USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 Single : A 1 GLY N :NH3+ -108:sc= 0.163 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -153:sc= 0 (180deg=-0.00248) USER MOD Single : A 4 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.57) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -150:sc= 0 USER MOD Single : A 18 MET CE :methyl -151:sc= -0.0126 (180deg=-0.463) USER MOD Single : A 19 GLN : amide:sc= -0.621 X(o=-0.62,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 148:sc=-0.00472 (180deg=-0.587) USER MOD Single : A 46 SER OG : rot 158:sc= -0.0248 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 89:sc= 0.527 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -80:sc= 0.342 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 66 SER OG : rot -150:sc= 0 USER MOD Single : A 74 THR OG1 : rot 28:sc= 0.172 USER MOD Single : A 76 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.062) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 88 SER OG : rot 180:sc= 0.065 USER MOD Single : A 89 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.38) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00913) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0352 F(o=-0.58,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.683 20.792 -14.140 1.00 42.42 N ATOM 2 CA GLY A 1 -15.574 19.883 -13.833 1.00 3.11 C ATOM 3 C GLY A 1 -15.801 19.274 -12.466 1.00 13.40 C ATOM 4 O GLY A 1 -16.598 19.802 -11.691 1.00 52.32 O ATOM 0 H1 GLY A 1 -17.288 20.367 -14.872 1.00 42.42 H new ATOM 0 H2 GLY A 1 -17.244 20.958 -13.280 1.00 42.42 H new ATOM 0 H3 GLY A 1 -16.305 21.697 -14.486 1.00 42.42 H new ATOM 0 HA2 GLY A 1 -15.509 19.100 -14.588 1.00 3.11 H new ATOM 0 HA3 GLY A 1 -14.628 20.424 -13.852 1.00 3.11 H new ATOM 8 N HIS A 2 -15.104 18.183 -12.162 1.00 22.53 N ATOM 9 CA HIS A 2 -15.243 17.426 -10.918 1.00 34.40 C ATOM 10 C HIS A 2 -13.885 17.094 -10.281 1.00 33.44 C ATOM 11 O HIS A 2 -13.812 16.322 -9.327 1.00 21.22 O ATOM 12 CB HIS A 2 -16.119 16.193 -11.176 1.00 22.31 C ATOM 13 CG HIS A 2 -15.876 15.472 -12.478 1.00 53.05 C ATOM 14 ND1 HIS A 2 -14.804 14.665 -12.775 1.00 4.44 N ATOM 15 CD2 HIS A 2 -16.716 15.452 -13.557 1.00 31.34 C ATOM 16 CE1 HIS A 2 -15.014 14.127 -13.985 1.00 30.13 C ATOM 17 NE2 HIS A 2 -16.181 14.561 -14.496 1.00 65.44 N ATOM 0 H HIS A 2 -14.406 17.788 -12.792 1.00 22.53 H new ATOM 0 HA HIS A 2 -15.746 18.044 -10.174 1.00 34.40 H new ATOM 0 HB2 HIS A 2 -15.969 15.487 -10.359 1.00 22.31 H new ATOM 0 HB3 HIS A 2 -17.164 16.501 -11.143 1.00 22.31 H new ATOM 0 HD2 HIS A 2 -17.628 16.021 -13.666 1.00 31.34 H new ATOM 0 HE1 HIS A 2 -14.342 13.442 -14.480 1.00 30.13 H new ATOM 0 HE2 HIS A 2 -16.594 14.294 -15.390 1.00 65.44 H new ATOM 24 N MET A 3 -12.810 17.702 -10.789 1.00 10.34 N ATOM 25 CA MET A 3 -11.434 17.496 -10.366 1.00 50.43 C ATOM 26 C MET A 3 -11.298 17.706 -8.856 1.00 51.44 C ATOM 27 O MET A 3 -11.556 18.814 -8.373 1.00 1.42 O ATOM 28 CB MET A 3 -10.503 18.450 -11.136 1.00 70.23 C ATOM 29 CG MET A 3 -10.744 18.483 -12.651 1.00 2.12 C ATOM 30 SD MET A 3 -11.875 19.799 -13.196 1.00 41.11 S ATOM 31 CE MET A 3 -10.742 21.212 -13.123 1.00 64.31 C ATOM 0 H MET A 3 -12.886 18.384 -11.544 1.00 10.34 H new ATOM 0 HA MET A 3 -11.145 16.469 -10.589 1.00 50.43 H new ATOM 0 HB2 MET A 3 -10.626 19.458 -10.739 1.00 70.23 H new ATOM 0 HB3 MET A 3 -9.469 18.158 -10.951 1.00 70.23 H new ATOM 0 HG2 MET A 3 -9.787 18.609 -13.157 1.00 2.12 H new ATOM 0 HG3 MET A 3 -11.147 17.520 -12.965 1.00 2.12 H new ATOM 0 HE1 MET A 3 -11.311 22.126 -12.949 1.00 64.31 H new ATOM 0 HE2 MET A 3 -10.031 21.067 -12.309 1.00 64.31 H new ATOM 0 HE3 MET A 3 -10.202 21.294 -14.066 1.00 64.31 H new ATOM 39 N ASN A 4 -10.859 16.690 -8.110 1.00 33.42 N ATOM 40 CA ASN A 4 -10.851 16.699 -6.638 1.00 72.55 C ATOM 41 C ASN A 4 -9.451 16.521 -6.033 1.00 54.43 C ATOM 42 O ASN A 4 -9.307 16.203 -4.857 1.00 42.35 O ATOM 43 CB ASN A 4 -11.835 15.632 -6.122 1.00 25.14 C ATOM 44 CG ASN A 4 -12.227 15.888 -4.671 1.00 11.22 C ATOM 45 OD1 ASN A 4 -12.566 17.012 -4.303 1.00 50.41 O ATOM 46 ND2 ASN A 4 -12.231 14.886 -3.813 1.00 43.01 N ATOM 0 H ASN A 4 -10.494 15.826 -8.512 1.00 33.42 H new ATOM 0 HA ASN A 4 -11.175 17.686 -6.310 1.00 72.55 H new ATOM 0 HB2 ASN A 4 -12.729 15.628 -6.746 1.00 25.14 H new ATOM 0 HB3 ASN A 4 -11.381 14.645 -6.209 1.00 25.14 H new ATOM 0 HD21 ASN A 4 -12.515 15.044 -2.846 1.00 43.01 H new ATOM 0 HD22 ASN A 4 -11.950 13.954 -4.117 1.00 43.01 H new ATOM 52 N LEU A 5 -8.419 16.685 -6.859 1.00 2.44 N ATOM 53 CA LEU A 5 -7.024 16.361 -6.573 1.00 71.15 C ATOM 54 C LEU A 5 -6.390 17.458 -5.715 1.00 2.31 C ATOM 55 O LEU A 5 -6.129 18.548 -6.237 1.00 41.21 O ATOM 56 CB LEU A 5 -6.304 16.179 -7.922 1.00 52.21 C ATOM 57 CG LEU A 5 -4.958 15.442 -7.938 1.00 22.21 C ATOM 58 CD1 LEU A 5 -3.803 16.220 -7.310 1.00 65.52 C ATOM 59 CD2 LEU A 5 -5.101 14.065 -7.299 1.00 74.14 C ATOM 0 H LEU A 5 -8.541 17.068 -7.796 1.00 2.44 H new ATOM 0 HA LEU A 5 -6.942 15.438 -5.998 1.00 71.15 H new ATOM 0 HB2 LEU A 5 -6.981 15.648 -8.591 1.00 52.21 H new ATOM 0 HB3 LEU A 5 -6.145 17.169 -8.350 1.00 52.21 H new ATOM 0 HG LEU A 5 -4.689 15.334 -8.989 1.00 22.21 H new ATOM 0 HD11 LEU A 5 -2.891 15.625 -7.364 1.00 65.52 H new ATOM 0 HD12 LEU A 5 -3.658 17.156 -7.850 1.00 65.52 H new ATOM 0 HD13 LEU A 5 -4.034 16.435 -6.267 1.00 65.52 H new ATOM 0 HD21 LEU A 5 -4.139 13.554 -7.317 1.00 74.14 H new ATOM 0 HD22 LEU A 5 -5.434 14.176 -6.267 1.00 74.14 H new ATOM 0 HD23 LEU A 5 -5.833 13.480 -7.855 1.00 74.14 H new ATOM 70 N THR A 6 -6.177 17.215 -4.423 1.00 52.25 N ATOM 71 CA THR A 6 -5.677 18.224 -3.478 1.00 52.01 C ATOM 72 C THR A 6 -4.138 18.297 -3.550 1.00 63.34 C ATOM 73 O THR A 6 -3.508 17.417 -4.148 1.00 54.33 O ATOM 74 CB THR A 6 -6.205 17.936 -2.055 1.00 72.22 C ATOM 75 OG1 THR A 6 -5.541 16.864 -1.430 1.00 34.23 O ATOM 76 CG2 THR A 6 -7.695 17.605 -2.097 1.00 4.11 C ATOM 0 H THR A 6 -6.347 16.305 -3.994 1.00 52.25 H new ATOM 0 HA THR A 6 -6.054 19.209 -3.754 1.00 52.01 H new ATOM 0 HB THR A 6 -6.019 18.842 -1.478 1.00 72.22 H new ATOM 0 HG1 THR A 6 -5.913 16.727 -0.534 1.00 34.23 H new ATOM 0 HG21 THR A 6 -8.052 17.405 -1.087 1.00 4.11 H new ATOM 0 HG22 THR A 6 -8.244 18.449 -2.515 1.00 4.11 H new ATOM 0 HG23 THR A 6 -7.855 16.725 -2.720 1.00 4.11 H new ATOM 84 N PRO A 7 -3.474 19.327 -2.992 1.00 23.53 N ATOM 85 CA PRO A 7 -2.020 19.323 -2.944 1.00 3.31 C ATOM 86 C PRO A 7 -1.513 18.154 -2.091 1.00 43.14 C ATOM 87 O PRO A 7 -0.557 17.496 -2.488 1.00 41.31 O ATOM 88 CB PRO A 7 -1.611 20.695 -2.407 1.00 12.33 C ATOM 89 CG PRO A 7 -2.820 21.143 -1.589 1.00 72.24 C ATOM 90 CD PRO A 7 -4.002 20.509 -2.321 1.00 10.04 C ATOM 0 HA PRO A 7 -1.570 19.169 -3.925 1.00 3.31 H new ATOM 0 HB2 PRO A 7 -0.713 20.632 -1.792 1.00 12.33 H new ATOM 0 HB3 PRO A 7 -1.395 21.393 -3.216 1.00 12.33 H new ATOM 0 HG2 PRO A 7 -2.756 20.799 -0.557 1.00 72.24 H new ATOM 0 HG3 PRO A 7 -2.903 22.229 -1.558 1.00 72.24 H new ATOM 0 HD2 PRO A 7 -4.794 20.240 -1.622 1.00 10.04 H new ATOM 0 HD3 PRO A 7 -4.434 21.205 -3.040 1.00 10.04 H new ATOM 95 N GLU A 8 -2.153 17.856 -0.955 1.00 45.42 N ATOM 96 CA GLU A 8 -1.683 16.827 -0.036 1.00 32.52 C ATOM 97 C GLU A 8 -1.913 15.418 -0.581 1.00 1.04 C ATOM 98 O GLU A 8 -1.100 14.536 -0.305 1.00 72.44 O ATOM 99 CB GLU A 8 -2.362 17.028 1.319 1.00 42.41 C ATOM 100 CG GLU A 8 -1.542 16.491 2.511 1.00 42.22 C ATOM 101 CD GLU A 8 -1.950 15.105 3.023 1.00 2.03 C ATOM 102 OE1 GLU A 8 -3.136 14.725 2.892 1.00 61.54 O ATOM 103 OE2 GLU A 8 -1.085 14.387 3.585 1.00 24.45 O ATOM 0 H GLU A 8 -3.008 18.323 -0.652 1.00 45.42 H new ATOM 0 HA GLU A 8 -0.604 16.926 0.083 1.00 32.52 H new ATOM 0 HB2 GLU A 8 -2.548 18.092 1.468 1.00 42.41 H new ATOM 0 HB3 GLU A 8 -3.333 16.533 1.305 1.00 42.41 H new ATOM 0 HG2 GLU A 8 -0.492 16.457 2.221 1.00 42.22 H new ATOM 0 HG3 GLU A 8 -1.623 17.201 3.334 1.00 42.22 H new ATOM 108 N GLU A 9 -2.949 15.219 -1.408 1.00 12.22 N ATOM 109 CA GLU A 9 -3.105 14.013 -2.209 1.00 32.33 C ATOM 110 C GLU A 9 -1.863 13.840 -3.086 1.00 43.21 C ATOM 111 O GLU A 9 -1.301 12.749 -3.145 1.00 52.13 O ATOM 112 CB GLU A 9 -4.369 14.087 -3.094 1.00 42.03 C ATOM 113 CG GLU A 9 -5.676 13.651 -2.411 1.00 51.42 C ATOM 114 CD GLU A 9 -6.655 13.007 -3.399 1.00 32.55 C ATOM 115 OE1 GLU A 9 -7.141 13.696 -4.324 1.00 1.22 O ATOM 116 OE2 GLU A 9 -6.927 11.786 -3.281 1.00 22.45 O ATOM 0 H GLU A 9 -3.701 15.897 -1.535 1.00 12.22 H new ATOM 0 HA GLU A 9 -3.218 13.159 -1.542 1.00 32.33 H new ATOM 0 HB2 GLU A 9 -4.487 15.112 -3.446 1.00 42.03 H new ATOM 0 HB3 GLU A 9 -4.213 13.464 -3.974 1.00 42.03 H new ATOM 0 HG2 GLU A 9 -5.449 12.944 -1.613 1.00 51.42 H new ATOM 0 HG3 GLU A 9 -6.148 14.516 -1.946 1.00 51.42 H new ATOM 121 N ARG A 10 -1.415 14.900 -3.767 1.00 33.12 N ATOM 122 CA ARG A 10 -0.248 14.833 -4.645 1.00 70.11 C ATOM 123 C ARG A 10 1.075 14.753 -3.882 1.00 53.00 C ATOM 124 O ARG A 10 2.103 14.470 -4.501 1.00 1.15 O ATOM 125 CB ARG A 10 -0.239 16.052 -5.579 1.00 14.02 C ATOM 126 CG ARG A 10 0.301 15.629 -6.946 1.00 61.14 C ATOM 127 CD ARG A 10 0.525 16.827 -7.858 1.00 64.53 C ATOM 128 NE ARG A 10 0.722 16.356 -9.231 1.00 31.21 N ATOM 129 CZ ARG A 10 0.606 17.080 -10.341 1.00 12.41 C ATOM 130 NH1 ARG A 10 0.550 18.404 -10.277 1.00 24.54 N ATOM 131 NH2 ARG A 10 0.538 16.467 -11.516 1.00 61.42 N ATOM 0 H ARG A 10 -1.850 15.822 -3.724 1.00 33.12 H new ATOM 0 HA ARG A 10 -0.333 13.911 -5.220 1.00 70.11 H new ATOM 0 HB2 ARG A 10 -1.246 16.456 -5.681 1.00 14.02 H new ATOM 0 HB3 ARG A 10 0.381 16.844 -5.158 1.00 14.02 H new ATOM 0 HG2 ARG A 10 1.240 15.090 -6.816 1.00 61.14 H new ATOM 0 HG3 ARG A 10 -0.400 14.939 -7.417 1.00 61.14 H new ATOM 0 HD2 ARG A 10 -0.331 17.500 -7.811 1.00 64.53 H new ATOM 0 HD3 ARG A 10 1.395 17.394 -7.527 1.00 64.53 H new ATOM 0 HE ARG A 10 0.973 15.374 -9.348 1.00 31.21 H new ATOM 0 HH11 ARG A 10 0.596 18.873 -9.373 1.00 24.54 H new ATOM 0 HH12 ARG A 10 0.461 18.953 -11.132 1.00 24.54 H new ATOM 0 HH21 ARG A 10 0.575 15.449 -11.563 1.00 61.42 H new ATOM 0 HH22 ARG A 10 0.449 17.014 -12.372 1.00 61.42 H new ATOM 142 N ASP A 11 1.075 15.017 -2.581 1.00 62.50 N ATOM 143 CA ASP A 11 2.265 14.959 -1.730 1.00 43.12 C ATOM 144 C ASP A 11 2.367 13.618 -0.989 1.00 53.14 C ATOM 145 O ASP A 11 3.417 13.299 -0.415 1.00 21.21 O ATOM 146 CB