152 21.732 27.896 1.00 0.00 O ATOM 1671 CG2 THR A 110 -10.540 21.443 27.988 1.00 0.00 C ATOM 0 H THR A 110 -8.357 20.310 26.040 1.00 0.00 H new ATOM 0 HA THR A 110 -10.491 22.093 25.576 1.00 0.00 H new ATOM 0 HB THR A 110 -9.432 23.298 27.637 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.134 21.847 28.869 1.00 0.00 H new ATOM 0 HG21 THR A 110 -10.515 21.532 29.074 1.00 0.00 H new ATOM 0 HG22 THR A 110 -11.484 21.837 27.613 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.448 20.394 27.708 1.00 0.00 H new ATOM 1679 N ASN A 111 -7.548 23.005 24.716 1.00 0.00 N ATOM 1680 CA ASN A 111 -6.758 23.854 23.878 1.00 0.00 C ATOM 1681 C ASN A 111 -7.443 24.247 22.615 1.00 0.00 C ATOM 1682 O ASN A 111 -7.551 25.410 22.229 1.00 0.00 O ATOM 1683 CB ASN A 111 -5.364 23.290 23.555 1.00 0.00 C ATOM 1684 CG ASN A 111 -4.469 24.444 23.124 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -4.821 25.578 22.802 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -3.144 24.145 23.061 1.00 0.00 N ATOM 0 H ASN A 111 -7.087 22.107 24.862 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.622 24.749 24.485 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.945 22.790 24.428 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.430 22.545 22.763 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.476 24.852 22.754 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.818 23.214 23.321 1.00 0.00 H new ATOM 1693 N LEU A 112 -8.113 23.264 21.988 1.00 0.00 N ATOM 1694 CA LEU A 112 -9.063 23.452 20.936 1.00 0.00 C ATOM 1695 C LEU A 112 -10.293 24.159 21.393 1.00 0.00 C ATOM 1696 O LEU A 112 -10.971 24.911 20.695 1.00 0.00 O ATOM 1697 CB LEU A 112 -9.460 22.215 20.113 1.00 0.00 C ATOM 1698 CG LEU A 112 -8.249 21.437 19.571 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -8.653 20.069 18.998 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -7.613 22.184 18.386 1.00 0.00 C ATOM 0 H LEU A 112 -7.984 22.281 22.230 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.495 24.078 20.248 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.063 21.551 20.733 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.087 22.527 19.278 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.569 21.329 20.416 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.767 19.554 18.627 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.119 19.470 19.780 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.359 20.211 18.180 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.758 21.618 18.016 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.348 22.294 17.589 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.282 23.170 18.713 1.00 0.00 H new ATOM 1712 N GLY A 113 -10.712 23.951 22.654 1.00 0.00 N ATOM 1713 CA GLY A 113 -11.925 24.482 23.195 1.00 0.00 C ATOM 1714 C GLY A 113 -12.891 23.364 23.387 1.00 0.00 C ATOM 1715 O GLY A 113 -14.063 23.633 23.646 1.00 0.00 O ATOM 0 H GLY A 113 -10.185 23.391 23.324 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.729 24.980 24.145 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.343 25.231 22.523 1.00 0.00 H new ATOM 1719 N GLU A 114 -12.518 22.117 23.049 1.00 0.00 N ATOM 1720 CA GLU A 114 -13.439 21.055 23.307 1.00 0.00 C ATOM 1721 C GLU A 114 -13.604 20.661 24.735 1.00 0.00 C ATOM 1722 O GLU A 114 -12.629 20.810 25.471 1.00 0.00 O ATOM 1723 CB GLU A 114 -13.273 19.801 22.431 1.00 0.00 C ATOM 1724 CG GLU A 114 -14.326 18.691 22.429 1.00 0.00 C ATOM 1725 CD GLU A 114 -15.678 19.260 22.024 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -16.313 19.966 22.853 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -16.234 18.899 20.953 1.00 0.00 O ATOM 0 H GLU A 114 -11.631 21.852 22.621 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.367 21.541 23.006 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.169 20.143 21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.325 19.340 22.711 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.033 17.901 21.738 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.393 18.240 23.419 1.00 0.00 H new ATOM 1734 N LYS A 115 -14.808 20.412 25.280 1.00 0.00 N ATOM 1735 CA LYS A 115 -15.047 20.276 26.683 1.00 0.00 C ATOM 1736 C LYS A 115 -15.315 18.848 27.011 1.00 0.00 C ATOM 1737 O