ASP A 11 2.247 16.138 -0.740 1.00 4.41 C ATOM 147 CG ASP A 11 3.507 16.994 -0.825 1.00 21.11 C ATOM 148 OD1 ASP A 11 3.877 17.427 -1.941 1.00 14.14 O ATOM 149 OD2 ASP A 11 4.078 17.320 0.242 1.00 44.43 O ATOM 0 H ASP A 11 0.231 15.284 -2.074 1.00 62.50 H new ATOM 0 HA ASP A 11 3.148 15.038 -2.364 1.00 43.12 H new ATOM 0 HB2 ASP A 11 1.375 16.761 -0.938 1.00 4.41 H new ATOM 0 HB3 ASP A 11 2.141 15.754 0.275 1.00 4.41 H new ATOM 153 N ALA A 12 1.272 12.842 -0.976 1.00 14.42 N ATOM 154 CA ALA A 12 1.178 11.517 -0.371 1.00 73.52 C ATOM 155 C ALA A 12 1.787 10.451 -1.289 1.00 43.01 C ATOM 156 O ALA A 12 2.885 9.964 -1.022 1.00 73.44 O ATOM 157 CB ALA A 12 -0.290 11.209 -0.026 1.00 4.02 C ATOM 0 H ALA A 12 0.396 13.138 -1.406 1.00 14.42 H new ATOM 0 HA ALA A 12 1.755 11.503 0.554 1.00 73.52 H new ATOM 0 HB1 ALA A 12 -0.358 10.219 0.426 1.00 4.02 H new ATOM 0 HB2 ALA A 12 -0.663 11.955 0.676 1.00 4.02 H new ATOM 0 HB3 ALA A 12 -0.891 11.235 -0.935 1.00 4.02 H new ATOM 163 N ARG A 13 1.065 10.087 -2.357 1.00 24.53 N ATOM 164 CA ARG A 13 1.278 9.034 -3.349 1.00 73.41 C ATOM 165 C ARG A 13 1.373 7.607 -2.830 1.00 10.11 C ATOM 166 O ARG A 13 1.213 6.674 -3.621 1.00 62.51 O ATOM 167 CB ARG A 13 2.431 9.430 -4.271 1.00 30.41 C ATOM 168 CG ARG A 13 1.926 10.410 -5.333 1.00 21.54 C ATOM 169 CD ARG A 13 2.750 11.685 -5.481 1.00 70.14 C ATOM 170 NE ARG A 13 3.921 11.496 -6.337 1.00 52.03 N ATOM 171 CZ ARG A 13 4.831 12.429 -6.619 1.00 65.43 C ATOM 172 NH1 ARG A 13 4.774 13.636 -6.064 1.00 54.40 N ATOM 173 NH2 ARG A 13 5.794 12.123 -7.474 1.00 43.32 N ATOM 0 H ARG A 13 0.206 10.594 -2.569 1.00 24.53 H new ATOM 0 HA ARG A 13 0.353 8.977 -3.923 1.00 73.41 H new ATOM 0 HB2 ARG A 13 3.233 9.888 -3.691 1.00 30.41 H new ATOM 0 HB3 ARG A 13 2.849 8.544 -4.749 1.00 30.41 H new ATOM 0 HG2 ARG A 13 1.901 9.898 -6.295 1.00 21.54 H new ATOM 0 HG3 ARG A 13 0.899 10.685 -5.092 1.00 21.54 H new ATOM 0 HD2 ARG A 13 2.123 12.473 -5.897 1.00 70.14 H new ATOM 0 HD3 ARG A 13 3.074 12.021 -4.496 1.00 70.14 H new ATOM 0 HE ARG A 13 4.052 10.574 -6.753 1.00 52.03 H new ATOM 0 HH11 ARG A 13 4.025 13.862 -5.410 1.00 54.40 H new ATOM 0 HH12 ARG A 13 5.480 14.336 -6.292 1.00 54.40 H new ATOM 0 HH21 ARG A 13 5.825 11.195 -7.897 1.00 43.32 H new ATOM 0 HH22 ARG A 13 6.505 12.815 -7.710 1.00 43.32 H new ATOM 184 N THR A 14 1.581 7.427 -1.541 1.00 42.33 N ATOM 185 CA THR A 14 1.769 6.133 -0.931 1.00 64.33 C ATOM 186 C THR A 14 0.431 5.393 -0.756 1.00 24.25 C ATOM 187 O THR A 14 -0.623 6.015 -0.623 1.00 61.43 O ATOM 188 CB THR A 14 2.506 6.432 0.380 1.00 33.41 C ATOM 189 OG1 THR A 14 3.733 7.057 0.066 1.00 31.54 O ATOM 190 CG2 THR A 14 2.829 5.221 1.239 1.00 10.11 C ATOM 0 H THR A 14 1.624 8.198 -0.875 1.00 42.33 H new ATOM 0 HA THR A 14 2.352 5.446 -1.544 1.00 64.33 H new ATOM 0 HB THR A 14 1.825 7.055 0.960 1.00 33.41 H new ATOM 0 HG1 THR A 14 4.219 7.258 0.893 1.00 31.54 H new ATOM 0 HG21 THR A 14 3.349 5.543 2.141 1.00 10.11 H new ATOM 0 HG22 THR A 14 1.905 4.714 1.515 1.00 10.11 H new ATOM 0 HG23 THR A 14 3.465 4.536 0.678 1.00 10.11 H new ATOM 198 N VAL A 15 0.468 4.058 -0.680 1.00 24.13 N ATOM 199 CA VAL A 15 -0.643 3.198 -0.261 1.00 30.41 C ATOM 200 C VAL A 15 -0.170 2.326 0.916 1.00 21.23 C ATOM 201 O VAL A 15 0.967 2.468 1.364 1.00 14.13 O ATOM 202 CB VAL A 15 -1.245 2.409 -1.451 1.00 63.14 C ATOM 203 CG1 VAL A 15 -1.913 3.344 -2.472 1.00 50.43 C ATOM 204 CG2 VAL A 15 -0.215 1.520 -2.153 1.00 44.42 C ATOM 0 H VAL A 15 1.306 3.527 -0.918 1.00 24.13 H new ATOM 0 HA VAL A 15 -1.478 3.801 0.096 1.00 30.41 H new ATOM 0 HB VAL A 15 -2.006 1.758 -1.020 1.00 63.14 H new ATOM 0 HG11 VAL A 15 -2.323 2.754 -3.292 1.00 50.43 H new ATOM 0 HG12 VAL A 15 -2.716 3.898 -1.987 1.00 50.43 H new ATOM 0 HG13 VAL A 15 -1.174 4.043 -2.863 1.00 50.43 H new ATOM 0 HG21 VAL A 15 -0.693 0.991 -2.978 1.00 44.42 H new ATOM 0 HG22 VAL A 15 0.596 2.138 -2.539 1.00 44.42 H new ATOM 0 HG23 VAL A 15 0.186 0.797 -1.443 1.00 44.42 H new ATOM 214 N PHE A 16 -1.035 1.468 1.471 1.00 43.01 N ATOM 215 CA PHE A 16 -0.805 0.750 2.723 1.00 70.20 C ATOM 216 C PHE A 16 -1.339 -0.677 2.614 1.00 12.41 C ATOM 217 O PHE A 16 -2.512 -0.869 2.282 1.00 5.01 O ATOM 218 CB PHE A 16 -1.504 1.492 3.878 1.00 25.51 C ATOM 219 CG PHE A 16 -1.398 0.829 5.246 1.00 25.33 C ATOM 220 CD1 PHE A 16 -0.233 0.136 5.618 1.00 32.33 C ATOM 221 CD2 PHE A 16 -2.459 0.908 6.170 1.00 2.34 C ATOM 222 CE1 PHE A 16 -0.131 -0.496 6.863 1.00 30.14 C ATOM 223 CE2 PHE A 16 -2.335 0.334 7.447 1.00 21.43 C ATOM 224 CZ PHE A 16 -1.172 -0.373 7.793 1.00 41.41 C ATOM 0 H PHE A 16 -1.937 1.251 1.047 1.00 43.01 H new ATOM 0 HA PHE A 16 0.266 0.707 2.922 1.00 70.20 H new ATOM 0 HB2 PHE A 16 -1.085 2.496 3.947 1.00 25.51 H new ATOM 0 HB3 PHE A 16 -2.559 1.603 3.629 1.00 25.51 H new ATOM 0 HD1 PHE A 16 0.599 0.090 4.931 1.00 32.33 H new ATOM 0 HD2 PHE A 16 -3.373 1.413 5.895 1.00 2.34 H new ATOM 0 HE1 PHE A 16 0.747 -1.076 7.106 1.00 30.14 H new ATOM 0 HE2 PHE A 16 -3.136 0.437 8.164 1.00 21.43 H new ATOM 0 HZ PHE A 16 -1.080 -0.820 8.772 1.00 41.41 H new ATOM 233 N CYS A 17 -0.501 -1.663 2.919 1.00 25.41 N ATOM 234 CA CYS A 17 -0.839 -3.073 2.948 1.00 72.50 C ATOM 235 C CYS A 17 -0.883 -3.505 4.418 1.00 52.42 C ATOM 236 O CYS A 17 0.140 -3.439 5.104 1.00 5.15 O ATOM 237 CB CYS A 17 0.189 -3.868 2.129 1.00 50.21 C ATOM 238 SG CYS A 17 0.424 -3.129 0.484 1.00 53.00 S ATOM 0 H CYS A 17 0.474 -1.488 3.163 1.00 25.41 H new ATOM 0 HA CYS A 17 -1.812 -3.266 2.496 1.00 72.50 H new ATOM 0 HB2 CYS A 17 1.141 -3.893 2.660 1.00 50.21 H new ATOM 0 HB3 CYS A 17 -0.145 -4.900 2.024 1.00 50.21 H new ATOM 0 HG CYS A 17 0.741 -4.058 -0.368 1.00 53.00 H new ATOM 243 N MET A 18 -2.064 -3.902 4.908 1.00 4.03 N ATOM 244 CA MET A 18 -2.338 -4.241 6.311 1.00 74.22 C ATOM 245 C MET A 18 -3.027 -5.620 6.400 1.00 72.23 C ATOM 246 O MET A 18 -3.914 -5.858 7.219 1.00 51.30 O ATOM 247 CB MET A 18 -3.125 -3.099 6.979 1.00 1.02 C ATOM 248 CG MET A 18 -2.953 -3.017 8.510 1.00 21.25 C ATOM 249 SD MET A 18 -4.117 -3.893 9.592 1.00 43.33 S ATOM 250 CE MET A 18 -5.620 -2.969 9.181 1.00 10.32 C ATOM 0 H MET A 18 -2.888 -4.000 4.315 1.00 4.03 H new ATOM 0 HA MET A 18 -1.407 -4.337 6.870 1.00 74.22 H new ATOM 0 HB2 MET A 18 -2.811 -2.152 6.539 1.00 1.02 H new ATOM 0 HB3 MET A 18 -4.184 -3.222 6.751 1.00 1.02 H new ATOM 0 HG2 MET A 18 -1.953 -3.380 8.746 1.00 21.25 H new ATOM 0 HG3 MET A 18 -2.982 -1.963 8.785 1.00 21.25 H new ATOM 0 HE1 MET A 18 -6.293 -2.969 10.038 1.00 10.32 H new ATOM 0 HE2 MET A 18 -5.358 -1.942 8.926 1.00 10.32 H new ATOM 0 HE3 MET A 18 -6.115 -3.439 8.331 1.00 10.32 H new ATOM 258 N GLN A 19 -2.693 -6.531 5.482 1.00 24.32 N ATOM 259 CA GLN A 19 -3.288 -7.863 5.412 1.00 70.30 C ATOM 260 C GLN A 19 -2.256 -8.888 4.896 1.00 14.14 C ATOM 261 O GLN A 19 -2.618 -9.880 4.257 1.00 71.40 O ATOM 262 CB GLN A 19 -4.599 -7.760 4.605 1.00 50.11 C ATOM 263 CG GLN A 19 -5.733 -8.621 5.182 1.00 33.41 C ATOM 264 CD GLN A 19 -7.113 -8.167 4.697 1.00 73.30 C ATOM 265 OE1 GLN A 19 -8.040 -7.994 5.486 1.00 32.11 O ATOM 266 NE2 GLN A 19 -7.276 -7.916 3.412 1.00 42.02 N ATOM 0 H GLN A 19 -1.994 -6.360 4.760 1.00 24.32 H new ATOM 0 HA GLN A 19 -3.563 -8.245 6.395 1.00 70.30 H new ATOM 0 HB2 GLN A 19 -4.920 -6.719 4.577 1.00 50.11 H new ATOM 0 HB3 GLN A 19 -4.409 -8.063 3.575 1.00 50.11 H new ATOM 0 HG2 GLN A 19 -5.576 -9.662 4.899 1.00 33.41 H new ATOM 0 HG3 GLN A 19 -5.701 -8.578 6.271 1.00 33.41 H new ATOM 0 HE21 GLN A 19 -6.503 -8.061 2.762 1.00 42.02 H new ATOM 0 HE22 GLN A 19 -8.175 -7.577 3.069 1.00 42.02 H new ATOM 273 N LEU A 20 -0.961 -8.627 5.127 1.00 72.21 N ATOM 274 CA LEU A 20 0.158 -9.393 4.581 1.00 13.21 C ATOM 275 C LEU A 20 0.263 -10.814 5.144 1.00 13.54 C ATOM 276 O LEU A 20 -0.138 -11.101 6.276 1.00 41.23 O ATOM 277 CB LEU A 20 1.492 -8.645 4.782 1.00 33.01 C ATOM 278 CG LEU A 20 1.550 -7.241 4.143 1.00 32.11 C ATOM 279 CD1 LEU A 20 2.945 -6.625 4.275 1.00 51.50 C ATOM 280 CD2 LEU A 20 1.228 -7.301 2.654 1.00 64.04 C ATOM 0 H LEU A 20 -0.659 -7.852 5.718 1.00 72.21 H new ATOM 0 HA LEU A 20 -0.047 -9.493 3.515 1.00 13.21 H new ATOM 0 HB2 LEU A 20 1.682 -8.550 5.851 1.00 33.01 H new ATOM 0 HB3 LEU A 20 2.298 -9.251 4.368 1.00 33.01 H new ATOM 0 HG LEU A 20 0.815 -6.635 4.672 1.00 32.11 H new ATOM 0 HD11 LEU A 20 2.951 -5.637 3.815 1.00 51.50 H new ATOM 0 HD12 LEU A 20 3.205 -6.536 5.330 1.00 51.50 H new ATOM 0 HD13 LEU A 20 3.673 -7.263 3.774 1.00 51.50 H new ATOM 0 HD21 LEU A 20 1.276 -6.298 2.231 1.00 64.04 H new ATOM 0 HD22 LEU A 20 1.951 -7.943 2.151 1.00 64.04 H new ATOM 0 HD23 LEU A 20 0.226 -7.706 2.515 1.00 64.04 H new ATOM 291 N ALA A 21 0.889 -11.688 4.350 1.00 1.12 N ATOM 292 CA ALA A 21 1.427 -12.980 4.760 1.00 22.22 C ATOM 293 C ALA A 21 2.670 -12.779 5.636 1.00 44.10 C ATOM 294 O ALA A 21 3.030 -11.649 5.965 1.00 33.45 O ATOM 295 CB ALA A 21 1.777 -13.795 3.507 1.00 12.11 C ATOM 0 H ALA A 21 1.039 -11.501 3.359 1.00 1.12 H new ATOM 0 HA ALA A 21 0.683 -13.520 5.345 1.00 22.22 H new ATOM 0 HB1 ALA A 21 2.180 -14.763 3.804 1.00 12.11 H new ATOM 0 HB2 ALA A 21 0.879 -13.944 2.907 1.00 12.11 H new ATOM 0 HB3 ALA A 21 2.521 -13.257 2.919 1.00 12.11 H new ATOM 301 N ALA A 22 3.332 -13.879 5.999 1.00 71.44 N ATOM 302 CA ALA A 22 4.556 -13.899 6.794 1.00 70.34 C ATOM 303 C ALA A 22 5.707 -14.597 6.055 1.00 65.23 C ATOM 304 O ALA A 22 6.652 -15.063 6.693 1.00 73.00 O ATOM 305 CB ALA A 22 4.259 -14.551 8.149 1.00 25.34 C ATOM 0 H ALA A 22 3.017 -14.813 5.737 1.00 71.44 H new ATOM 0 HA ALA A 22 4.890 -12.875 6.962 1.00 70.34 H new ATOM 0 HB1 ALA A 22 5.168 -14.571 8.750 1.00 25.34 H new ATOM 0 HB2 ALA A 22 3.492 -13.977 8.669 1.00 25.34 H new ATOM 0 HB3 ALA A 22 3.905 -15.570 7.993 1.00 25.34 H new ATOM 311 N ARG A 23 5.623 -14.727 4.727 1.00 42.34 N ATOM 312 CA ARG A 23 6.699 -15.235 3.869 1.00 22.43 C ATOM 313 C ARG A 23 6.787 -14.445 2.555 1.00 23.42 C ATOM 314 O ARG A 23 7.480 -14.898 1.644 1.00 73.14 O ATOM 315 CB ARG A 23 6.479 -16.736 3.571 1.00 25.32 C ATOM 316 CG ARG A 23 6.441 -17.695 4.767 1.00 30.11 C ATOM 317 CD ARG A 23 7.758 -17.811 5.553 1.00 13.42 C ATOM 318 NE ARG A 23 8.375 -19.150 5.503 1.00 73.24 N ATOM 319 CZ ARG A 23 7.943 -20.275 6.091 1.00 11.21 C ATOM 320 NH1 ARG A 23 6.725 -20.375 6.618 1.00 62.32 N ATOM 321 NH2 ARG A 23 8.761 -21.316 6.169 1.00 71.31 