LYS A 115 -16.464 18.518 27.300 1.00 0.00 O ATOM 1738 CB LYS A 115 -16.230 21.160 27.112 1.00 0.00 C ATOM 1739 CG LYS A 115 -16.077 22.654 26.824 1.00 0.00 C ATOM 1740 CD LYS A 115 -14.882 23.309 27.521 1.00 0.00 C ATOM 1741 CE LYS A 115 -14.830 24.813 27.247 1.00 0.00 C ATOM 1742 NZ LYS A 115 -15.984 25.547 27.813 1.00 0.00 N ATOM 0 H LYS A 115 -15.652 20.301 24.718 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.162 20.603 27.229 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.129 20.802 26.610 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.389 21.029 28.182 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.978 22.797 25.748 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.988 23.167 27.131 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.946 23.136 28.595 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.958 22.843 27.177 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.909 25.220 27.663 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.794 24.979 26.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.804 26.570 27.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.841 25.318 27.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.119 25.270 28.806 1.00 0.00 H new ATOM 1756 N LEU A 116 -14.307 17.960 26.941 1.00 0.00 N ATOM 1757 CA LEU A 116 -14.325 16.635 27.480 1.00 0.00 C ATOM 1758 C LEU A 116 -13.788 16.458 28.859 1.00 0.00 C ATOM 1759 O LEU A 116 -12.610 16.716 29.098 1.00 0.00 O ATOM 1760 CB LEU A 116 -13.682 15.643 26.496 1.00 0.00 C ATOM 1761 CG LEU A 116 -14.382 15.749 25.130 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -13.655 14.969 24.022 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -15.856 15.316 25.208 1.00 0.00 C ATOM 0 H LEU A 116 -13.425 18.182 26.479 1.00 0.00 H new ATOM 0 HA LEU A 116 -15.386 16.417 27.602 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.619 15.858 26.389 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.765 14.627 26.881 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.344 16.805 24.862 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.196 15.082 23.083 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.643 15.358 23.907 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.610 13.913 24.290 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.314 15.406 24.223 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -15.914 14.280 25.542 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.386 15.955 25.914 1.00 0.00 H new ATOM 1775 N THR A 117 -14.549 15.940 29.840 1.00 0.00 N ATOM 1776 CA THR A 117 -13.941 15.462 31.042 1.00 0.00 C ATOM 1777 C THR A 117 -12.951 14.368 30.835 1.00 0.00 C ATOM 1778 O THR A 117 -12.937 13.708 29.797 1.00 0.00 O ATOM 1779 CB THR A 117 -14.921 14.915 32.037 1.00 0.00 C ATOM 1780 OG1 THR A 117 -15.779 13.863 31.621 1.00 0.00 O ATOM 1781 CG2 THR A 117 -15.802 16.107 32.444 1.00 0.00 C ATOM 0 H THR A 117 -15.565 15.853 29.804 1.00 0.00 H new ATOM 0 HA THR A 117 -13.453 16.363 31.415 1.00 0.00 H new ATOM 0 HB THR A 117 -14.323 14.459 32.826 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.171 14.085 30.751 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.544 15.779 33.172 1.00 0.00 H new ATOM 0 HG22 THR A 117 -15.180 16.885 32.885 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.308 16.503 31.563 1.00 0.00 H new ATOM 1789 N ASP A 118 -12.033 14.043 31.764 1.00 0.00 N ATOM 1790 CA ASP A 118 -11.028 13.026 31.749 1.00 0.00 C ATOM 1791 C ASP A 118 -11.597 11.684 31.440 1.00 0.00 C ATOM 1792 O ASP A 118 -10.940 10.866 30.798 1.00 0.00 O ATOM 1793 CB ASP A 118 -10.334 12.977 33.121 1.00 0.00 C ATOM 1794 CG ASP A 118 -9.650 14.284 33.497 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -10.444 15.225 33.766 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -8.391 14.343 33.505 1.00 0.00 O ATOM 0 H ASP A 118 -11.996 14.566 32.639 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.313 13.276 30.965 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -11.071 12.728 33.884 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.595 12.176 33.118 1.00 0.00 H new ATOM 1801 N GLU A 119 -12.833 11.434 31.907 1.00 0.00 N ATOM 1802 CA GLU A 119 -13.587 10.270 31.559 1.00 0.00 C ATOM 1803 C GLU A 119 -14.067 