N ATOM 0 H ARG A 23 4.783 -14.475 4.205 1.00 42.34 H new ATOM 0 HA ARG A 23 7.641 -15.108 4.402 1.00 22.43 H new ATOM 0 HB2 ARG A 23 5.539 -16.837 3.028 1.00 25.32 H new ATOM 0 HB3 ARG A 23 7.272 -17.066 2.900 1.00 25.32 H new ATOM 0 HG2 ARG A 23 5.656 -17.369 5.450 1.00 30.11 H new ATOM 0 HG3 ARG A 23 6.161 -18.686 4.409 1.00 30.11 H new ATOM 0 HD2 ARG A 23 8.467 -17.081 5.162 1.00 13.42 H new ATOM 0 HD3 ARG A 23 7.571 -17.548 6.594 1.00 13.42 H new ATOM 0 HE ARG A 23 9.232 -19.230 4.956 1.00 73.24 H new ATOM 0 HH11 ARG A 23 6.087 -19.580 6.582 1.00 62.32 H new ATOM 0 HH12 ARG A 23 6.430 -21.247 7.058 1.00 62.32 H new ATOM 0 HH21 ARG A 23 9.704 -21.254 5.785 1.00 71.31 H new ATOM 0 HH22 ARG A 23 8.447 -22.179 6.613 1.00 71.31 H new ATOM 332 N ILE A 24 6.057 -13.336 2.413 1.00 63.14 N ATOM 333 CA ILE A 24 5.941 -12.551 1.183 1.00 22.34 C ATOM 334 C ILE A 24 7.227 -11.729 0.996 1.00 30.35 C ATOM 335 O ILE A 24 7.848 -11.333 1.987 1.00 72.41 O ATOM 336 CB ILE A 24 4.619 -11.731 1.238 1.00 74.03 C ATOM 337 CG1 ILE A 24 4.450 -10.816 0.016 1.00 52.20 C ATOM 338 CG2 ILE A 24 4.448 -10.904 2.526 1.00 24.24 C ATOM 339 CD1 ILE A 24 3.005 -10.420 -0.301 1.00 10.34 C ATOM 0 H ILE A 24 5.510 -12.946 3.181 1.00 63.14 H new ATOM 0 HA ILE A 24 5.863 -13.172 0.291 1.00 22.34 H new ATOM 0 HB ILE A 24 3.834 -12.488 1.231 1.00 74.03 H new ATOM 0 HG12 ILE A 24 5.033 -9.909 0.177 1.00 52.20 H new ATOM 0 HG13 ILE A 24 4.873 -11.316 -0.855 1.00 52.20 H new ATOM 0 HG21 ILE A 24 3.503 -10.362 2.487 1.00 24.24 H new ATOM 0 HG22 ILE A 24 4.449 -11.570 3.389 1.00 24.24 H new ATOM 0 HG23 ILE A 24 5.270 -10.194 2.614 1.00 24.24 H new ATOM 0 HD11 ILE A 24 2.989 -9.774 -1.179 1.00 10.34 H new ATOM 0 HD12 ILE A 24 2.417 -11.316 -0.499 1.00 10.34 H new ATOM 0 HD13 ILE A 24 2.579 -9.887 0.549 1.00 10.34 H new ATOM 350 N ARG A 25 7.653 -11.449 -0.244 1.00 2.34 N ATOM 351 CA ARG A 25 8.758 -10.505 -0.463 1.00 51.23 C ATOM 352 C ARG A 25 8.254 -9.083 -0.227 1.00 34.14 C ATOM 353 O ARG A 25 7.110 -8.802 -0.569 1.00 22.35 O ATOM 354 CB ARG A 25 9.333 -10.577 -1.893 1.00 42.40 C ATOM 355 CG ARG A 25 10.673 -11.310 -1.993 1.00 32.45 C ATOM 356 CD ARG A 25 10.488 -12.819 -2.158 1.00 31.34 C ATOM 357 NE ARG A 25 11.779 -13.504 -2.332 1.00 50.33 N ATOM 358 CZ ARG A 25 12.570 -13.433 -3.408 1.00 1.53 C ATOM 359 NH1 ARG A 25 12.168 -12.801 -4.503 1.00 43.50 N ATOM 360 NH2 ARG A 25 13.784 -13.966 -3.374 1.00 62.10 N ATOM 0 H ARG A 25 7.259 -11.853 -1.094 1.00 2.34 H new ATOM 0 HA ARG A 25 9.551 -10.776 0.234 1.00 51.23 H new ATOM 0 HB2 ARG A 25 8.610 -11.075 -2.539 1.00 42.40 H new ATOM 0 HB3 ARG A 25 9.456 -9.563 -2.275 1.00 42.40 H new ATOM 0 HG2 ARG A 25 11.238 -10.919 -2.839 1.00 32.45 H new ATOM 0 HG3 ARG A 25 11.262 -11.112 -1.098 1.00 32.45 H new ATOM 0 HD2 ARG A 25 9.976 -13.222 -1.284 1.00 31.34 H new ATOM 0 HD3 ARG A 25 9.851 -13.017 -3.020 1.00 31.34 H new ATOM 0 HE ARG A 25 12.100 -14.087 -1.560 1.00 50.33 H new ATOM 0 HH11 ARG A 25 11.247 -12.363 -4.530 1.00 43.50 H new ATOM 0 HH12 ARG A 25 12.780 -12.753 -5.318 1.00 43.50 H new ATOM 0 HH21 ARG A 25 14.114 -14.430 -2.528 1.00 62.10 H new ATOM 0 HH22 ARG A 25 14.388 -13.912 -4.194 1.00 62.10 H new ATOM 371 N PRO A 26 9.115 -8.139 0.182 1.00 44.34 N ATOM 372 CA PRO A 26 8.757 -6.731 0.189 1.00 72.31 C ATOM 373 C PRO A 26 8.305 -6.268 -1.198 1.00 4.14 C ATOM 374 O PRO A 26 7.237 -5.661 -1.322 1.00 73.30 O ATOM 375 CB PRO A 26 9.986 -5.969 0.689 1.00 21.23 C ATOM 376 CG PRO A 26 11.134 -6.969 0.596 1.00 23.33 C ATOM 377 CD PRO A 26 10.464 -8.336 0.676 1.00 72.21 C ATOM 0 HA PRO A 26 7.908 -6.541 0.846 1.00 72.31 H new ATOM 0 HB2 PRO A 26 10.180 -5.088 0.078 1.00 21.23 H new ATOM 0 HB3 PRO A 26 9.846 -5.622 1.713 1.00 21.23 H new ATOM 0 HG2 PRO A 26 11.686 -6.853 -0.337 1.00 23.33 H new ATOM 0 HG3 PRO A 26 11.847 -6.830 1.408 1.00 23.33 H new ATOM 0 HD2 PRO A 26 10.999 -9.070 0.074 1.00 72.21 H new ATOM 0 HD3 PRO A 26 10.456 -8.709 1.700 1.00 72.21 H new ATOM 382 N ARG A 27 9.092 -6.590 -2.233 1.00 3.01 N ATOM 383 CA ARG A 27 8.820 -6.187 -3.609 1.00 62.53 C ATOM 384 C ARG A 27 7.530 -6.796 -4.160 1.00 74.33 C ATOM 385 O ARG A 27 6.972 -6.224 -5.086 1.00 43.20 O ATOM 386 CB ARG A 27 10.034 -6.511 -4.506 1.00 13.41 C ATOM 387 CG ARG A 27 9.997 -5.727 -5.832 1.00 1.35 C ATOM 388 CD ARG A 27 11.294 -5.807 -6.647 1.00 51.13 C ATOM 389 NE ARG A 27 11.278 -6.921 -7.611 1.00 74.32 N ATOM 390 CZ ARG A 27 10.881 -6.869 -8.891 1.00 70.33 C ATOM 391 NH1 ARG A 27 10.377 -5.753 -9.412 1.00 5.21 N ATOM 392 NH2 ARG A 27 10.984 -7.954 -9.649 1.00 43.32 N ATOM 0 H ARG A 27 9.943 -7.143 -2.132 1.00 3.01 H new ATOM 0 HA ARG A 27 8.662 -5.108 -3.611 1.00 62.53 H new ATOM 0 HB2 ARG A 27 10.954 -6.275 -3.971 1.00 13.41 H new ATOM 0 HB3 ARG A 27 10.054 -7.580 -4.717 1.00 13.41 H new ATOM 0 HG2 ARG A 27 9.175 -6.104 -6.441 1.00 1.35 H new ATOM 0 HG3 ARG A 27 9.781 -4.681 -5.616 1.00 1.35 H new ATOM 0 HD2 ARG A 27 11.444 -4.869 -7.181 1.00 51.13 H new ATOM 0 HD3 ARG A 27 12.140 -5.927 -5.970 1.00 51.13 H new ATOM 0 HE ARG A 27 11.603 -7.826 -7.269 1.00 74.32 H new ATOM 0 HH11 ARG A 27 10.287 -4.916 -8.835 1.00 5.21 H new ATOM 0 HH12 ARG A 27 10.081 -5.734 -10.388 1.00 5.21 H new ATOM 0 HH21 ARG A 27 11.362 -8.816 -9.257 1.00 43.32 H new ATOM 0 HH22 ARG A 27 10.685 -7.925 -10.624 1.00 43.32 H new ATOM 403 N ASP A 28 7.008 -7.898 -3.609 1.00 62.41 N ATOM 404 CA ASP A 28 5.808 -8.538 -4.164 1.00 23.34 C ATOM 405 C ASP A 28 4.626 -7.569 -4.142 1.00 61.20 C ATOM 406 O ASP A 28 3.764 -7.602 -5.020 1.00 61.43 O ATOM 407 CB ASP A 28 5.403 -9.794 -3.377 1.00 1.42 C ATOM 408 CG ASP A 28 6.218 -11.053 -3.665 1.00 1.11 C ATOM 409 OD1 ASP A 28 6.910 -11.121 -4.704 1.00 10.13 O ATOM 410 OD2 ASP A 28 6.098 -12.000 -2.850 1.00 2.52 O ATOM 0 H ASP A 28 7.393 -8.362 -2.787 1.00 62.41 H new ATOM 0 HA ASP A 28 6.057 -8.823 -5.186 1.00 23.34 H new ATOM 0 HB2 ASP A 28 5.477 -9.572 -2.312 1.00 1.42 H new ATOM 0 HB3 ASP A 28 4.355 -10.008 -3.585 1.00 1.42 H new ATOM 414 N LEU A 29 4.576 -6.699 -3.130 1.00 62.54 N ATOM 415 CA LEU A 29 3.467 -5.778 -2.948 1.00 14.01 C ATOM 416 C LEU A 29 3.535 -4.611 -3.920 1.00 34.44 C ATOM 417 O LEU A 29 2.496 -4.004 -4.169 1.00 65.41 O ATOM 418 CB LEU A 29 3.418 -5.248 -1.504 1.00 1.44 C ATOM 419 CG LEU A 29 2.996 -6.267 -0.428 1.00 45.11 C ATOM 420 CD1 LEU A 29 1.729 -7.039 -0.829 1.00 63.51 C ATOM 421 CD2 LEU A 29 4.119 -7.240 -0.048 1.00 1.21 C ATOM 0 H LEU A 29 5.304 -6.618 -2.420 1.00 62.54 H new ATOM 0 HA LEU A 29 2.555 -6.340 -3.152 1.00 14.01 H new ATOM 0 HB2 LEU A 29 4.404 -4.863 -1.245 1.00 1.44 H new ATOM 0 HB3 LEU A 29 2.727 -4.405 -1.470 1.00 1.44 H new ATOM 0 HG LEU A 29 2.770 -5.675 0.459 1.00 45.11 H new ATOM 0 HD11 LEU A 29 1.469 -7.746 -0.041 1.00 63.51 H new ATOM 0 HD12 LEU A 29 0.907 -6.338 -0.974 1.00 63.51 H new ATOM 0 HD13 LEU A 29 1.912 -7.581 -1.757 1.00 63.51 H new ATOM 0 HD21 LEU A 29 3.759 -7.932 0.714 1.00 1.21 H new ATOM 0 HD22 LEU A 29 4.429 -7.801 -0.930 1.00 1.21 H new ATOM 0 HD23 LEU A 29 4.969 -6.680 0.343 1.00 1.21 H new ATOM 432 N GLU A 30 4.708 -4.275 -4.449 1.00 42.23 N ATOM 433 CA GLU A 30 4.852 -3.219 -5.425 1.00 11.22 C ATOM 434 C GLU A 30 4.727 -3.831 -6.835 1.00 32.52 C ATOM 435 O GLU A 30 4.136 -3.219 -7.723 1.00 74.34 O ATOM 436 CB GLU A 30 6.159 -2.468 -5.116 1.00 4.03 C ATOM 437 CG GLU A 30 7.380 -2.916 -5.914 1.00 44.03 C ATOM 438 CD GLU A 30 8.646 -2.168 -5.514 1.00 21.22 C ATOM 439 OE1 GLU A 30 9.276 -2.518 -4.494 1.00 3.34 O ATOM 440 OE2 GLU A 30 9.109 -1.333 -6.320 1.00 10.31 O ATOM 0 H GLU A 30 5.585 -4.735 -4.206 1.00 42.23 H new ATOM 0 HA GLU A 30 4.065 -2.466 -5.380 1.00 11.22 H new ATOM 0 HB2 GLU A 30 5.998 -1.405 -5.298 1.00 4.03 H new ATOM 0 HB3 GLU A 30 6.380 -2.580 -4.054 1.00 4.03 H new ATOM 0 HG2 GLU A 30 7.533 -3.985 -5.768 1.00 44.03 H new ATOM 0 HG3 GLU A 30 7.192 -2.763 -6.977 1.00 44.03 H new ATOM 445 N GLU A 31 5.194 -5.075 -7.011 1.00 11.43 N ATOM 446 CA GLU A 31 5.033 -5.897 -8.207 1.00 34.34 C ATOM 447 C GLU A 31 3.556 -6.128 -8.521 1.00 71.43 C ATOM 448 O GLU A 31 3.180 -6.124 -9.694 1.00 74.14 O ATOM 449 CB GLU A 31 5.756 -7.243 -8.022 1.00 21.23 C ATOM 450 CG GLU A 31 7.207 -7.184 -8.507 1.00 45.03 C ATOM 451 CD GLU A 31 7.282 -7.305 -10.029 1.00 23.43 C ATOM 452 OE1 GLU A 31 7.225 -6.269 -10.736 1.00 13.35 O ATOM 453 OE2 GLU A 31 7.424 -8.434 -10.542 1.00 61.54 O ATOM 0 H GLU A 31 5.721 -5.555 -6.282 1.00 11.43 H new ATOM 0 HA GLU A 31 5.477 -5.366 -9.049 1.00 34.34 H new ATOM 0 HB2 GLU A 31 5.737 -7.524 -6.969 1.00 21.23 H new ATOM 0 HB3 GLU A 31 5.222 -8.020 -8.569 1.00 21.23 H new ATOM 0 HG2 GLU A 31 7.662 -6.245 -8.191 1.00 45.03 H new ATOM 0 HG3 GLU A 31 7.781 -7.988 -8.046 1.00 45.03 H new ATOM 458 N PHE A 32 2.713 -6.286 -7.495 1.00 45.03 N ATOM 459 CA PHE A 32 1.262 -6.314 -7.626 1.00 11.05 C ATOM 460 C PHE A 32 0.777 -5.121 -8.444 1.00 45.44 C ATOM 461 O PHE A 32 0.224 -5.281 -9.532 1.00 11.22 O ATOM 462 CB PHE A 32 0.614 -6.326 -6.238 1.00 2.03 C ATOM 463 CG PHE A 32 -0.899 -6.327 -6.306 1.00 53.32 C ATOM 464 CD1 PHE A 32 -1.546 -7.273 -7.120 1.00 63.51 C ATOM 465 CD2 PHE A 32 -1.664 -5.393 -5.580 1.00 14.11 C ATOM 466 CE1 PHE A 32 -2.940 -7.309 -7.185 1.00 12.35 C ATOM 467 CE2 PHE A 32 -3.067 -5.454 -5.615 1.00 54.14 C ATOM 468 CZ PHE A 32 -3.706 -6.421 -6.411 1.00 62.20 C ATOM 0 H PHE A 32 3.032 -6.400 -6.533 1.00 45.03 H new ATOM 0 HA PHE A 32 0.970 -7.223 -8.153 1.00 11.05 H new ATOM 0 HB2 PHE A 32 0.951 -7.206 -5.691 1.00 2.03 H new ATOM 0 HB3 PHE A 32 0.949 -5.454 -5.676 1.00 2.03 H new ATOM 0 HD1 PHE A 32 -0.962 -7.975 -7.697 1.00 63.51 H new ATOM 0 HD2 PHE A 32 -1.171 -4.630 -4.996 1.00 14.11 H new ATOM 0 HE1 PHE A 32 -3.431 -8.021 -7.832 1.00 12.35 H new ATOM 0 HE2 PHE A 32 -3.654 -4.760 -5.032 1.00 54.14 H new ATOM 0 HZ PHE A 32 -4.784 -6.481 -6.427 1.00 62.20 H new ATOM 477 N PHE A 33 1.017 -3.913 -7.936 1.00 30.51 N ATOM 478 CA PHE A 33 0.565 -2.692 -8.578 1.00 54.20 C ATOM 479 C PHE A 33 1.294 -2.441 -9.903 1.00 10.41 C ATOM 480 O PHE A 33 0.791 -1.703 -10.747 1.00 23.21 O ATOM 481 CB PHE A 33 0.758 -1.524 -7.616 1.00 45.01 C ATOM 482 CG PHE A 33 -0.019 -1.606 -6.314 1.00 65.51 C ATOM 483 CD1 PHE A 33 -1.426 -1.557 -6.328 1.00 12.42 C ATOM 484 CD2 PHE A 33 0.657 -1.643 -5.079 1.00 23.44 C ATOM 485 CE1 PHE A 33 -2.145 -1.529 -5.122 1.00 33.22 C ATOM 486 CE2 PHE A 33 -0.060 -1.574 -3.872 1.00 12.41 C ATOM 487 CZ PHE A 33 -1.461 -1.508 -3.897 1.00 22.21 C ATOM 0 H PHE A 33 1.530 -3.759 -7.068 1.00 30.51 H new ATOM 0 HA PHE A 33 -0.493 -2.794 -8.820 1.00 54.20 H new ATOM 0 HB2 PHE A 33 1.819 -1.444 -7.380 1.00 45.01 H new ATOM 0 HB3 PHE A 33 0.475 -0.605 -8.129 1.00 45.01 H new ATOM 0 HD1 PHE A 33 -1.954 -1.541 -7.270 1.00 12.42 H new ATOM 0 HD2 PHE A 33 1.734 -1.725 -5.059 1.00 23.44 H new ATOM 0 HE1 PHE A 33 -3.225 -1.524 -5.137 1.00 33.22 H new ATOM 0 HE2 PHE A 33 0.466 -1.572 -2.929 1.00 12.41 H new ATOM 0 HZ PHE A 33 -2.014 -1.441 -2.972 1.00 22.21 H new ATOM 496 N SER A 34 2.433 -3.088 -10.142 1.00 52.34 N ATOM 497 CA SER A 34 3.131 -3.063 -11.417 1.00 70.13 C ATOM 498 C SER A 34 2.377 -3.776 -12.548 1.00 63.10 C ATOM 499 O SER A 34 2.840 -3.724 -13.691 1.00 22.44 O ATOM 500 CB SER A 34 4.547 -3.609 -11.216 1.00 54.13 C ATOM 501 OG SER A 34 5.503 -2.643 -11.601 1.00 2.41 O ATOM 0 H SER A 34 2.903 -3.655 -9.437 1.00 52.34 H new ATOM 0 HA SER A 34 3.188 -2.027 -11.752 1.00 70.13 H new ATOM 0 HB2 SER A 34 4.695 -3.880 -10.171 1.00 54.13 H new ATOM 0 HB3 SER A 34 4.681 -4.517 -11.803 1.00 54.13 H new ATOM 0 HG SER A 34 6.404 -3.003 -11.466 1.00 2.41 H new ATOM 506 N THR A 35 1.212 -4.388 -12.305 1.00 41.10 N ATOM 507 CA THR A 35 0.311 -4.696 -13.409 1.00 31.14 C ATOM 508 C THR A 35 -0.295 -3.393 -13.982 1.00 11.21 C ATOM 509 O THR A 35 -0.495 -3.307 -15.191 1.00 64.24 O ATOM 510 CB THR A 35 -0.720 -5.760 -12.969 1.00 3.14 C ATOM 511 OG1 THR A 35 -1.289 -6.421 -14.087 1.00 50.23 O ATOM 512 CG2 THR A 35 -1.871 -5.200 -12.130 1.00 25.24 C ATOM 0 H THR A 35 0.883 -4.670 -11.382 1.00 41.10 H new ATOM 0 HA THR A 35 0.856 -5.147 -14.239 1.00 31.14 H new ATOM 0 HB THR A 35 -0.148 -6.452 -12.351 1.00 3.14 H new ATOM 0 HG1 THR A 35 -1.936 -7.089 -13.778 1.00 50.23 H new ATOM 0 HG21 THR A 35 -2.551 -6.008 -11.861 1.00 25.24 H new ATOM 0 HG22 THR A 35 -1.472 -4.744 -11.224 1.00 25.24 H new ATOM 0 HG23 THR A 35 -2.410 -4.449 -12.707 1.00 25.24 H new ATOM 520 N VAL A 36 -0.569 -2.363 -13.164 1.00 3.43 N ATOM 521 CA VAL A 36 -1.508 -1.306 -13.499 1.00 22.25 C ATOM 522 C VAL A 36 -0.873 0.082 -13.575 1.00 42.33 C ATOM 523 O VAL A 36 -1.546 1.035 -13.982 1.00 64.51 O ATOM 524 CB VAL A 36 -2.628 -1.358 -12.437 1.00 5.44 C ATOM 525 CG1 VAL A 36 -2.413 -0.571 -11.137 1.00 63.23 C ATOM 526 CG2 VAL A 36 -3.969 -1.083 -13.085 1.00 51.22 C ATOM 0 H VAL A 36 -0.136 -2.250 -12.247 1.00 3.43 H new ATOM 0 HA VAL A 36 -1.897 -1.476 -14.503 1.00 22.25 H new ATOM 0 HB VAL A 36 -2.600 -2.380 -12.060 1.00 5.44 H new ATOM 0 HG11 VAL A 36 -3.278 -0.699 -10.487 1.00 63.23 H new ATOM 0 HG12 VAL A 36 -1.521 -0.941 -10.631 1.00 63.23 H new ATOM 0 HG13 VAL A 36 -2.287 0.487 -11.369 1.00 63.23 H new ATOM 0 HG21 VAL A 36 -4.753 -1.122 -12.329 1.00 51.22 H new ATOM 0 HG22 VAL A 36 -3.956 -0.094 -13.544 1.00 51.22 H new ATOM 0 HG23 VAL A 36 -4.165 -1.835 -13.849 1.00 51.22 H new ATOM 536 N GLY A 37 0.383 0.228 -13.164 1.00 41.42 N ATOM 537 CA GLY A 37 0.922 1.525 -12.799 1.00 21.55 C ATOM 538 C GLY A 37 2.398 1.427 -12.410 1.00 45.04 C ATOM 539 O GLY A 37 2.968 0.333 -12.461 1.00 10.14 O ATOM 0 H GLY A 37 1.046 -0.542 -13.077 1.00 41.42 H new ATOM 0 HA2 GLY A 37 0.810 2.216 -13.635 1.00 21.55 H new ATOM 0 HA3 GLY A 37 0.351 1.937 -11.966 1.00 21.55 H new ATOM 543 N LYS A 38 3.055 2.546 -12.075 1.00 24.11 N ATOM 544 CA LYS A 38 4.485 2.579 -11.730 1.00 10.33 C ATOM 545 C LYS A 38 4.720 3.095 -10.310 1.00 62.32 C ATOM 546 O LYS A 38 4.192 4.134 -9.905 1.00 52.00 O ATOM 547 CB LYS A 38 5.323 3.339 -12.779 1.00 24.44 C ATOM 548 CG LYS A 38 4.903 4.797 -13.022 1.00 62.24 C ATOM 549 CD LYS A 38 5.941 5.589 -13.836 1.00 21.12 C ATOM 550 CE LYS A 38 5.718 5.443 -15.347 1.00 2.12 C ATOM 551 NZ LYS A 38 6.765 6.136 -16.134 1.00 52.00 N ATOM 0 H LYS A 38 2.607 3.461 -12.035 1.00 24.11 H new ATOM 0 HA LYS A 38 4.836 1.547 -11.748 1.00 10.33 H new ATOM 0 HB2 LYS A 38 6.367 3.326 -12.465 1.00 24.44 H new ATOM 0 HB3 LYS A 38 5.268 2.800 -13.725 1.00 24.44 H new ATOM 0 HG2 LYS A 38 3.948 4.812 -13.547 1.00 62.24 H new ATOM 0 HG3 LYS A 38 4.747 5.290 -12.062 1.00 62.24 H new ATOM 0 HD2 LYS A 38 5.890 6.643 -13.562 1.00 21.12 H new ATOM 0 HD3 LYS A 38 6.943 5.242 -13.582 1.00 21.12 H new ATOM 0 HE2 LYS A 38 5.707 4.385 -15.611 1.00 2.12 H new ATOM 0 HE3 LYS A 38 4.740 5.847 -15.610 1.00 2.12 H new ATOM 0 HZ1 LYS A 38 6.576 6.012 -17.149 1.00 52.00 H new ATOM 0 HZ2 LYS A 38 6.759 7.150 -15.902 1.00 52.00 H new ATOM 0 HZ3 LYS A 38 7.696 5.733 -15.904 1.00 52.00 H new ATOM 561 N VAL A 39 5.603 2.410 -9.589 1.00 5.43 N ATOM 562 CA VAL A 39 5.921 2.649 -8.190 1.00 44.31 C ATOM 563 C VAL A 39 7.410 2.910 -8.043 1.00 4.13 C ATOM 564 O VAL A 39 8.235 2.576 -8.901 1.00 32.42 O ATOM 565 CB VAL A 39 5.311 1.511 -7.357 1.00 22.51 C ATOM 566 CG1 VAL A 39 6.017 0.185 -7.513 1.00 51.32 C ATOM 567 CG2 VAL A 39 5.198 1.741 -5.851 1.00 1.43 C ATOM 0 H VAL A 39 6.139 1.638 -9.985 1.00 5.43 H new ATOM 0 HA VAL A 39 5.469 3.557 -7.790 1.00 44.31 H new ATOM 0 HB VAL A 39 4.310 1.494 -7.788 1.00 22.51 H new ATOM 0 HG11 VAL A 39 5.525 -0.564 -6.893 1.00 51.32 H new ATOM 0 HG12 VAL A 39 5.979 -0.127 -8.557 1.00 51.32 H new ATOM 0 HG13 VAL A 39 7.057 0.288 -7.202 1.00 51.32 H new ATOM 0 HG21 VAL A 39 4.752 0.864 -5.381 1.00 1.43 H new ATOM 0 HG22 VAL A 39 6.190 1.911 -5.433 1.00 1.43 H new ATOM 0 HG23 VAL A 39 4.571 2.612 -5.662 1.00 1.43 H new ATOM 577 N ARG A 40 7.710 3.658 -6.992 1.00 64.13 N ATOM 578 CA ARG A 40 8.980 4.295 -6.738 1.00 64.31 C ATOM 579 C ARG A 40 9.756 3.391 -5.793 1.00 11.42 C ATOM 580 O ARG A 40 10.874 3.001 -6.128 1.00 33.13 O ATOM 581 CB ARG A 40 8.676 5.697 -6.179 1.00 2.31 C ATOM 582 CG ARG A 40 9.849 6.667 -6.099 1.00 10.34 C ATOM 583 CD ARG A 40 10.039 7.479 -7.380 1.00 5.12 C ATOM 584 NE ARG A 40 10.838 6.758 -8.377 1.00 22.32 N ATOM 585 CZ ARG A 40 11.401 7.320 -9.447 1.00 32.33 C ATOM 586 NH1 ARG A 40 11.035 8.534 -9.844 1.00 61.33 N ATOM 587 NH2 ARG A 40 12.332 6.651 -10.109 1.00 50.14 N ATOM 0 H ARG A 40 7.030 3.843 -6.255 1.00 64.13 H new ATOM 0 HA ARG A 40 9.601 4.432 -7.623 1.00 64.31 H new ATOM 0 HB2 ARG A 40 7.901 6.150 -6.797 1.00 2.31 H new ATOM 0 HB3 ARG A 40 8.260 5.582 -5.178 1.00 2.31 H new ATOM 0 HG2 ARG A 40 9.694 7.349 -5.263 1.00 10.34 H new ATOM 0 HG3 ARG A 40 10.762 6.109 -5.890 1.00 10.34 H new ATOM 0 HD2 ARG A 40 9.064 7.721 -7.803 1.00 5.12 H new ATOM 0 HD3 ARG A 40 10.526 8.424 -7.141 1.00 5.12 H new ATOM 0 HE ARG A 40 10.972 5.756 -8.242 1.00 22.32 H new ATOM 0 HH11 ARG A 40 10.318 9.044 -9.329 1.00 61.33 H new ATOM 0 HH12 ARG A 40 11.471 8.956 -10.664 1.00 61.33 H new ATOM 0 HH21 ARG A 40 12.609 5.720 -9.798 1.00 50.14 H new ATOM 0 HH22 ARG A 40 12.772 7.067 -10.930 1.00 50.14 H new ATOM 598 N ASP A 41 9.167 3.003 -4.659 1.00 23.33 N ATOM 599 CA ASP A 41 9.814 2.117 -3.678 1.00 54.12 C ATOM 600 C ASP A 41 8.788 1.626 -2.647 1.00 72.22 C ATOM 601 O ASP A 41 7.608 1.971 -2.754 1.00 14.21 O ATOM 602 CB ASP A 41 11.003 2.818 -2.982 1.00 2.43 C ATOM 603 CG ASP A 41 12.143 1.829 -2.725 1.00 31.35 C ATOM 604 OD1 ASP A 41 12.075 1.033 -1.762 1.00 64.50 O ATOM 605 OD2 ASP A 41 13.132 1.838 -3.489 1.00 61.13 O ATOM 0 H ASP A 41 8.226 3.293 -4.391 1.00 23.33 H new ATOM 0 HA ASP A 41 10.211 1.254 -4.212 1.00 54.12 H new ATOM 0 HB2 ASP A 41 11.361 3.639 -3.603 1.00 2.43 H new ATOM 0 HB3 ASP A 41 10.673 3.253 -2.038 1.00 2.43 H new ATOM 609 N VAL A 42 9.208 0.841 -1.649 1.00 72.31 N ATOM 610 CA VAL A 42 8.330 0.263 -0.633 1.00 11.11 C ATOM 611 C VAL A 42 9.078 0.128 0.702 1.00 51.44 C ATOM 612 O VAL A 42 10.293 -0.097 0.712 1.00 21.55 O ATOM 613 CB VAL A 42 7.785 -1.076 -1.185 1.00 30.43 C ATOM 614 CG1 VAL A 42 8.854 -2.162 -1.367 1.00 41.11 C ATOM 615 CG2 VAL A 42 6.643 -1.622 -0.324 1.00 54.13 C ATOM 0 H VAL A 42 10.188 0.586 -1.525 1.00 72.31 H new ATOM 0 HA VAL A 42 7.478 0.909 -0.421 1.00 11.11 H new ATOM 0 HB VAL A 42 7.409 -0.829 -2.178 1.00 30.43 H new ATOM 0 HG11 VAL A 42 8.390 -3.068 -1.757 1.00 41.11 H new ATOM 0 HG12 VAL A 42 9.612 -1.812 -2.067 1.00 41.11 H new ATOM 0 HG13 VAL A 42 9.320 -2.378 -0.406 1.00 41.11 H new ATOM 0 HG21 VAL A 42 6.288 -2.563 -0.745 1.00 54.13 H new ATOM 0 HG22 VAL A 42 7.002 -1.791 0.691 1.00 54.13 H new ATOM 0 HG23 VAL A 42 5.825 -0.902 -0.305 1.00 54.13 H new ATOM 625 N ARG A 43 8.382 0.224 1.839 1.00 22.33 N ATOM 626 CA ARG A 43 8.952 0.116 3.192 1.00 43.02 C ATOM 627 C ARG A 43 8.222 -0.967 3.972 1.00 43.03 C ATOM 628 O ARG A 43 7.102 -1.311 3.600 1.00 3.43 O ATOM 629 CB ARG A 43 8.848 1.470 3.919 1.00 1.31 C ATOM 630 CG ARG A 43 9.775 2.497 3.262 1.00 31.45 C ATOM 631 CD ARG A 43 9.843 3.824 4.025 1.00 4.02 C ATOM 632 NE ARG A 43 10.934 4.671 3.509 1.00 24.21 N ATOM 633 CZ ARG A 43 10.906 5.400 2.387 1.00 30.51 C ATOM 634 NH1 ARG A 43 9.810 5.494 1.642 1.00 70.43 N ATOM 635 NH2 ARG A 43 11.981 6.087 2.013 1.00 45.41 N ATOM 0 H ARG A 43 7.375 0.384 1.847 1.00 22.33 H new ATOM 0 HA ARG A 43 10.005 -0.155 3.118 1.00 43.02 H new ATOM 0 HB2 ARG A 43 7.819 1.828 3.891 1.00 1.31 H new ATOM 0 HB3 ARG A 43 9.114 1.348 4.969 1.00 1.31 H new ATOM 0 HG2 ARG A 43 10.778 2.076 3.188 1.00 31.45 H new ATOM 0 HG3 ARG A 43 9.433 2.687 2.245 1.00 31.45 H new ATOM 0 HD2 ARG A 43 8.893 4.351 3.932 1.00 4.02 H new ATOM 0 HD3 ARG A 43 9.998 3.631 5.086 1.00 4.02 H new ATOM 0 HE ARG A 43 11.792 4.705 4.060 1.00 24.21 H new ATOM 0 HH11 ARG A 43 8.960 5.003 1.920 1.00 70.43 H new ATOM 0 HH12 ARG A 43 9.818 6.057 0.792 1.00 70.43 H new ATOM 0 HH21 ARG A 43 12.828 6.059 2.581 1.00 45.41 H new ATOM 0 HH22 ARG A 43 11.959 6.642 1.158 1.00 45.41 H new ATOM 646 N MET A 44 8.823 -1.503 5.032 1.00 1.42 N ATOM 647 CA MET A 44 8.226 -2.503 5.909 1.00 32.54 C ATOM 648 C MET A 44 8.586 -2.142 7.342 1.00 33.23 C ATOM 649 O MET A 44 9.751 -1.882 7.647 1.00 52.00 O ATOM 650 CB MET A 44 8.680 -3.937 5.566 1.00 42.44 C ATOM 651 CG MET A 44 10.188 -4.119 5.308 1.00 33.25 C ATOM 652 SD MET A 44 10.841 -5.810 5.503 1.00 54.30 S ATOM 653 CE MET A 44 9.602 -6.795 4.634 1.00 1.14 C ATOM 0 H MET A 44 9.769 -1.244 5.312 1.00 1.42 H new ATOM 0 HA MET A 44 7.145 -2.496 5.773 1.00 32.54 H new ATOM 0 HB2 MET A 44 8.388 -4.596 6.384 1.00 42.44 H new ATOM 0 HB3 MET A 44 8.137 -4.268 4.681 1.00 42.44 H new ATOM 0 HG2 