10.095 30.160 1.00 0.00 C ATOM 1804 O GLU A 119 -13.907 9.028 29.568 1.00 0.00 O ATOM 1805 CB GLU A 119 -14.825 10.097 32.455 1.00 0.00 C ATOM 1806 CG GLU A 119 -14.487 10.137 33.947 1.00 0.00 C ATOM 1807 CD GLU A 119 -15.719 10.214 34.838 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -16.422 9.175 34.964 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -16.089 11.313 35.329 1.00 0.00 O ATOM 0 H GLU A 119 -13.323 12.060 32.546 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.813 9.517 31.705 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -15.544 10.884 32.229 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.307 9.148 32.222 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.913 9.248 34.207 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.848 10.998 34.146 1.00 0.00 H new ATOM 1816 N GLU A 120 -14.604 11.208 29.629 1.00 0.00 N ATOM 1817 CA GLU A 120 -14.921 11.349 28.242 1.00 0.00 C ATOM 1818 C GLU A 120 -13.728 11.106 27.383 1.00 0.00 C ATOM 1819 O GLU A 120 -13.755 10.479 26.325 1.00 0.00 O ATOM 1820 CB GLU A 120 -15.622 12.691 27.973 1.00 0.00 C ATOM 1821 CG GLU A 120 -17.058 12.611 28.494 1.00 0.00 C ATOM 1822 CD GLU A 120 -17.637 14.001 28.714 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -17.086 14.854 29.460 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -18.706 14.307 28.121 1.00 0.00 O ATOM 0 H GLU A 120 -14.825 12.036 30.182 1.00 0.00 H new ATOM 0 HA GLU A 120 -15.638 10.576 27.965 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -15.086 13.502 28.466 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -15.620 12.911 26.905 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -17.677 12.064 27.783 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -17.078 12.052 29.430 1.00 0.00 H new ATOM 1831 N VAL A 121 -12.561 11.655 27.762 1.00 0.00 N ATOM 1832 CA VAL A 121 -11.262 11.460 27.197 1.00 0.00 C ATOM 1833 C VAL A 121 -10.754 10.064 27.317 1.00 0.00 C ATOM 1834 O VAL A 121 -10.251 9.584 26.302 1.00 0.00 O ATOM 1835 CB VAL A 121 -10.223 12.308 27.868 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -8.800 12.250 27.288 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -10.576 13.717 27.361 1.00 0.00 C ATOM 0 H VAL A 121 -12.527 12.304 28.548 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.404 11.726 26.150 1.00 0.00 H new ATOM 0 HB VAL A 121 -10.226 12.023 28.920 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.146 12.907 27.862 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.426 11.228 27.343 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -8.818 12.574 26.248 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.880 14.441 27.785 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.506 13.740 26.273 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.592 13.969 27.665 1.00 0.00 H new ATOM 1847 N ASP A 122 -10.785 9.392 28.482 1.00 0.00 N ATOM 1848 CA ASP A 122 -10.369 8.053 28.763 1.00 0.00 C ATOM 1849 C ASP A 122 -11.078 7.111 27.852 1.00 0.00 C ATOM 1850 O ASP A 122 -10.494 6.132 27.389 1.00 0.00 O ATOM 1851 CB ASP A 122 -10.747 7.745 30.222 1.00 0.00 C ATOM 1852 CG ASP A 122 -10.097 6.479 30.761 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -8.872 6.210 30.645 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -10.978 5.781 31.330 1.00 0.00 O ATOM 0 H ASP A 122 -11.144 9.844 29.323 1.00 0.00 H new ATOM 0 HA ASP A 122 -9.295 7.943 28.614 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -10.459 8.588 30.850 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -11.830 7.648 30.296 1.00 0.00 H new ATOM 1859 N GLU A 123 -12.375 7.278 27.536 1.00 0.00 N ATOM 1860 CA GLU A 123 -13.199 6.557 26.616 1.00 0.00 C ATOM 1861 C GLU A 123 -12.684 6.615 25.220 1.00 0.00 C ATOM 1862 O GLU A 123 -12.556 5.579 24.569 1.00 0.00 O ATOM 1863 CB GLU A 123 -14.652 7.054 26.527 1.00 0.00 C ATOM 1864 CG GLU A 123 -15.620 6.017 25.954 1.00 0.00 C ATOM 1865 CD GLU A 123 -17.044 6.397 26.335 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -17.258 6.606 27.559 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -17.948 6.550 25.471 1.00 0.00 O ATOM 0 H GLU A 123 -12.912 8.018 27.988 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.173 5.548 27.026 