MET A 44 10.405 -3.783 4.294 1.00 33.25 H new ATOM 0 HG3 MET A 44 10.733 -3.461 5.985 1.00 33.25 H new ATOM 0 HE1 MET A 44 10.080 -7.663 4.181 1.00 1.14 H new ATOM 0 HE2 MET A 44 8.841 -7.127 5.340 1.00 1.14 H new ATOM 0 HE3 MET A 44 9.136 -6.190 3.856 1.00 1.14 H new ATOM 661 N ILE A 45 7.598 -2.140 8.241 1.00 24.12 N ATOM 662 CA ILE A 45 7.857 -1.825 9.649 1.00 11.42 C ATOM 663 C ILE A 45 8.326 -3.112 10.322 1.00 54.40 C ATOM 664 O ILE A 45 7.562 -3.873 10.913 1.00 30.25 O ATOM 665 CB ILE A 45 6.703 -1.061 10.340 1.00 33.53 C ATOM 666 CG1 ILE A 45 6.286 0.143 9.463 1.00 5.31 C ATOM 667 CG2 ILE A 45 7.153 -0.598 11.738 1.00 44.32 C ATOM 668 CD1 ILE A 45 5.050 -0.137 8.611 1.00 10.22 C ATOM 0 H ILE A 45 6.624 -2.350 8.024 1.00 24.12 H new ATOM 0 HA ILE A 45 8.657 -1.091 9.744 1.00 11.42 H new ATOM 0 HB ILE A 45 5.841 -1.717 10.459 1.00 33.53 H new ATOM 0 HG12 ILE A 45 6.091 1.002 10.105 1.00 5.31 H new ATOM 0 HG13 ILE A 45 7.116 0.415 8.811 1.00 5.31 H new ATOM 0 HG21 ILE A 45 6.338 -0.060 12.223 1.00 44.32 H new ATOM 0 HG22 ILE A 45 7.423 -1.466 12.339 1.00 44.32 H new ATOM 0 HG23 ILE A 45 8.017 0.060 11.643 1.00 44.32 H new ATOM 0 HD11 ILE A 45 4.809 0.746 8.019 1.00 10.22 H new ATOM 0 HD12 ILE A 45 5.250 -0.977 7.945 1.00 10.22 H new ATOM 0 HD13 ILE A 45 4.208 -0.380 9.260 1.00 10.22 H new ATOM 679 N SER A 46 9.606 -3.396 10.129 1.00 73.00 N ATOM 680 CA SER A 46 10.324 -4.509 10.705 1.00 63.41 C ATOM 681 C SER A 46 10.714 -4.158 12.135 1.00 34.15 C ATOM 682 O SER A 46 11.708 -3.461 12.353 1.00 64.10 O ATOM 683 CB SER A 46 11.545 -4.761 9.833 1.00 22.14 C ATOM 684 OG SER A 46 11.103 -5.141 8.550 1.00 63.30 O ATOM 0 H SER A 46 10.199 -2.820 9.532 1.00 73.00 H new ATOM 0 HA SER A 46 9.716 -5.413 10.741 1.00 63.41 H new ATOM 0 HB2 SER A 46 12.160 -3.863 9.772 1.00 22.14 H new ATOM 0 HB3 SER A 46 12.167 -5.544 10.268 1.00 22.14 H new ATOM 0 HG SER A 46 11.812 -4.970 7.896 1.00 63.30 H new ATOM 689 N ASP A 47 9.910 -4.597 13.094 1.00 4.12 N ATOM 690 CA ASP A 47 10.060 -4.362 14.518 1.00 55.13 C ATOM 691 C ASP A 47 9.891 -5.675 15.294 1.00 2.12 C ATOM 692 O ASP A 47 9.863 -6.763 14.707 1.00 2.24 O ATOM 693 CB ASP A 47 9.063 -3.286 14.959 1.00 4.53 C ATOM 694 CG ASP A 47 7.683 -3.864 15.270 1.00 34.43 C ATOM 695 OD1 ASP A 47 6.927 -4.134 14.323 1.00 55.12 O ATOM 696 OD2 ASP A 47 7.378 -4.035 16.473 1.00 20.12 O ATOM 0 H ASP A 47 9.087 -5.161 12.882 1.00 4.12 H new ATOM 0 HA ASP A 47 11.063 -3.996 14.736 1.00 55.13 H new ATOM 0 HB2 ASP A 47 9.449 -2.777 15.843 1.00 4.53 H new ATOM 0 HB3 ASP A 47 8.971 -2.536 14.174 1.00 4.53 H new ATOM 700 N ARG A 48 9.822 -5.578 16.624 1.00 23.22 N ATOM 701 CA ARG A 48 9.780 -6.715 17.534 1.00 73.00 C ATOM 702 C ARG A 48 8.599 -6.604 18.475 1.00 15.15 C ATOM 703 O ARG A 48 7.683 -7.418 18.385 1.00 3.51 O ATOM 704 CB ARG A 48 11.112 -6.838 18.280 1.00 54.14 C ATOM 705 CG ARG A 48 11.410 -8.291 18.630 1.00 33.34 C ATOM 706 CD ARG A 48 12.780 -8.366 19.317 1.00 34.22 C ATOM 707 NE ARG A 48 13.640 -9.440 18.794 1.00 62.23 N ATOM 708 CZ ARG A 48 14.628 -10.030 19.482 1.00 42.11 C ATOM 709 NH1 ARG A 48 14.774 -9.814 20.781 1.00 0.52 N ATOM 710 NH2 ARG A 48 15.492 -10.842 18.895 1.00 64.32 N ATOM 0 H ARG A 48 9.793 -4.680 17.106 1.00 23.22 H new ATOM 0 HA ARG A 48 9.640 -7.631 16.961 1.00 73.00 H new ATOM 0 HB2 ARG A 48 11.916 -6.436 17.664 1.00 54.14 H new ATOM 0 HB3 ARG A 48 11.079 -6.240 19.191 1.00 54.14 H new ATOM 0 HG2 ARG A 48 10.636 -8.687 19.288 1.00 33.34 H new ATOM 0 HG3 ARG A 48 11.406 -8.904 17.729 1.00 33.34 H new ATOM 0 HD2 ARG A 48 13.291 -7.411 19.197 1.00 34.22 H new ATOM 0 HD3 ARG A 48 12.634 -8.517 20.387 1.00 34.22 H new ATOM 0 HE ARG A 48 13.472 -9.758 17.840 1.00 62.23 H new ATOM 0 HH11 ARG A 48 14.130 -9.192 21.270 1.00 0.52 H new ATOM 0 HH12 ARG A 48 15.530 -10.270 21.292 1.00 0.52 H new ATOM 0 HH21 ARG A 48 15.416 -11.032 17.896 1.00 64.32 H new ATOM 0 HH22 ARG A 48 16.235 -11.278 19.442 1.00 64.32 H new ATOM 721 N ASN A 49 8.619 -5.640 19.396 1.00 32.34 N ATOM 722 CA ASN A 49 7.505 -5.369 20.296 1.00 44.30 C ATOM 723 C ASN A 49 7.209 -3.893 20.224 1.00 53.34 C ATOM 724 O ASN A 49 7.581 -3.092 21.086 1.00 20.42 O ATOM 725 CB ASN A 49 7.729 -5.878 21.722 1.00 32.41 C ATOM 726 CG ASN A 49 6.885 -7.120 21.919 1.00 53.40 C ATOM 727 OD1 ASN A 49 5.669 -7.044 22.034 1.00 3.25 O ATOM 728 ND2 ASN A 49 7.502 -8.279 21.869 1.00 2.31 N ATOM 0 H ASN A 49 9.418 -5.021 19.537 1.00 32.34 H new ATOM 0 HA ASN A 49 6.631 -5.933 19.970 1.00 44.30 H new ATOM 0 HB2 ASN A 49 8.783 -6.105 21.883 1.00 32.41 H new ATOM 0 HB3 ASN A 49 7.453 -5.112 22.447 1.00 32.41 H new ATOM 0 HD21 ASN A 49 6.966 -9.145 21.926 1.00 2.31 H new ATOM 0 HD22 ASN A 49 8.517 -8.313 21.773 1.00 2.31 H new ATOM 734 N SER A 50 6.602 -3.550 19.105 1.00 43.44 N ATOM 735 CA SER A 50 6.132 -2.212 18.808 1.00 52.31 C ATOM 736 C SER A 50 4.831 -2.286 18.010 1.00 40.44 C ATOM 737 O SER A 50 3.774 -1.904 18.522 1.00 63.04 O ATOM 738 CB SER A 50 7.262 -1.423 18.120 1.00 61.34 C ATOM 739 OG SER A 50 7.249 -0.056 18.494 1.00 54.10 O ATOM 0 H SER A 50 6.417 -4.216 18.355 1.00 43.44 H new ATOM 0 HA SER A 50 5.886 -1.665 19.718 1.00 52.31 H new ATOM 0 HB2 SER A 50 8.224 -1.863 18.381 1.00 61.34 H new ATOM 0 HB3 SER A 50 7.157 -1.505 17.038 1.00 61.34 H new ATOM 0 HG SER A 50 7.980 0.414 18.041 1.00 54.10 H new ATOM 744 N ARG A 51 4.870 -2.761 16.763 1.00 24.32 N ATOM 745 CA ARG A 51 3.779 -2.553 15.817 1.00 42.30 C ATOM 746 C ARG A 51 3.841 -3.613 14.720 1.00 55.23 C ATOM 747 O ARG A 51 3.596 -3.299 13.553 1.00 30.22 O ATOM 748 CB ARG A 51 3.875 -1.103 15.278 1.00 51.21 C ATOM 749 CG ARG A 51 2.565 -0.478 14.759 1.00 62.21 C ATOM 750 CD ARG A 51 1.622 0.071 15.847 1.00 15.11 C ATOM 751 NE ARG A 51 1.045 -0.967 16.716 1.00 61.30 N ATOM 752 CZ ARG A 51 -0.069 -1.679 16.499 1.00 4.01 C ATOM 753 NH1 ARG A 51 -0.870 -1.413 15.473 1.00 13.14 N ATOM 754 NH2 ARG A 51 -0.379 -2.654 17.341 1.00 31.13 N ATOM 0 H ARG A 51 5.653 -3.296 16.386 1.00 24.32 H new ATOM 0 HA ARG A 51 2.806 -2.666 16.295 1.00 42.30 H new ATOM 0 HB2 ARG A 51 4.265 -0.468 16.073 1.00 51.21 H new ATOM 0 HB3 ARG A 51 4.606 -1.087 14.469 1.00 51.21 H new ATOM 0 HG2 ARG A 51 2.815 0.333 14.075 1.00 62.21 H new ATOM 0 HG3 ARG A 51 2.027 -1.229 14.181 1.00 62.21 H new ATOM 0 HD2 ARG A 51 2.170 0.783 16.463 1.00 15.11 H new ATOM 0 HD3 ARG A 51 0.812 0.621 15.368 1.00 15.11 H new ATOM 0 HE ARG A 51 1.549 -1.167 17.580 1.00 61.30 H new ATOM 0 HH11 ARG A 51 -0.642 -0.654 14.831 1.00 13.14 H new ATOM 0 HH12 ARG A 51 -1.713 -1.968 15.327 1.00 13.14 H new ATOM 0 HH21 ARG A 51 0.226 -2.851 18.138 1.00 31.13 H new ATOM 0 HH22 ARG A 51 -1.223 -3.207 17.192 1.00 31.13 H new ATOM 765 N ARG A 52 4.106 -4.878 15.085 1.00 55.24 N ATOM 766 CA ARG A 52 4.321 -5.952 14.113 1.00 70.42 C ATOM 767 C ARG A 52 3.106 -6.085 13.210 1.00 74.13 C ATOM 768 O ARG A 52 3.276 -6.396 12.031 1.00 5.34 O ATOM 769 CB ARG A 52 4.695 -7.277 14.807 1.00 33.33 C ATOM 770 CG ARG A 52 6.219 -7.489 14.840 1.00 13.31 C ATOM 771 CD ARG A 52 6.657 -8.752 15.598 1.00 4.22 C ATOM 772 NE ARG A 52 6.203 -10.018 14.985 1.00 50.14 N ATOM 773 CZ ARG A 52 6.531 -11.256 15.390 1.00 70.12 C ATOM 774 NH1 ARG A 52 7.402 -11.443 16.374 1.00 3.52 N ATOM 775 NH2 ARG A 52 5.965 -12.311 14.818 1.00 23.44 N ATOM 0 H ARG A 52 4.176 -5.179 16.057 1.00 55.24 H new ATOM 0 HA ARG A 52 5.173 -5.694 13.484 1.00 70.42 H new ATOM 0 HB2 ARG A 52 4.305 -7.278 15.825 1.00 33.33 H new ATOM 0 HB3 ARG A 52 4.223 -8.108 14.284 1.00 33.33 H new ATOM 0 HG2 ARG A 52 6.590 -7.545 13.817 1.00 13.31 H new ATOM 0 HG3 ARG A 52 6.687 -6.620 15.302 1.00 13.31 H new ATOM 0 HD2 ARG A 52 7.745 -8.763 15.663 1.00 4.22 H new ATOM 0 HD3 ARG A 52 6.277 -8.699 16.618 1.00 4.22 H new ATOM 0 HE ARG A 52 5.582 -9.945 14.179 1.00 50.14 H new ATOM 0 HH11 ARG A 52 7.832 -10.640 16.834 1.00 3.52 H new ATOM 0 HH12 ARG A 52 7.641 -12.389 16.671 1.00 3.52 H new ATOM 0 HH21 ARG A 52 5.282 -12.181 14.072 1.00 23.44 H new ATOM 0 HH22 ARG A 52 6.213 -13.252 15.124 1.00 23.44 H new ATOM 786 N SER A 53 1.913 -5.803 13.750 1.00 53.21 N ATOM 787 CA SER A 53 0.638 -5.639 13.063 1.00 1.13 C ATOM 788 C SER A 53 0.384 -6.729 12.023 1.00 33.01 C ATOM 789 O SER A 53 -0.161 -6.458 10.956 1.00 71.03 O ATOM 790 CB SER A 53 0.570 -4.220 12.496 1.00 72.01 C ATOM 791 OG SER A 53 0.889 -3.280 13.502 1.00 4.55 O ATOM 0 H SER A 53 1.813 -5.675 14.757 1.00 53.21 H new ATOM 0 HA SER A 53 -0.177 -5.764 13.775 1.00 1.13 H new ATOM 0 HB2 SER A 53 1.263 -4.120 11.661 1.00 72.01 H new ATOM 0 HB3 SER A 53 -0.429 -4.023 12.107 1.00 72.01 H new ATOM 0 HG SER A 53 1.856 -3.124 13.509 1.00 4.55 H new ATOM 796 N LYS A 54 0.825 -7.955 12.329 1.00 3.25 N ATOM 797 CA LYS A 54 0.780 -9.135 11.452 1.00 1.11 C ATOM 798 C LYS A 54 1.227 -8.845 10.003 1.00 64.40 C ATOM 799 O LYS A 54 0.690 -9.433 9.062 1.00 24.34 O ATOM 800 CB LYS A 54 -0.499 -10.009 11.610 1.00 4.54 C ATOM 801 CG LYS A 54 -1.776 -9.349 12.134 1.00 64.24 C ATOM 802 CD LYS A 54 -2.623 -8.601 11.102 1.00 3.43 C ATOM 803 CE LYS A 54 -3.599 -9.528 10.364 1.00 73.40 C ATOM 804 NZ LYS A 54 -4.333 -8.784 9.321 1.00 5.41 N ATOM 0 H LYS A 54 1.242 -8.163 13.236 1.00 3.25 H new ATOM 0 HA LYS A 54 1.558 -9.801 11.826 1.00 1.11 H new ATOM 0 HB2 LYS A 54 -0.726 -10.443 10.636 1.00 4.54 H new ATOM 0 HB3 LYS A 54 -0.255 -10.835 12.278 1.00 4.54 H new ATOM 0 HG2 LYS A 54 -2.396 -10.119 12.593 1.00 64.24 H new ATOM 0 HG3 LYS A 54 -1.501 -8.649 12.923 1.00 64.24 H new ATOM 0 HD2 LYS A 54 -3.184 -7.810 11.600 1.00 3.43 H new ATOM 0 HD3 LYS A 54 -1.966 -8.119 10.378 1.00 3.43 H new ATOM 0 HE2 LYS A 54 -3.052 -10.355 9.912 1.00 73.40 H new ATOM 0 HE3 LYS A 54 -4.304 -9.962 11.073 1.00 73.40 H new ATOM 0 HZ1 LYS A 54 -4.988 -9.427 8.832 1.00 5.41 H new ATOM 0 HZ2 LYS A 54 -4.871 -8.010 9.760 1.00 5.41 H new ATOM 0 HZ3 LYS A 54 -3.658 -8.391 8.635 1.00 5.41 H new ATOM 814 N GLY A 55 2.243 -8.000 9.812 1.00 13.13 N ATOM 815 CA GLY A 55 2.898 -7.794 8.528 1.00 52.42 C ATOM 816 C GLY A 55 2.307 -6.575 7.850 1.00 51.12 C ATOM 817 O GLY A 55 1.140 -6.583 7.467 1.00 71.30 O ATOM 0 H GLY A 55 2.637 -7.432 10.562 1.00 13.13 H new ATOM 0 HA2 GLY A 55 3.970 -7.659 8.672 1.00 52.42 H new ATOM 0 HA3 GLY A 55 2.769 -8.673 7.897 1.00 52.42 H new ATOM 821 N ILE A 56 3.093 -5.513 7.735 1.00 12.32 N ATOM 822 CA