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -14.990 7.343 27.522 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -14.683 7.950 25.907 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -15.521 5.970 24.869 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -15.380 5.026 26.339 1.00 0.00 H new ATOM 1874 N MET A 124 -12.324 7.793 24.678 1.00 0.00 N ATOM 1875 CA MET A 124 -11.762 7.826 23.364 1.00 0.00 C ATOM 1876 C MET A 124 -10.549 6.969 23.245 1.00 0.00 C ATOM 1877 O MET A 124 -10.390 6.240 22.267 1.00 0.00 O ATOM 1878 CB MET A 124 -11.457 9.292 23.012 1.00 0.00 C ATOM 1879 CG MET A 124 -12.723 10.138 23.167 1.00 0.00 C ATOM 1880 SD MET A 124 -12.564 11.845 22.562 1.00 0.00 S ATOM 1881 CE MET A 124 -12.413 11.545 20.777 1.00 0.00 C ATOM 0 H MET A 124 -12.418 8.700 25.135 1.00 0.00 H new ATOM 0 HA MET A 124 -12.481 7.414 22.655 1.00 0.00 H new ATOM 0 HB2 MET A 124 -10.671 9.675 23.662 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.086 9.360 21.989 1.00 0.00 H new ATOM 0 HG2 MET A 124 -13.539 9.651 22.633 1.00 0.00 H new ATOM 0 HG3 MET A 124 -13.002 10.163 24.220 1.00 0.00 H new ATOM 0 HE1 MET A 124 -12.591 12.474 20.236 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.410 11.181 20.553 1.00 0.00 H new ATOM 0 HE3 MET A 124 -13.147 10.800 20.470 1.00 0.00 H new ATOM 1891 N ILE A 125 -9.618 7.085 24.209 1.00 0.00 N ATOM 1892 CA ILE A 125 -8.329 6.470 24.288 1.00 0.00 C ATOM 1893 C ILE A 125 -8.479 4.996 24.448 1.00 0.00 C ATOM 1894 O ILE A 125 -7.897 4.329 23.594 1.00 0.00 O ATOM 1895 CB ILE A 125 -7.516 6.924 25.464 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -7.161 8.411 25.297 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -6.213 6.142 25.704 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -5.984 8.892 24.449 1.00 0.00 C ATOM 0 H ILE A 125 -9.791 7.676 25.022 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.822 6.753 23.366 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.148 6.740 26.333 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.050 8.899 24.899 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.003 8.807 26.300 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.700 6.548 26.576 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.446 5.091 25.877 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.568 6.232 24.830 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.932 9.980 24.482 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.058 8.473 24.841 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -6.122 8.567 23.418 1.00 0.00 H new ATOM 1910 N ARG A 126 -9.277 4.512 25.416 1.00 0.00 N ATOM 1911 CA ARG A 126 -9.723 3.174 25.653 1.00 0.00 C ATOM 1912 C ARG A 126 -10.250 2.463 24.454 1.00 0.00 C ATOM 1913 O ARG A 126 -10.115 1.248 24.322 1.00 0.00 O ATOM 1914 CB ARG A 126 -10.817 3.094 26.730 1.00 0.00 C ATOM 1915 CG ARG A 126 -10.123 2.786 28.058 1.00 0.00 C ATOM 1916 CD ARG A 126 -10.944 2.440 29.303 1.00 0.00 C ATOM 1917 NE ARG A 126 -11.580 3.679 29.834 1.00 0.00 N ATOM 1918 CZ ARG A 126 -12.920 3.885 29.682 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -13.809 3.046 29.074 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -13.498 5.024 30.166 1.00 0.00 N ATOM 0 H ARG A 126 -9.656 5.144 26.121 1.00 0.00 H new ATOM 0 HA ARG A 126 -8.808 2.680 25.981 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -11.366 4.034 26.792 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -11.542 2.317 26.485 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -9.443 1.953 27.880 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -9.509 3.651 28.308 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -11.708 1.703 29.056 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -10.303 1.992 30.062 1.00 0.00 H new ATOM 0 HE ARG A 126 -11.011 4.376 30.313 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -13.488 2.163 28.677 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -14.795 3.302 29.017 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -12.928 5.723 30.642 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -14.500 5.176 30.051 1.00 0.00 H new ATOM 1934 N GLU A 127 -10.883 3.213 23.534 1.00 0.00 N ATOM 1935 CA GLU A 127 -11.393 2.619 22.337 1.00 0.00 C ATOM 1936 C GLU A 127 -10.518 2.785 21.143 1.00 0.00 C ATOM 1937 O GLU A 127 -10.479 1.925 20.264 1.00 0.00 O ATOM 1938 CB GLU A 127 -12.845 3.065 22.094 1.00 0.00 C ATOM 1939 CG GLU A 127 -13.862 2.566 23.123 1.00 0.00 C ATOM 1940 CD GLU A 127 -14.363 1.154 22.856 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -13.655 0.115 22.934 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -15.570 1.071 22.503 1.00 0.00 O ATOM 0 H GLU A 127 -11.040 4.217 23.616 1.00 0.00 H new ATOM 0 HA GLU A 127 -11.393 1.541 22.499 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.875 4.154 22.076 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.153 2.721 21.107 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.409 2.600 24.114 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -14.713 3.247 23.139 1.00 0.00 H new ATOM 1949 N ALA A 128 -9.687 3.835 21.016 1.00 0.00 N ATOM 1950 CA ALA A 128 -8.658 4.071 20.051 1.00 0.00 C ATOM 1951 C ALA A 128 -7.606 3.037 20.262 1.00 0.00 C ATOM 1952 O ALA A 128 -7.082 2.497 19.289 1.00 0.00 O ATOM 1953 CB ALA A 128 -8.055 5.473 20.240 1.00 0.00 C ATOM 0 H ALA A 128 -9.748 4.612 21.674 1.00 0.00 H new ATOM 0 HA ALA A 128 -9.065 4.014 19.041 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.274 5.636 19.498 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.835 6.224 20.117 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.628 5.554 21.240 1.00 0.00 H new ATOM 1959 N ASP A 129 -7.137 2.798 21.500 1.00 0.00 N ATOM 1960 CA ASP A 129 -6.160 1.786 21.760 1.00 0.00 C ATOM 1961 C ASP A 129 -6.510 0.407 21.319 1.00 0.00 C ATOM 1962 O ASP A 129 -7.546 -0.168 21.650 1.00 0.00 O ATOM 1963 CB ASP A 129 -5.859 1.689 23.265 1.00 0.00 C ATOM 1964 CG ASP A 129 -4.654 0.883 23.730 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -3.734 0.613 22.913 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -4.658 0.431 24.906 1.00 0.00 O ATOM 0 H ASP A 129 -7.438 3.311 22.328 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.307 2.118 21.168 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.740 2.705 23.642 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.741 1.270 23.750 1.00 0.00 H new ATOM 1971 N ILE A 130 -5.634 -0.185 20.487 1.00 0.00 N ATOM 1972 CA ILE A 130 -5.786 -1.533 20.037 1.00 0.00 C ATOM 1973 C ILE A 130 -5.079 -2.522 20.900 1.00 0.00 C ATOM 1974 O ILE A 130 -5.714 -3.448 21.400 1.00 0.00 O ATOM 1975 CB ILE A 130 -5.460 -1.592 18.574 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -6.674 -0.956 17.876 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.962 -2.915 17.967 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -6.628 -0.813 16.356 1.00 0.00 C ATOM 0 H ILE A 130 -4.805 0.282 20.120 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.825 -1.846 20.143 1.00 0.00 H new ATOM 0 HB ILE A 130 -4.535 -1.041 18.402 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -7.554 -1.547 18.130 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -6.823 0.036 18.301 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -4.775 -2.779 16.902 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -4.039 -3.218 18.462 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -5.719 -3.687 18.107 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -7.550 -0.349 16.006 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -5.779 -0.190 16.075 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -6.522 -1.798 15.901 1.00 0.00 H new ATOM 1990 N ASP A 131 -3.760 -2.408 21.136 1.00 0.00 N ATOM 1991 CA ASP A 131 -2.905 -3.378 21.746 1.00 0.00 C ATOM 1992 C ASP A 131 -2.771 -3.195 23.218 1.00 0.00 C ATOM 1993 O ASP A 131 -1.778 -3.496 23.880 1.00 0.00 O ATOM 1994 CB ASP A 131 -1.519 -3.550 21.101 1.00 0.00 C ATOM 1995 CG ASP A 131 -0.852 -2.302 20.541 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -1.277 -1.209 21.002 1.00 0.00 O ATOM 1997 OD2 ASP A 131 0.230 -2.475 19.918 1.00 0.00 O ATOM 0 H ASP A 131 -3.250 -1.564 20.877 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.436 -4.310 21.553 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.852 -3.984 21.845 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -1.610 -4.276 20.293 1.00 0.00 H new ATOM 2002 N GLY A 132 -3.818 -2.670 23.879 1.00 0.00 N ATOM 2003 CA GLY A 132 -3.965 -2.822 25.294 1.00 