ILE A 56 2.653 -4.195 7.315 1.00 42.13 C ATOM 823 C ILE A 56 3.738 -3.555 6.454 1.00 53.02 C ATOM 824 O ILE A 56 4.936 -3.675 6.739 1.00 31.53 O ATOM 825 CB ILE A 56 2.300 -3.305 8.536 1.00 33.53 C ATOM 826 CG1 ILE A 56 2.994 -3.645 9.870 1.00 61.40 C ATOM 827 CG2 ILE A 56 0.790 -3.381 8.809 1.00 52.42 C ATOM 828 CD1 ILE A 56 4.499 -3.764 9.828 1.00 50.34 C ATOM 0 H ILE A 56 4.091 -5.550 7.940 1.00 12.32 H new ATOM 0 HA ILE A 56 1.743 -4.293 6.723 1.00 42.13 H new ATOM 0 HB ILE A 56 2.657 -2.319 8.237 1.00 33.53 H new ATOM 0 HG12 ILE A 56 2.731 -2.878 10.598 1.00 61.40 H new ATOM 0 HG13 ILE A 56 2.586 -4.586 10.238 1.00 61.40 H new ATOM 0 HG21 ILE A 56 0.543 -2.755 9.667 1.00 52.42 H new ATOM 0 HG22 ILE A 56 0.244 -3.029 7.934 1.00 52.42 H new ATOM 0 HG23 ILE A 56 0.510 -4.413 9.020 1.00 52.42 H new ATOM 0 HD11 ILE A 56 4.873 -4.005 10.823 1.00 50.34 H new ATOM 0 HD12 ILE A 56 4.782 -4.554 9.132 1.00 50.34 H new ATOM 0 HD13 ILE A 56 4.930 -2.819 9.498 1.00 50.34 H new ATOM 839 N ALA A 57 3.315 -2.849 5.407 1.00 34.33 N ATOM 840 CA ALA A 57 4.187 -2.132 4.495 1.00 61.14 C ATOM 841 C ALA A 57 3.395 -1.004 3.836 1.00 22.25 C ATOM 842 O ALA A 57 2.184 -1.134 3.650 1.00 70.23 O ATOM 843 CB ALA A 57 4.643 -3.104 3.395 1.00 24.12 C ATOM 0 H ALA A 57 2.327 -2.761 5.168 1.00 34.33 H new ATOM 0 HA ALA A 57 5.043 -1.728 5.035 1.00 61.14 H new ATOM 0 HB1 ALA A 57 5.300 -2.583 2.699 1.00 24.12 H new ATOM 0 HB2 ALA A 57 5.180 -3.938 3.846 1.00 24.12 H new ATOM 0 HB3 ALA A 57 3.772 -3.481 2.859 1.00 24.12 H new ATOM 849 N TYR A 58 4.074 0.067 3.436 1.00 71.20 N ATOM 850 CA TYR A 58 3.523 1.188 2.673 1.00 11.42 C ATOM 851 C TYR A 58 4.379 1.349 1.418 1.00 51.03 C ATOM 852 O TYR A 58 5.589 1.104 1.467 1.00 13.41 O ATOM 853 CB TYR A 58 3.565 2.476 3.511 1.00 31.14 C ATOM 854 CG TYR A 58 2.721 2.477 4.772 1.00 43.44 C ATOM 855 CD1 TYR A 58 3.135 1.703 5.869 1.00 72.44 C ATOM 856 CD2 TYR A 58 1.557 3.271 4.875 1.00 14.31 C ATOM 857 CE1 TYR A 58 2.385 1.670 7.050 1.00 51.03 C ATOM 858 CE2 TYR A 58 0.824 3.275 6.078 1.00 41.31 C ATOM 859 CZ TYR A 58 1.231 2.475 7.172 1.00 14.05 C ATOM 860 OH TYR A 58 0.532 2.508 8.338 1.00 62.50 O ATOM 0 H TYR A 58 5.066 0.185 3.642 1.00 71.20 H new ATOM 0 HA TYR A 58 2.483 0.997 2.409 1.00 11.42 H new ATOM 0 HB2 TYR A 58 4.600 2.670 3.791 1.00 31.14 H new ATOM 0 HB3 TYR A 58 3.244 3.306 2.882 1.00 31.14 H new ATOM 0 HD1 TYR A 58 4.045 1.125 5.800 1.00 72.44 H new ATOM 0 HD2 TYR A 58 1.232 3.870 4.038 1.00 14.31 H new ATOM 0 HE1 TYR A 58 2.688 1.031 7.866 1.00 51.03 H new ATOM 0 HE2 TYR A 58 -0.056 3.894 6.166 1.00 41.31 H new ATOM 0 HH TYR A 58 -0.044 1.717 8.397 1.00 62.50 H new ATOM 869 N VAL A 59 3.768 1.753 0.307 1.00 5.04 N ATOM 870 CA VAL A 59 4.319 1.603 -1.040 1.00 23.35 C ATOM 871 C VAL A 59 4.209 2.957 -1.746 1.00 11.34 C ATOM 872 O VAL A 59 3.091 3.446 -1.895 1.00 73.52 O ATOM 873 CB VAL A 59 3.549 0.488 -1.801 1.00 52.04 C ATOM 874 CG1 VAL A 59 4.434 -0.120 -2.892 1.00 65.32 C ATOM 875 CG2 VAL A 59 2.972 -0.653 -0.934 1.00 70.51 C ATOM 0 H VAL A 59 2.854 2.205 0.317 1.00 5.04 H new ATOM 0 HA VAL A 59 5.367 1.304 -1.007 1.00 23.35 H new ATOM 0 HB VAL A 59 2.685 1.004 -2.218 1.00 52.04 H new ATOM 0 HG11 VAL A 59 3.881 -0.899 -3.416 1.00 65.32 H new ATOM 0 HG12 VAL A 59 4.725 0.657 -3.599 1.00 65.32 H new ATOM 0 HG13 VAL A 59 5.327 -0.551 -2.438 1.00 65.32 H new ATOM 0 HG21 VAL A 59 2.457 -1.371 -1.573 1.00 70.51 H new ATOM 0 HG22 VAL A 59 3.783 -1.154 -0.405 1.00 70.51 H new ATOM 0 HG23 VAL A 59 2.268 -0.240 -0.211 1.00 70.51 H new ATOM 885 N GLU A 60 5.329 3.601 -2.092 1.00 22.11 N ATOM 886 CA GLU A 60 5.352 4.947 -2.667 1.00 52.10 C ATOM 887 C GLU A 60 5.172 4.860 -4.192 1.00 33.43 C ATOM 888 O GLU A 60 6.135 4.602 -4.910 1.00 13.32 O ATOM 889 CB GLU A 60 6.662 5.692 -2.297 1.00 22.25 C ATOM 890 CG GLU A 60 6.601 7.176 -2.729 1.00 74.43 C ATOM 891 CD GLU A 60 7.948 7.923 -2.761 1.00 3.05 C ATOM 892 OE1 GLU A 60 8.787 7.822 -1.835 1.00 32.54 O ATOM 893 OE2 GLU A 60 8.173 8.729 -3.701 1.00 31.22 O ATOM 0 H GLU A 60 6.257 3.194 -1.978 1.00 22.11 H new ATOM 0 HA GLU A 60 4.526 5.523 -2.249 1.00 52.10 H new ATOM 0 HB2 GLU A 60 6.828 5.630 -1.221 1.00 22.25 H new ATOM 0 HB3 GLU A 60 7.510 5.205 -2.779 1.00 22.25 H new ATOM 0 HG2 GLU A 60 6.155 7.227 -3.722 1.00 74.43 H new ATOM 0 HG3 GLU A 60 5.930 7.704 -2.051 1.00 74.43 H new ATOM 898 N PHE A 61 3.964 5.029 -4.731 1.00 74.51 N ATOM 899 CA PHE A 61 3.744 5.245 -6.155 1.00 23.43 C ATOM 900 C PHE A 61 4.441 6.490 -6.695 1.00 22.22 C ATOM 901 O PHE A 61 4.695 7.454 -5.974 1.00 43.20 O ATOM 902 CB PHE A 61 2.249 5.292 -6.485 1.00 34.32 C ATOM 903 CG PHE A 61 1.861 4.215 -7.471 1.00 14.02 C ATOM 904 CD1 PHE A 61 2.067 2.889 -7.081 1.00 51.31 C ATOM 905 CD2 PHE A 61 1.347 4.494 -8.750 1.00 2.43 C ATOM 906 CE1 PHE A 61 1.786 1.835 -7.956 1.00 31.25 C ATOM 907 CE2 PHE A 61 1.049 3.432 -9.624 1.00 53.30 C ATOM 908 CZ PHE A 61 1.274 2.099 -9.233 1.00 21.55 C ATOM 0 H PHE A 61 3.104 5.019 -4.182 1.00 74.51 H new ATOM 0 HA PHE A 61 4.196 4.388 -6.655 1.00 23.43 H new ATOM 0 HB2 PHE A 61 1.670 5.173 -5.569 1.00 34.32 H new ATOM 0 HB3 PHE A 61 1.997 6.270 -6.896 1.00 34.32 H new ATOM 0 HD1 PHE A 61 2.447 2.676 -6.093 1.00 51.31 H new ATOM 0 HD2 PHE A 61 1.182 5.516 -9.059 1.00 2.43 H new ATOM 0 HE1 PHE A 61 1.964 0.816 -7.647 1.00 31.25 H new ATOM 0 HE2 PHE A 61 0.644 3.642 -10.603 1.00 53.30 H new ATOM 0 HZ PHE A 61 1.054 1.287 -9.911 1.00 21.55 H new ATOM 917 N VAL A 62 4.686 6.505 -8.007 1.00 53.31 N ATOM 918 CA VAL A 62 5.239 7.689 -8.650 1.00 42.30 C ATOM 919 C VAL A 62 4.136 8.759 -8.808 1.00 22.31 C ATOM 920 O VAL A 62 4.442 9.954 -8.772 1.00 32.14 O ATOM 921 CB VAL A 62 5.869 7.312 -10.009 1.00 74.32 C ATOM 922 CG1 VAL A 62 6.569 8.508 -10.665 1.00 3.15 C ATOM 923 CG2 VAL A 62 6.919 6.190 -9.891 1.00 52.33 C ATOM 0 H VAL A 62 4.512 5.720 -8.634 1.00 53.31 H new ATOM 0 HA VAL A 62 6.029 8.109 -8.027 1.00 42.30 H new ATOM 0 HB VAL A 62 5.030 6.972 -10.616 1.00 74.32 H new ATOM 0 HG11 VAL A 62 6.999 8.200 -11.618 1.00 3.15 H new ATOM 0 HG12 VAL A 62 5.845 9.305 -10.834 1.00 3.15 H new ATOM 0 HG13 VAL A 62 7.362 8.870 -10.010 1.00 3.15 H new ATOM 0 HG21 VAL A 62 7.327 5.968 -10.877 1.00 52.33 H new ATOM 0 HG22 VAL A 62 7.723 6.513 -9.230 1.00 52.33 H new ATOM 0 HG23 VAL A 62 6.450 5.295 -9.482 1.00 52.33 H new ATOM 933 N ASP A 63 2.857 8.373 -8.945 1.00 44.44 N ATOM 934 CA ASP A 63 1.737 9.268 -9.270 1.00 23.21 C ATOM 935 C ASP A 63 0.520 8.921 -8.404 1.00 32.32 C ATOM 936 O ASP A 63 0.271 7.743 -8.134 1.00 52.21 O ATOM 937 CB ASP A 63 1.333 9.115 -10.752 1.00 34.52 C ATOM 938 CG ASP A 63 1.520 10.384 -11.576 1.00 62.11 C ATOM 939 OD1 ASP A 63 1.057 11.466 -11.148 1.00 14.34 O ATOM 940 OD2 ASP A 63 2.126 10.306 -12.674 1.00 45.20 O ATOM 0 H ASP A 63 2.567 7.402 -8.829 1.00 44.44 H new ATOM 0 HA ASP A 63 2.059 10.292 -9.079 1.00 23.21 H new ATOM 0 HB2 ASP A 63 1.922 8.313 -11.198 1.00 34.52 H new ATOM 0 HB3 ASP A 63 0.288 8.810 -10.804 1.00 34.52 H new ATOM 944 N VAL A 64 -0.266 9.925 -8.003 1.00 14.05 N ATOM 945 CA VAL A 64 -1.454 9.736 -7.160 1.00 32.52 C ATOM 946 C VAL A 64 -2.623 9.095 -7.925 1.00 30.12 C ATOM 947 O VAL A 64 -3.477 8.470 -7.303 1.00 4.05 O ATOM 948 CB VAL A 64 -1.845 11.056 -6.445 1.00 73.23 C ATOM 949 CG1 VAL A 64 -1.810 12.278 -7.363 1.00 42.43 C ATOM 950 CG2 VAL A 64 -3.222 11.021 -5.771 1.00 21.13 C ATOM 0 H VAL A 64 -0.096 10.899 -8.255 1.00 14.05 H new ATOM 0 HA VAL A 64 -1.194 9.019 -6.381 1.00 32.52 H new ATOM 0 HB VAL A 64 -1.076 11.148 -5.678 1.00 73.23 H new ATOM 0 HG11 VAL A 64 -2.094 13.166 -6.798 1.00 42.43 H new ATOM 0 HG12 VAL A 64 -0.803 12.407 -7.759 1.00 42.43 H new ATOM 0 HG13 VAL A 64 -2.508 12.134 -8.187 1.00 42.43 H new ATOM 0 HG21 VAL A 64 -3.418 11.982 -5.295 1.00 21.13 H new ATOM 0 HG22 VAL A 64 -3.989 10.824 -6.520 1.00 21.13 H new ATOM 0 HG23 VAL A 64 -3.239 10.233 -5.018 1.00 21.13 H new ATOM 960 N SER A 65 -2.672 9.172 -9.259 1.00 73.11 N ATOM 961 CA SER A 65 -3.837 8.720 -10.022 1.00 42.10 C ATOM 962 C SER A 65 -4.174 7.239 -9.815 1.00 31.45 C ATOM 963 O SER A 65 -5.329 6.847 -10.016 1.00 53.14 O ATOM 964 CB SER A 65 -3.644 9.069 -11.503 1.00 11.25 C ATOM 965 OG SER A 65 -2.319 8.799 -11.932 1.00 14.21 O ATOM 0 H SER A 65 -1.915 9.544 -9.833 1.00 73.11 H new ATOM 0 HA SER A 65 -4.707 9.253 -9.638 1.00 42.10 H new ATOM 0 HB2 SER A 65 -4.347 8.496 -12.108 1.00 11.25 H new ATOM 0 HB3 SER A 65 -3.872 10.123 -11.662 1.00 11.25 H new ATOM 0 HG SER A 65 -2.229 9.030 -12.880 1.00 14.21 H new ATOM 970 N SER A 66 -3.206 6.422 -9.394 1.00 42.11 N ATOM 971 CA SER A 66 -3.401 5.005 -9.130 1.00 34.14 C ATOM 972 C SER A 66 -3.739 4.705 -7.654 1.00 21.41 C ATOM 973 O SER A 66 -3.966 3.546 -7.310 1.00 2.25 O ATOM 974 CB SER A 66 -2.153 4.248 -9.592 1.00 71.24 C ATOM 975 OG SER A 66 -1.680 4.741 -10.840 1.00 72.23 O ATOM 0 H SER A 66 -2.251 6.737 -9.226 1.00 42.11 H new ATOM 0 HA SER A 66 -4.270 4.665 -9.693 1.00 34.14 H new ATOM 0 HB2 SER A 66 -1.369 4.343 -8.841 1.00 71.24 H new ATOM 0 HB3 SER A 66 -2.382 3.186 -9.682 1.00 71.24 H new ATOM 0 HG SER A 66 -1.240 4.017 -11.332 1.00 72.23 H new ATOM 980 N VAL A 67 -3.786 5.695 -6.756 1.00 53.20 N ATOM 981 CA VAL A 67 -4.161 5.503 -5.352 1.00 5.04 C ATOM 982 C VAL A 67 -5.595 4.971 -5.257 1.00 3.31 C ATOM 983 O VAL A 67 -5.763 3.861 -4.754 1.00 61.12 O ATOM 984 CB VAL A 67 -3.911 6.780 -4.520 1.00 52.12 C ATOM 985 CG1 VAL A 67 -4.497 6.706 -3.112 1.00 34.51 C ATOM 986 CG2 VAL A 67 -2.403 7.015 -4.371 1.00 65.50 C ATOM 0 H VAL A 67 -3.562 6.663 -6.987 1.00 53.20 H new ATOM 0 HA VAL A 67 -3.517 4.744 -4.908 1.00 5.04 H new ATOM 0 HB VAL A 67 -4.402 7.590 -5.059 1.00 52.12 H new ATOM 0 HG11 VAL A 67 -4.286 7.634 -2.581 1.00 34.51 H new ATOM 0 HG12 VAL A 67 -5.575 6.560 -3.174 1.00 34.51 H new ATOM 0 HG13 VAL A 67 -4.048 5.871 -2.575 1.00 34.51 H new ATOM 0 HG21 VAL A 67 -2.232 7.917 -3.783 1.00 65.50 H new ATOM 0 HG22 VAL A 67 -1.950 6.162 -3.866 1.00 65.50 H new ATOM 0 HG23 VAL A 67 -1.954 7.134 -5.357 1.00 65.50 H new ATOM 996 N PRO A 68 -6.634 5.654 -5.781 1.00 1.24 N ATOM 997 CA PRO A 68 -7.982 5.096 -5.757 1.00 74.33 C ATOM 998 C PRO A 68 -8.106 3.815 -6.588 1.00 45.44 C ATOM 999 O PRO A 68 -9.087 3.088 -6.443 1.00 43.12 O ATOM 1000 CB PRO A 68 -8.902 6.199 -6.277 1.00 2.21 C ATOM 1001 CG