0.00 C ATOM 2004 C GLY A 132 -3.158 -1.997 26.235 1.00 0.00 C ATOM 2005 O GLY A 132 -3.220 -2.066 27.462 1.00 0.00 O ATOM 0 H GLY A 132 -4.565 -2.139 23.432 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.014 -2.642 25.529 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -3.761 -3.867 25.527 1.00 0.00 H new ATOM 2009 N ASP A 133 -2.152 -1.273 25.712 1.00 0.00 N ATOM 2010 CA ASP A 133 -1.184 -0.606 26.526 1.00 0.00 C ATOM 2011 C ASP A 133 -1.669 0.571 27.300 1.00 0.00 C ATOM 2012 O ASP A 133 -1.185 1.034 28.331 1.00 0.00 O ATOM 2013 CB ASP A 133 0.094 -0.476 25.680 1.00 0.00 C ATOM 2014 CG ASP A 133 -0.035 0.683 24.703 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -0.904 0.704 23.791 1.00 0.00 O ATOM 2016 OD2 ASP A 133 0.703 1.682 24.916 1.00 0.00 O ATOM 0 H ASP A 133 -2.009 -1.149 24.710 1.00 0.00 H new ATOM 0 HA ASP A 133 -0.933 -1.203 27.403 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.954 -0.318 26.330 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.273 -1.402 25.134 1.00 0.00 H new ATOM 2021 N GLY A 134 -2.742 1.235 26.832 1.00 0.00 N ATOM 2022 CA GLY A 134 -3.305 2.418 27.403 1.00 0.00 C ATOM 2023 C GLY A 134 -3.090 3.665 26.617 1.00 0.00 C ATOM 2024 O GLY A 134 -3.502 4.734 27.066 1.00 0.00 O ATOM 0 H GLY A 134 -3.247 0.924 26.002 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.377 2.267 27.529 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.884 2.558 28.399 1.00 0.00 H new ATOM 2028 N GLN A 135 -2.298 3.625 25.532 1.00 0.00 N ATOM 2029 CA GLN A 135 -1.800 4.671 24.693 1.00 0.00 C ATOM 2030 C GLN A 135 -2.134 4.466 23.256 1.00 0.00 C ATOM 2031 O GLN A 135 -2.361 3.373 22.738 1.00 0.00 O ATOM 2032 CB GLN A 135 -0.289 4.844 24.922 1.00 0.00 C ATOM 2033 CG GLN A 135 -0.020 5.541 26.258 1.00 0.00 C ATOM 2034 CD GLN A 135 1.423 6.022 26.310 1.00 0.00 C ATOM 2035 OE1 GLN A 135 1.684 7.149 25.895 1.00 0.00 O ATOM 2036 NE2 GLN A 135 2.378 5.160 26.753 1.00 0.00 N ATOM 0 H GLN A 135 -1.960 2.722 25.199 1.00 0.00 H new ATOM 0 HA GLN A 135 -2.302 5.597 24.974 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.200 3.870 24.910 1.00 0.00 H new ATOM 0 HB3 GLN A 135 0.143 5.427 24.109 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -0.699 6.385 26.381 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -0.213 4.854 27.082 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.113 4.234 27.089 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.359 5.440 26.750 1.00 0.00 H new ATOM 2045 N VAL A 136 -2.325 5.618 22.588 1.00 0.00 N ATOM 2046 CA VAL A 136 -2.872 5.702 21.270 1.00 0.00 C ATOM 2047 C VAL A 136 -1.710 6.067 20.412 1.00 0.00 C ATOM 2048 O VAL A 136 -1.326 7.234 20.351 1.00 0.00 O ATOM 2049 CB VAL A 136 -3.974 6.689 21.018 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -4.387 6.857 19.546 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -5.195 6.274 21.856 1.00 0.00 C ATOM 0 H VAL A 136 -2.088 6.528 22.983 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.357 4.747 21.068 1.00 0.00 H new ATOM 0 HB VAL A 136 -3.583 7.664 21.309 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.189 7.592 19.475 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.530 7.197 18.964 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.735 5.901 19.154 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.009 6.979 21.687 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -5.515 5.274 21.563 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.928 6.274 22.913 1.00 0.00 H new ATOM 2061 N ASN A 137 -1.212 5.162 19.551 1.00 0.00 N ATOM 2062 CA ASN A 137 -0.184 5.427 18.593 1.00 0.00 C ATOM 2063 C ASN A 137 -0.567 6.090 17.315 1.00 0.00 C ATOM 2064 O ASN A 137 -1.716 6.509 17.181 1.00 0.00 O ATOM 2065 CB ASN A 137 0.659 4.143 18.503 1.00 0.00 C ATOM 2066 CG ASN A 137 0.407 3.015 17.512 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -0.107 3.237 16.417 1.00 0.00 O ATOM 2068 ND2 ASN A 137 0.718 1.747 17.894 1.00 0.00 N ATOM 0 H ASN A 137 -1.543 4.198 19.522 1.00 0.00 H new ATOM 0 HA ASN A 137 0.432 6.254 18.947 1.00 0.00 H new ATOM 0 HB2 ASN A 137 1.686 4.467 18.337 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.624 3.689 19.493 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.525 0.964 17.269 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.144 1.579 18.805 1.00 0.00 H new ATOM 2075 N TYR A 138 0.258 6.151 16.254 1.00 0.00 N ATOM 2076 CA TYR A 138 -0.113 6.851 15.064 1.00 0.00 C ATOM 2077 C TYR A 138 -1.236 6.228 14.309 1.00 0.00 C ATOM 2078 O TYR A 138 -2.046 6.920 13.695 1.00 0.00 O ATOM 2079 CB TYR A 138 1.233 6.985 14.333 1.00 0.00 C ATOM 2080 CG TYR A 138 1.018 7.727 13.059 1.00 0.00 C ATOM 2081 CD1 TYR A 138 0.674 9.058 13.064 1.00 0.00 C ATOM 2082 CD2 TYR A 138 0.953 7.069 11.853 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.108 9.667 11.969 1.00 0.00 C ATOM 2084 CE2 TYR A 138 0.525 7.688 10.702 1.00 0.00 C ATOM 2085 CZ TYR A 138 0.079 8.987 10.775 1.00 0.00 C ATOM 2086 OH TYR A 138 -0.287 9.621 9.568 1.00 0.00 O ATOM 0 H TYR A 138 1.180 5.716 16.220 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.566 7.826 15.242 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.952 7.513 14.960 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.651 5.999 14.129 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.854 9.642 13.954 1.00 0.00 H new ATOM 0 HD2 TYR A 138 1.248 6.031 11.808 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -0.306 10.661 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 138 0.539 7.164 9.758 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.245 8.974 8.833 1.00 0.00 H new ATOM 2096 N GLU A 139 -1.322 4.890 14.200 1.00 0.00 N ATOM 2097 CA GLU A 139 -2.211 4.195 13.321 1.00 0.00 C ATOM 2098 C GLU A 139 -3.502 4.154 14.063 1.00 0.00 C ATOM 2099 O GLU A 139 -4.550 4.183 13.420 1.00 0.00 O ATOM 2100 CB GLU A 139 -1.610 2.828 12.952 1.00 0.00 C ATOM 2101 CG GLU A 139 -2.143 1.598 13.689 1.00 0.00 C ATOM 2102 CD GLU A 139 -1.587 0.224 13.346 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -0.445 -0.040 13.810 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -2.133 -0.555 12.520 1.00 0.00 O ATOM 0 H GLU A 139 -0.741 4.261 14.754 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.372 4.672 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.762 2.672 11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.534 2.878 13.117 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.982 1.760 14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.221 1.564 13.531 1.00 0.00 H new ATOM 2111 N GLU A 140 -3.470 4.239 15.405 1.00 0.00 N ATOM 2112 CA GLU A 140 -4.489 4.175 16.407 1.00 0.00 C ATOM 2113 C GLU A 140 -5.127 5.518 16.504 1.00 0.00 C ATOM 2114 O GLU A 140 -6.331 5.733 16.629 1.00 0.00 O ATOM 2115 CB GLU A 140 -3.991 3.668 17.770 1.00 0.00 C ATOM 2116 CG GLU A 140 -3.219 2.347 17.719 1.00 0.00 C ATOM 2117 CD GLU A 140 -2.759 1.908 19.101 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -2.172 2.735 19.849 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -3.028 0.775 19.583 1.00 0.00 O ATOM 0 H GLU A 140 -2.566 4.377 15.857 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.224 3.430 16.103 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.351 4.430 18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.848 3.547 18.432 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.851 1.573 17.283 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.353 2.457 17.066 1.00 0.00 H new ATOM 2126 N PHE A 141 -4.350 6.599 16.311 1.00 0.00 N ATOM 2127 CA PHE A 141 -4.807 7.941 16.119 1.00 0.00 C ATOM 2128 C PHE A 141 -5.709 8.046 14.939 1.00 0.00 C ATOM 2129 O PHE A 141 -6.828 8.529 15.106 1.00 0.00 O ATOM 2130 CB PHE A 141 -3.615 8.913 16.116 1.00 0.00 C ATOM 2131 CG PHE A 141 -4.023 10.338 15.964 1.00 0.00 C ATOM 2132 CD1 PHE A 141 -4.640 11.009 16.993 1.00 0.00 C ATOM 2133 CD2 PHE A 141 -3.912 10.893 14.711 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -5.132 12.278 16.796 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -4.229 12.217 14.517 1.00 0.00 C ATOM 2136 CZ PHE A 141 -4.875 12.832 15.564 1.00 0.00 C ATOM 0 H PHE A 141 -3.333 6.530 16.288 1.00 0.00 H new ATOM 0 HA PHE A 141 -5.430 8.241 16.961 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.058 8.798 17.046 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -2.939 8.646 15.304 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -4.739 10.538 17.960 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.576 10.290 13.880 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -5.685 12.805 17.560 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.987 12.739 13.603 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.212 13.845 15.403 1.00 0.00 H new ATOM 2146 N VAL A 142 -5.355 7.610 13.717 1.00 0.00 N ATOM 2147 CA VAL A 142 -6.200 7.550 12.565 1.00 0.00 C ATOM 2148 C VAL A 142 -7.509 6.898 12.846 1.00 0.00 C ATOM 2149 O VAL A 142 -8.600 7.334 12.482 1.00 0.00 O ATOM 2150 CB VAL A 142 -5.519 6.874 11.411 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -6.444 6.179 10.399 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -4.548 7.852 10.728 1.00 0.00 C ATOM 0 H VAL A 142 -4.411 7.276 13.521 1.00 0.00 H new ATOM 0 HA VAL A 142 -6.403 8.585 12.289 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.964 6.044 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.844 5.726 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -7.022 5.406 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -7.123 6.912 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.058 7.354 9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.101 8.717 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.796 8.179 11.446 1.00 0.00 H new ATOM 2162 N GLN A 143 -7.486 5.788 13.606 1.00 0.00 N ATOM 2163 CA GLN A 143 -8.584 4.946 13.968 1.00 0.00 C ATOM 2164 C GLN A 143 -9.561 5.632 14.861 1.00 0.00 C ATOM 2165 O GLN A 143 -10.743 5.296 14.809 1.00 0.00 O ATOM 2166 CB GLN A 143 -8.071 3.643 14.603 1.00 0.00 C ATOM 2167 CG GLN A 143 -7.373 2.705 13.616 1.00 0.00 C ATOM 2168 CD GLN A 143 -8.341 1.821 12.843 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -8.505 2.030 11.642 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -9.079 0.941 13.571 1.00 0.00 N ATOM 0 H GLN A 143 -6.611 5.449 14.005 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.122 4.703 13.052 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.377 3.891 15.406 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.910 3.117 15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.790 3.298 12.911 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.670 2.074 14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.889 0.816 14.565 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -9.822 0.405 13.123 1.00 0.00 H new ATOM 2179 N MET A 144 -9.111 6.595 15.685 1.00 0.00 N ATOM 2180 CA MET A 144 -9.841 7.529 16.485 1.00 0.00 C ATOM 2181 C MET A 144 -10.410 8.672 15.716 1.00 0.00 C ATOM 2182 O MET A 144 -11.516 9.159 15.945 1.00 0.00 O ATOM 2183 CB MET A 144 -9.010 8.157 17.616 1.00 0.00 C ATOM 2184 CG MET A 144 -9.811 8.918 18.675 1.00 0.00 C ATOM 2185 SD MET A 144 -8.815 9.575 20.047 1.00 0.00 S ATOM 2186 CE MET A 144 -8.507 11.071 19.066 1.00 0.00 C ATOM 0 H MET A 144 -8.107 6.732 15.802 1.00 0.00 H new ATOM 0 HA MET A 144 -10.639 6.906 16.890 1.00 0.00 H new ATOM 0 HB2 MET A 144 -8.445 7.367 18.111 1.00 0.00 H new ATOM 0 HB3 MET A 144 -8.284 8.839 17.174 1.00 0.00 H new ATOM 0 HG2 MET A 144 -10.333 9.745 18.193 1.00 0.00 H new ATOM 0 HG3 MET A 144 -10.574 8.254 19.082 1.00 0.00 H new ATOM 0 HE1 MET A 144 -7.865 11.749 19.628 1.00 0.00 H new ATOM 0 HE2 MET A 144 -8.017 10.799 18.131 1.00 0.00 H new ATOM 0 HE3 MET A 144 -9.454 11.565 18.849 1.00 0.00 H new ATOM 2196 N MET A 145 -9.744 9.145 14.647 1.00 0.00 N ATOM 2197 CA MET A 145 -10.219 10.040 13.639 1.00 0.00 C ATOM 2198 C MET A 145 -11.267 9.483 12.739 1.00 0.00 C ATOM 2199 O MET A 145 -12.159 10.230 12.341 1.00 0.00 O ATOM 2200 CB MET A 145 -9.068 10.716 12.874 1.00 0.00 C ATOM 2201 CG MET A 145 -8.371 11.746 13.764 1.00 0.00 C ATOM 2202 SD MET A 145 -7.104 12.597 12.775 1.00 0.00 S ATOM 2203 CE MET A 145 -8.142 13.963 12.178 1.00 0.00 C ATOM 0 H MET A 145 -8.777 8.871 14.475 1.00 0.00 H new ATOM 0 HA MET A 145 -10.743 10.820 14.190 1.00 0.00 H new ATOM 0 HB2 MET A 145 -8.350 9.965 12.545 1.00 0.00 H new ATOM 0 HB3 MET A 145 -9.454 11.202 11.978 1.00 0.00 H new ATOM 0 HG2 MET A 145 -9.094 12.463 14.152 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.915 11.257 14.625 1.00 0.00 H new ATOM 0 HE1 MET A 145 -7.549 14.618 11.540 1.00 0.00 H new ATOM 0 HE2 MET A 145 -8.979 13.561 11.607 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.521 14.530 13.028 1.00 0.00 H new