PRO A 68 -7.983 7.073 -7.130 1.00 34.42 C ATOM 1002 CD PRO A 68 -6.649 6.976 -6.394 1.00 45.13 C ATOM 0 HA PRO A 68 -8.253 4.794 -4.745 1.00 74.33 H new ATOM 0 HB2 PRO A 68 -9.723 5.790 -6.865 1.00 2.21 H new ATOM 0 HB3 PRO A 68 -9.347 6.766 -5.460 1.00 2.21 H new ATOM 0 HG2 PRO A 68 -7.909 6.704 -8.153 1.00 34.42 H new ATOM 0 HG3 PRO A 68 -8.340 8.101 -7.187 1.00 34.42 H new ATOM 0 HD2 PRO A 68 -5.812 7.099 -7.082 1.00 45.13 H new ATOM 0 HD3 PRO A 68 -6.559 7.758 -5.640 1.00 45.13 H new ATOM 1007 N LEU A 69 -7.133 3.507 -7.455 1.00 64.43 N ATOM 1008 CA LEU A 69 -7.126 2.258 -8.197 1.00 14.42 C ATOM 1009 C LEU A 69 -6.961 1.100 -7.210 1.00 10.22 C ATOM 1010 O LEU A 69 -7.691 0.113 -7.327 1.00 5.11 O ATOM 1011 CB LEU A 69 -6.048 2.290 -9.292 1.00 10.23 C ATOM 1012 CG LEU A 69 -6.481 1.605 -10.598 1.00 41.34 C ATOM 1013 CD1 LEU A 69 -5.467 1.930 -11.700 1.00 74.51 C ATOM 1014 CD2 LEU A 69 -6.631 0.089 -10.473 1.00 33.52 C ATOM 0 H LEU A 69 -6.339 4.116 -7.655 1.00 64.43 H new ATOM 0 HA LEU A 69 -8.072 2.112 -8.718 1.00 14.42 H new ATOM 0 HB2 LEU A 69 -5.787 3.327 -9.504 1.00 10.23 H new ATOM 0 HB3 LEU A 69 -5.147 1.805 -8.918 1.00 10.23 H new ATOM 0 HG LEU A 69 -7.468 1.995 -10.846 1.00 41.34 H new ATOM 0 HD11 LEU A 69 -5.771 1.446 -12.628 1.00 74.51 H new ATOM 0 HD12 LEU A 69 -5.426 3.009 -11.850 1.00 74.51 H new ATOM 0 HD13 LEU A 69 -4.482 1.567 -11.407 1.00 74.51 H new ATOM 0 HD21 LEU A 69 -6.939 -0.327 -11.433 1.00 33.52 H new ATOM 0 HD22 LEU A 69 -5.677 -0.348 -10.177 1.00 33.52 H new ATOM 0 HD23 LEU A 69 -7.384 -0.141 -9.720 1.00 33.52 H new ATOM 1025 N ALA A 70 -6.086 1.249 -6.200 1.00 45.41 N ATOM 1026 CA ALA A 70 -5.869 0.252 -5.160 1.00 62.41 C ATOM 1027 C ALA A 70 -7.142 -0.078 -4.373 1.00 2.31 C ATOM 1028 O ALA A 70 -7.295 -1.219 -3.935 1.00 43.13 O ATOM 1029 CB ALA A 70 -4.759 0.727 -4.215 1.00 14.25 C ATOM 0 H ALA A 70 -5.506 2.081 -6.090 1.00 45.41 H new ATOM 0 HA ALA A 70 -5.566 -0.671 -5.653 1.00 62.41 H new ATOM 0 HB1 ALA A 70 -4.598 -0.020 -3.438 1.00 14.25 H new ATOM 0 HB2 ALA A 70 -3.837 0.868 -4.779 1.00 14.25 H new ATOM 0 HB3 ALA A 70 -5.052 1.671 -3.756 1.00 14.25 H new ATOM 1035 N ILE A 71 -8.089 0.860 -4.249 1.00 42.12 N ATOM 1036 CA ILE A 71 -9.338 0.618 -3.532 1.00 70.51 C ATOM 1037 C ILE A 71 -10.126 -0.480 -4.255 1.00 42.20 C ATOM 1038 O ILE A 71 -10.683 -1.367 -3.604 1.00 54.11 O ATOM 1039 CB ILE A 71 -10.138 1.932 -3.348 1.00 10.21 C ATOM 1040 CG1 ILE A 71 -9.322 2.925 -2.486 1.00 50.04 C ATOM 1041 CG2 ILE A 71 -11.511 1.633 -2.715 1.00 5.22 C ATOM 1042 CD1 ILE A 71 -9.926 4.332 -2.392 1.00 51.34 C ATOM 0 H ILE A 71 -8.009 1.798 -4.640 1.00 42.12 H new ATOM 0 HA ILE A 71 -9.129 0.262 -2.523 1.00 70.51 H new ATOM 0 HB ILE A 71 -10.313 2.391 -4.321 1.00 10.21 H new ATOM 0 HG12 ILE A 71 -9.224 2.518 -1.480 1.00 50.04 H new ATOM 0 HG13 ILE A 71 -8.316 3.002 -2.898 1.00 50.04 H new ATOM 0 HG21 ILE A 71 -12.065 2.564 -2.590 1.00 5.22 H new ATOM 0 HG22 ILE A 71 -12.072 0.961 -3.364 1.00 5.22 H new ATOM 0 HG23 ILE A 71 -11.368 1.163 -1.742 1.00 5.22 H new ATOM 0 HD11 ILE A 71 -9.289 4.960 -1.769 1.00 51.34 H new ATOM 0 HD12 ILE A 71 -9.998 4.764 -3.390 1.00 51.34 H new ATOM 0 HD13 ILE A 71 -10.920 4.272 -1.950 1.00 51.34 H new ATOM 1053 N GLY A 72 -10.146 -0.476 -5.592 1.00 30.45 N ATOM 1054 CA GLY A 72 -10.743 -1.556 -6.377 1.00 5.43 C ATOM 1055 C GLY A 72 -10.018 -2.896 -6.235 1.00 25.43 C ATOM 1056 O GLY A 72 -10.572 -3.926 -6.616 1.00 1.32 O ATOM 0 H GLY A 72 -9.749 0.275 -6.157 1.00 30.45 H new ATOM 0 HA2 GLY A 72 -11.782 -1.682 -6.073 1.00 5.43 H new ATOM 0 HA3 GLY A 72 -10.751 -1.267 -7.428 1.00 5.43 H new ATOM 1060 N LEU A 73 -8.800 -2.907 -5.686 1.00 2.02 N ATOM 1061 CA LEU A 73 -7.957 -4.090 -5.569 1.00 42.33 C ATOM 1062 C LEU A 73 -8.032 -4.723 -4.171 1.00 34.23 C ATOM 1063 O LEU A 73 -7.411 -5.770 -3.970 1.00 23.12 O ATOM 1064 CB LEU A 73 -6.501 -3.764 -5.974 1.00 34.35 C ATOM 1065 CG LEU A 73 -6.315 -3.274 -7.428 1.00 73.42 C ATOM 1066 CD1 LEU A 73 -4.862 -2.853 -7.688 1.00 24.13 C ATOM 1067 CD2 LEU A 73 -6.681 -4.346 -8.458 1.00 41.14 C ATOM 0 H LEU A 73 -8.366 -2.068 -5.302 1.00 2.02 H new ATOM 0 HA LEU A 73 -8.342 -4.837 -6.263 1.00 42.33 H new ATOM 0 HB2 LEU A 73 -6.115 -3.000 -5.298 1.00 34.35 H new ATOM 0 HB3 LEU A 73 -5.892 -4.656 -5.828 1.00 34.35 H new ATOM 0 HG LEU A 73 -6.987 -2.423 -7.541 1.00 73.42 H new ATOM 0 HD11 LEU A 73 -4.761 -2.513 -8.719 1.00 24.13 H new ATOM 0 HD12 LEU A 73 -4.591 -2.043 -7.010 1.00 24.13 H new ATOM 0 HD13 LEU A 73 -4.201 -3.703 -7.520 1.00 24.13 H new ATOM 0 HD21 LEU A 73 -6.533 -3.951 -9.463 1.00 41.14 H new ATOM 0 HD22 LEU A 73 -6.046 -5.220 -8.315 1.00 41.14 H new ATOM 0 HD23 LEU A 73 -7.725 -4.631 -8.331 1.00 41.14 H new ATOM 1078 N THR A 74 -8.808 -4.156 -3.229 1.00 62.34 N ATOM 1079 CA THR A 74 -9.012 -4.691 -1.872 1.00 43.32 C ATOM 1080 C THR A 74 -9.282 -6.203 -1.897 1.00 22.25 C ATOM 1081 O THR A 74 -8.681 -6.969 -1.142 1.00 33.45 O ATOM 1082 CB THR A 74 -10.075 -3.867 -1.110 1.00 41.14 C ATOM 1083 OG1 THR A 74 -10.166 -4.283 0.235 1.00 25.55 O ATOM 1084 CG2 THR A 74 -11.482 -3.898 -1.721 1.00 74.42 C ATOM 0 H THR A 74 -9.323 -3.291 -3.396 1.00 62.34 H new ATOM 0 HA THR A 74 -8.088 -4.579 -1.305 1.00 43.32 H new ATOM 0 HB THR A 74 -9.719 -2.840 -1.185 1.00 41.14 H new ATOM 0 HG1 THR A 74 -9.305 -4.653 0.522 1.00 25.55 H new ATOM 0 HG21 THR A 74 -12.155 -3.291 -1.115 1.00 74.42 H new ATOM 0 HG22 THR A 74 -11.447 -3.500 -2.735 1.00 74.42 H new ATOM 0 HG23 THR A 74 -11.845 -4.926 -1.747 1.00 74.42 H new ATOM 1092 N GLY A 75 -10.155 -6.641 -2.802 1.00 62.34 N ATOM 1093 CA GLY A 75 -10.712 -7.984 -2.805 1.00 71.21 C ATOM 1094 C GLY A 75 -9.925 -8.986 -3.641 1.00 5.43 C ATOM 1095 O GLY A 75 -10.373 -10.121 -3.802 1.00 52.41 O ATOM 0 H GLY A 75 -10.499 -6.059 -3.566 1.00 62.34 H new ATOM 0 HA2 GLY A 75 -10.763 -8.346 -1.778 1.00 71.21 H new ATOM 0 HA3 GLY A 75 -11.735 -7.940 -3.179 1.00 71.21 H new ATOM 1099 N GLN A 76 -8.779 -8.591 -4.195 1.00 45.32 N ATOM 1100 CA GLN A 76 -7.859 -9.535 -4.818 1.00 45.20 C ATOM 1101 C GLN A 76 -7.058 -10.240 -3.726 1.00 31.32 C ATOM 1102 O GLN A 76 -7.397 -10.164 -2.546 1.00 73.30 O ATOM 1103 CB GLN A 76 -6.969 -8.839 -5.851 1.00 2.34 C ATOM 1104 CG GLN A 76 -7.754 -7.888 -6.763 1.00 12.22 C ATOM 1105 CD GLN A 76 -7.116 -7.770 -8.135 1.00 22.12 C ATOM 1106 OE1 GLN A 76 -5.915 -7.897 -8.292 1.00 5.45 O ATOM 1107 NE2 GLN A 76 -7.910 -7.573 -9.171 1.00 32.35 N ATOM 0 H GLN A 76 -8.467 -7.620 -4.224 1.00 45.32 H new ATOM 0 HA GLN A 76 -8.419 -10.290 -5.370 1.00 45.20 H new ATOM 0 HB2 GLN A 76 -6.189 -8.279 -5.335 1.00 2.34 H new ATOM 0 HB3 GLN A 76 -6.470 -9.592 -6.461 1.00 2.34 H new ATOM 0 HG2 GLN A 76 -8.778 -8.247 -6.868 1.00 12.22 H new ATOM 0 HG3 GLN A 76 -7.808 -6.902 -6.301 1.00 12.22 H new ATOM 0 HE21 GLN A 76 -8.915 -7.468 -9.031 1.00 32.35 H new ATOM 0 HE22 GLN A 76 -7.519 -7.526 -10.112 1.00 32.35 H new ATOM 1114 N ARG A 77 -6.041 -11.007 -4.112 1.00 33.45 N ATOM 1115 CA ARG A 77 -5.136 -11.692 -3.203 1.00 54.12 C ATOM 1116 C ARG A 77 -3.848 -11.937 -3.962 1.00 21.02 C ATOM 1117 O ARG A 77 -3.885 -12.575 -5.013 1.00 4.32 O ATOM 1118 CB ARG A 77 -5.768 -12.993 -2.673 1.00 73.10 C ATOM 1119 CG ARG A 77 -6.565 -13.776 -3.730 1.00 65.31 C ATOM 1120 CD ARG A 77 -7.084 -15.105 -3.169 1.00 11.44 C ATOM 1121 NE ARG A 77 -8.477 -15.350 -3.581 1.00 64.21 N ATOM 1122 CZ ARG A 77 -9.573 -15.332 -2.808 1.00 25.11 C ATOM 1123 NH1 ARG A 77 -9.516 -15.135 -1.495 1.00 45.44 N ATOM 1124 NH2 ARG A 77 -10.769 -15.530 -3.348 1.00 11.14 N ATOM 0 H ARG A 77 -5.821 -11.171 -5.094 1.00 33.45 H new ATOM 0 HA ARG A 77 -4.930 -11.087 -2.320 1.00 54.12 H new ATOM 0 HB2 ARG A 77 -4.979 -13.634 -2.279 1.00 73.10 H new ATOM 0 HB3 ARG A 77 -6.428 -12.751 -1.840 1.00 73.10 H new ATOM 0 HG2 ARG A 77 -7.405 -13.173 -4.075 1.00 65.31 H new ATOM 0 HG3 ARG A 77 -5.932 -13.968 -4.597 1.00 65.31 H new ATOM 0 HD2 ARG A 77 -6.451 -15.921 -3.516 1.00 11.44 H new ATOM 0 HD3 ARG A 77 -7.021 -15.093 -2.081 1.00 11.44 H new ATOM 0 HE ARG A 77 -8.625 -15.557 -4.569 1.00 64.21 H new ATOM 0 HH11 ARG A 77 -8.615 -14.990 -1.040 1.00 45.44 H new ATOM 0 HH12 ARG A 77 -10.373 -15.129 -0.943 1.00 45.44 H new ATOM 0 HH21 ARG A 77 -10.855 -15.696 -4.351 1.00 11.14 H new ATOM 0 HH22 ARG A 77 -11.603 -15.516 -2.760 1.00 11.14 H new ATOM 1135 N VAL A 78 -2.729 -11.422 -3.475 1.00 63.32 N ATOM 1136 CA VAL A 78 -1.435 -11.547 -4.123 1.00 5.44 C ATOM 1137 C VAL A 78 -0.797 -12.829 -3.614 1.00 5.41 C ATOM 1138 O VAL A 78 -0.293 -12.883 -2.493 1.00 72.42 O ATOM 1139 CB VAL A 78 -0.572 -10.294 -3.866 1.00 33.34 C ATOM 1140 CG1 VAL A 78 0.748 -10.349 -4.649 1.00 34.35 C ATOM 1141 CG2 VAL A 78 -1.343 -9.040 -4.282 1.00 2.02 C ATOM 0 H VAL A 78 -2.696 -10.896 -2.602 1.00 63.32 H new ATOM 0 HA VAL A 78 -1.536 -11.609 -5.207 1.00 5.44 H new ATOM 0 HB VAL A 78 -0.343 -10.262 -2.801 1.00 33.34 H new ATOM 0 HG11 VAL A 78 1.330 -9.451 -4.444 1.00 34.35 H new ATOM 0 HG12 VAL A 78 1.316 -11.227 -4.343 1.00 34.35 H new ATOM 0 HG13 VAL A 78 0.536 -10.408 -5.716 1.00 34.35 H new ATOM 0 HG21 VAL A 78 -0.729 -8.158 -4.099 1.00 2.02 H new ATOM 0 HG22 VAL A 78 -1.587 -9.098 -5.343 1.00 2.02 H new ATOM 0 HG23 VAL A 78 -2.263 -8.969 -3.702 1.00 2.02 H new ATOM 1151 N LEU A 79 -0.927 -13.904 -4.388 1.00 30.35 N ATOM 1152 CA LEU A 79 -0.572 -15.275 -4.014 1.00 34.15 C ATOM 1153 C LEU A 79 -1.214 -15.734 -2.702 1.00 31.02 C ATOM 1154 O LEU A 79 -0.830 -16.776 -2.166 1.00 63.12 O ATOM 1155 CB LEU A 79 0.950 -15.527 -4.061 1.00 1.43 C ATOM 1156 CG LEU A 79 1.733 -14.985 -5.274 1.00 12.15 C ATOM 1157 CD1 LEU A 79 3.167 -15.522 -5.224 1.00 13.25 C ATOM 1158 CD2 LEU A 79 1.109 -15.390 -6.612 1.00 70.42 C ATOM 0 H LEU A 79 -1.299 -13.843 -5.336 1.00 30.35 H new ATOM 0 HA LEU A 79 -1.009 -15.912 -4.783 1.00 34.15 H new ATOM 0 HB2 LEU A 79 1.388 -15.097 -3.160 1.00 1.43 H new ATOM 0 HB3 LEU A 79 1.113 -16.604 -4.012 1.00 1.43 H new ATOM 0 HG LEU A 79 1.710 -13.897 -5.212 1.00 12.15 H new ATOM 0 HD11 LEU A 79 3.727 -15.143 -6.079 1.00 13.25 H new ATOM 0 HD12 LEU A 79 3.646 -15.194 -4.302 1.00 13.25 H new ATOM 0 HD13 LEU A 79 3.149 -16.611 -5.256 1.00 13.25 H new ATOM 0 HD21 LEU A 79 1.703 -14.980 -7.429 1.00 70.42 H new ATOM 0 HD22 LEU A 79 1.087 -16.477 -6.689 1.00 70.42 H new ATOM 0 HD23 LEU A 79 0.092 -15.001 -6.672 1.00 70.42 H new ATOM 1169 N GLY A 80 -2.243 -15.032 -2.220 1.00 53.20 N ATOM 1170 CA GLY A 80 -2.898 -15.311 -0.955 1.00 1.14 C ATOM 1171 C GLY A 80 -2.986 -14.085 -0.039 1.00 50.50 C ATOM 1172 O GLY A 80 -3.611 -14.170 1.019 1.00 53.32 O ATOM 0 H GLY A 80 -2.647 -14.237 -2.715 1.00 53.20 H new ATOM 0 HA2 GLY A 80 -3.903 -15.685 -1.148 1.00 1.14 H new ATOM 0 HA3 GLY A 80 -2.356 -16.104 -0.439 1.00 1.14 H new ATOM 1176 N VAL A 81 -2.420 -12.946 -0.450 1.00 53.11 N ATOM 1177 CA VAL A 81 -2.292 -11.709 0.315 1.00 30.44 C ATOM 1178 C VAL A 81 -3.252 -10.631 -0.207 1.00 13.53 C ATOM 1179 O VAL A 81 -2.880 -9.895 -1.120 1.00 51.50 O ATOM 1180 CB VAL A 81 -0.817 -11.270 0.355 1.00 51.53 C ATOM 1181 CG1 VAL A 81 -0.639 -9.911 1.033 1.00 5.13 C ATOM 1182 CG2 VAL A 81 -0.022 -12.317 1.141 1.00 61.30 C ATOM 0 H VAL A 81 -2.016 -12.862 -1.383 1.00 53.11 H new ATOM 0 HA VAL A 81 -2.594 -11.882 1.348 1.00 30.44 H new ATOM 0 HB VAL A 81 -0.461 -11.182 -0.671 1.00 51.53 H new ATOM 0 HG11 VAL A 81 0.417 -9.642 1.038 1.00 5.13 H new ATOM 0 HG12 VAL A 81 -1.203 -9.155 0.487 1.00 5.13 H new ATOM 0 HG13 VAL A 81 -1.004 -9.965 2.058 1.00 5.13 H new ATOM 0 HG21 VAL A 81 1.027 -12.023 1.180 1.00 61.30 H new ATOM 0 HG22 VAL A 81 -0.417 -12.389 2.154 1.00 61.30 H new ATOM 0 HG23 VAL A 81 -0.109 -13.285 0.648 1.00 61.30 H new ATOM 1192 N PRO A 82 -4.512 -10.575 0.254 1.00 2.45 N ATOM 1193 CA PRO A 82 -5.407 -9.463 -0.061 1.00 4.14 C ATOM 1194 C PRO A 82 -4.863 -8.133 0.474 1.00 51.34 C ATOM 1195 O PRO A 82 -3.860 -8.102 1.198 1.00 2.25 O ATOM 1196 CB PRO A 82 -6.741 -9.849 0.581 1.00 10.21 C ATOM 1197 CG PRO A 82 -6.334 -10.716 1.767 1.00 2.25 C ATOM 1198 CD PRO A 82 -5.123 -11.461 1.233 1.00 5.22 C ATOM 0 HA PRO A 82 -5.511 -9.304 -1.134 1.00 4.14 H new ATOM 0 HB2 PRO A 82 -7.301 -8.970 0.901 1.00 10.21 H new ATOM 0 HB3 PRO A 82 -7.377 -10.396 -0.115 1.00 10.21 H new ATOM 0 HG2 PRO A 82 -6.087 -10.115 2.642 1.00 2.25 H new ATOM 0 HG3 PRO A 82 -7.131 -11.398 2.063 1.00 2.25 H new ATOM 0 HD2 PRO A 82 -4.425 -11.698 2.036 1.00 5.22 H new ATOM 0 HD3 PRO A 82 -5.416 -12.406 0.776 1.00 5.22 H new ATOM 1203 N ILE A 83 -5.545 -7.025 0.179 1.00 62.41 N ATOM 1204 CA ILE A 83 -5.162 -5.693 0.646 1.00 33.23 C ATOM 1205 C ILE A 83 -6.344 -5.014 1.338 1.00 25.32 C ATOM 1206 O ILE A 83 -7.482 -5.464 1.230 1.00 31.24 O ATOM 1207 CB ILE A 83 -4.503 -4.901 -0.510 1.00 54.04 C ATOM 1208 CG1 ILE A 83 -3.732 -3.678 0.028 1.00 11.03 C ATOM 1209 CG2 ILE A 83 -5.483 -4.510 -1.627 1.00 31.21 C ATOM 1210 CD1 ILE A 83 -2.803 -3.049 -1.004 1.00 54.02 C ATOM 0 H ILE A 83 -6.387 -7.028 -0.397 1.00 62.41 H new ATOM 0 HA ILE A 83 -4.395 -5.749 1.418 1.00 33.23 H new ATOM 0 HB ILE A 83 -3.789 -5.580 -0.977 1.00 54.04 H new ATOM 0 HG12 ILE A 83 -4.446 -2.928 0.369 1.00 11.03 H new ATOM 0 HG13 ILE A 83 -3.147 -3.979 0.897 1.00 11.03 H new ATOM 0 HG21 ILE A 83 -4.950 -3.958 -2.402 1.00 31.21 H new ATOM 0 HG22 ILE A 83 -5.921 -5.410 -2.059 1.00 31.21 H new ATOM 0 HG23 ILE A 83 -6.274 -3.884 -1.214 1.00 31.21 H new ATOM 0 HD11 ILE A 83 -2.292 -2.195 -0.561 1.00 54.02 H new ATOM 0 HD12 ILE A 83 -2.067 -3.785 -1.327 1.00 54.02 H new ATOM 0 HD13 ILE A 83 -3.385 -2.717 -1.864 1.00 54.02 H new ATOM 1221 N ILE A 84 -6.076 -3.955 2.095 1.00 21.55 N ATOM 1222 CA ILE A 84 -7.091 -3.120 2.721 1.00 54.32 C ATOM 1223 C ILE A 84 -7.246 -1.880 1.840 1.00 1.21 C ATOM 1224 O ILE A 84 -6.240 -1.310 1.421 1.00 23.42 O ATOM 1225 CB ILE A 84 -6.643 -2.767 4.163 1.00 62.23 C ATOM 1226 CG1 ILE A 84 -6.421 -4.012 5.039 1.00 14.15 C ATOM 1227 CG2 ILE A 84 -7.627 -1.837 4.887 1.00 24.23 C ATOM 1228 CD1 ILE A 84 -7.650 -4.888 5.270 1.00 61.33 C ATOM 0 H ILE A 84 -5.124 -3.648 2.294 1.00 21.55 H new ATOM 0 HA ILE A 84 -8.053 -3.626 2.804 1.00 54.32 H new ATOM 0 HB ILE A 84 -5.695 -2.246 4.029 1.00 62.23 H new ATOM 0 HG12 ILE A 84 -5.644 -4.623 4.580 1.00 14.15 H new ATOM 0 HG13 ILE A 84 -6.041 -3.688 6.008 1.00 14.15 H new ATOM 0 HG21 ILE A 84 -7.258 -1.627 5.891 1.00 24.23 H new ATOM 0 HG22 ILE A 84 -7.721 -0.903 4.332 1.00 24.23 H new ATOM 0 HG23 ILE A 84 -8.602 -2.319 4.953 1.00 24.23 H new ATOM 0 HD11 ILE A 84 -7.379 -5.736 5.900 1.00 61.33 H new ATOM 0 HD12 ILE A 84 -8.426 -4.303 5.763 1.00 61.33 H new ATOM 0 HD13 ILE A 84 -8.023 -5.252 4.312 1.00 61.33 H new ATOM 1239 N VAL A 85 -8.481 -1.414 1.654 1.00 13.02 N ATOM 1240 CA VAL A 85 -8.862 -0.146 1.024 1.00 21.43 C ATOM 1241 C VAL A 85 -8.038 1.075 1.477 1.00 74.21 C ATOM 1242 O VAL A 85 -7.905 2.001 0.683 1.00 25.25 O ATOM 1243 CB VAL A 85 -10.378 0.037 1.294 1.00 52.44 C ATOM 1244 CG1 VAL A 85 -10.934 1.452 1.075 1.00 43.22 C ATOM 1245 CG2 VAL A 85 -11.179 -0.954 0.441 1.00 34.25 C ATOM 0 H VAL A 85 -9.296 -1.946 1.959 1.00 13.02 H new ATOM 0 HA VAL A 85 -8.644 -0.200 -0.043 1.00 21.43 H new ATOM 0 HB VAL A 85 -10.492 -0.155 2.361 1.00 52.44 H new ATOM 0 HG11 VAL A 85 -12.002 1.461 1.293 1.00 43.22 H new ATOM 0 HG12 VAL A 85 -10.422 2.151 1.737 1.00 43.22 H new ATOM 0 HG13 VAL A 85 -10.773 1.750 0.039 1.00 43.22 H new ATOM 0 HG21 VAL A 85 -12.244 -0.822 0.634 1.00 34.25 H new ATOM 0 HG22 VAL A 85 -10.976 -0.773 -0.614 1.00 34.25 H new ATOM 0 HG23 VAL A 85 -10.887 -1.973 0.697 1.00 34.25 H new ATOM 1255 N GLN A 86 -7.440 1.069 2.677 1.00 52.03 N ATOM 1256 CA GLN A 86 -6.938 2.242 3.398 1.00 1.23 C ATOM 1257 C GLN A 86 -6.165 3.217 2.506 1.00 32.41 C ATOM 1258 O GLN A 86 -6.515 4.396 2.485 1.00 73.42 O ATOM 1259 CB GLN A 86 -6.068 1.791 4.594 1.00 25.53 C ATOM 1260 CG GLN A 86 -6.869 1.722 5.904 1.00 51.00 C ATOM 1261 CD GLN A 86 -6.000 1.470 7.138 1.00 12.34 C ATOM 1262 OE1 GLN A 86 -5.985 0.387 7.722 1.00 25.45 O ATOM 1263 NE2 GLN A 86 -5.269 2.473 7.587 1.00 42.21 N ATOM 0 H GLN A 86 -7.287 0.203 3.194 1.00 52.03 H new ATOM 0 HA GLN A 86 -7.809 2.789 3.760 1.00 1.23 H new ATOM 0 HB2 GLN A 86 -5.640 0.812 4.380 1.00 25.53 H new ATOM 0 HB3 GLN A 86 -5.235 2.483 4.716 1.00 25.53 H new ATOM 0 HG2 GLN A 86 -7.413 2.657 6.037 1.00 51.00 H new ATOM 0 HG3 GLN A 86 -7.612 0.929 5.825 1.00 51.00 H new ATOM 0 HE21 GLN A 86 -5.282 3.370 7.102 1.00 42.21 H new ATOM 0 HE22 GLN A 86 -4.691 2.351 8.419 1.00 42.21 H new ATOM 1270 N ALA A 87 -5.174 2.724 1.752 1.00 61.23 N ATOM 1271 CA ALA A 87 -4.408 3.493 0.777 1.00 74.20 C ATOM 1272 C ALA A 87 -3.763 4.741 1.394 1.00 45.10 C ATOM 1273 O ALA A 87 -3.879 5.828 0.828 1.00 42.11 O ATOM 1274 CB ALA A 87 -5.293 3.798 -0.441 1.00 52.30 C ATOM 0 H ALA A 87 -4.878 1.749 1.809 1.00 61.23 H new ATOM 0 HA ALA A 87 -3.565 2.893 0.434 1.00 74.20 H new ATOM 0 HB1 ALA A 87 -4.722 4.373 -1.171 1.00 52.30 H new ATOM 0 HB2 ALA A 87 -5.624 2.863 -0.894 1.00 52.30 H new ATOM 0 HB3 ALA A 87 -6.162 4.375 -0.124 1.00 52.30 H new ATOM 1280 N SER A 88 -3.080 4.584 2.541 1.00 73.14 N ATOM 1281 CA SER A 88 -2.531 5.728 3.275 1.00 14.35 C ATOM 1282 C SER A 88 -3.671 6.725 3.536 1.00 2.05 C ATOM 1283 O SER A 88 -4.805 6.293 3.756 1.00 43.32 O ATOM 1284 CB SER A 88 -1.240 6.217 2.588 1.00 45.41 C ATOM 1285 OG SER A 88 -0.514 7.154 3.361 1.00 65.52 O ATOM 0 H SER A 88 -2.898 3.679 2.975 1.00 73.14 H new ATOM 0 HA SER A 88 -2.171 5.489 4.276 1.00 14.35 H new ATOM 0 HB2 SER A 88 -0.602 5.359 2.377 1.00 45.41 H new ATOM 0 HB3 SER A 88 -1.496 6.668 1.629 1.00 45.41 H new ATOM 0 HG SER A 88 0.293 7.424 2.874 1.00 65.52 H new ATOM 1290 N GLN A 89 -3.345 8.004 3.671 1.00 3.04 N ATOM 1291 CA GLN A 89 -4.259 9.122 3.553 1.00 34.32 C ATOM 1292 C GLN A 89 -5.521 8.966 4.406 1.00 52.20 C ATOM 1293 O GLN A 89 -6.591 8.614 3.902 1.00 4.45 O ATOM 1294 CB GLN A 89 -4.595 9.318 2.078 1.00 31.53 C ATOM 1295 CG GLN A 89 -3.451 9.700 1.146 1.00 12.05 C ATOM 1296 CD GLN A 89 -3.924 9.982 -0.277 1.00 22.21 C ATOM 1297 OE1 GLN A 89 -3.324 9.537 -1.241 1.00 34.52 O ATOM 1298 NE2 GLN A 89 -5.013 10.694 -0.495 1.00 30.45 N ATOM 0 H GLN A 89 -2.390 8.299 3.875 1.00 3.04 H new ATOM 0 HA GLN A 89 -3.765 10.011 3.945 1.00 34.32 H new ATOM 0 HB2 GLN A 89 -5.038 8.394 1.707 1.00 31.53 H new ATOM 0 HB3 GLN A 89 -5.361 10.090 2.006 1.00 31.53 H new ATOM 0 HG2 GLN A 89 -2.946 10.583 1.539 1.00 12.05 H new ATOM 0 HG3 GLN A 89 -2.717 8.894 1.128 1.00 12.05 H new ATOM 0 HE21 GLN A 89 -5.536 11.079 0.291 1.00 30.45 H new ATOM 0 HE22 GLN A 89 -5.332 10.859 -1.450 1.00 30.45 H new ATOM 1305 N ALA A 90 -5.425 9.190 5.717 1.00 53.00 N ATOM 1306 CA ALA A 90 -6.587 9.092 6.587 1.00 72.51 C ATOM 1307 C ALA A 90 -6.449 9.948 7.838 1.00 43.01 C ATOM 1308 O ALA A 90 -5.353 10.360 8.217 1.00 3.04 O ATOM 1309 CB ALA A 90 -6.791 7.632 7.010 1.00 41.21 C ATOM 0 H ALA A 90 -4.558 9.439 6.193 1.00 53.00 H new ATOM 0 HA ALA A 90 -7.444 9.457 6.021 1.00 72.51 H new ATOM 0 HB1 ALA A 90 -7.662 7.560 7.662 1.00 41.21 H new ATOM 0 HB2 ALA A 90 -6.948 7.015 6.125 1.00 41.21 H new ATOM 0 HB3 ALA A 90 -5.908 7.281 7.544 1.00 41.21 H new ATOM 1315 N GLU A 91 -7.556 10.076 8.563 1.00 3.03 N ATOM 1316 CA GLU A 91 -7.615 10.433 9.973 1.00 51.23 C ATOM 1317 C GLU A 91 -7.843 9.181 10.844 1.00 65.23 C ATOM 1318 O GLU A 91 -8.099 9.264 12.043 1.00 73.54 O ATOM 1319 CB GLU A 91 -8.741 11.457 10.100 1.00 65.10 C ATOM 1320 CG GLU A 91 -8.810 12.157 11.466 1.00 13.04 C ATOM 1321 CD GLU A 91 -10.149 11.958 12.187 1.00 13.45 C ATOM 1322 OE1 GLU A 91 -11.214 11.972 11.514 1.00 50.13 O ATOM 1323 OE2 GLU A 91 -10.153 11.804 13.434 1.00 71.42 O ATOM 0 H GLU A 91 -8.481 9.926 8.161 1.00 3.03 H new ATOM 0 HA GLU A 91 -6.678 10.862 10.329 1.00 51.23 H new ATOM 0 HB2 GLU A 91 -8.618 12.212 9.324 1.00 65.10 H new ATOM 0 HB3 GLU A 91 -9.692 10.959 9.912 1.00 65.10 H new ATOM 0 HG2 GLU A 91 -8.006 11.782 12.099 1.00 13.04 H new ATOM 0 HG3 GLU A 91 -8.635 13.224 11.328 1.00 13.04 H new ATOM 1328 N LYS A 92 -7.765 8.003 10.234 1.00 42.40 N ATOM 1329 CA LYS A 92 -7.929 6.714 10.895 1.00 30.53 C ATOM 1330 C LYS A 92 -6.766 6.475 11.855 1.00 54.33 C ATOM 1331 O LYS A 92 -5.664 6.993 11.641 1.00 30.12 O ATOM 1332 CB LYS A 92 -7.989 5.600 9.836 1.00 64.54 C ATOM 1333 CG LYS A 92 -9.270 5.652 8.986 1.00 5.01 C ATOM 1334 CD LYS A 92 -10.419 4.893 9.666 1.00 64.24 C ATOM 1335 CE LYS A 92 -11.769 5.071 8.962 1.00 2.04 C ATOM 1336 NZ LYS A 92 -11.739 4.699 7.532 1.00 2.01 N ATOM 0 H LYS A 92 -7.580 7.917 9.235 1.00 42.40 H new ATOM 0 HA LYS A 92 -8.858 6.710 11.466 1.00 30.53 H new ATOM 0 HB2 LYS A 92 -7.121 5.680 9.182 1.00 64.54 H new ATOM 0 HB3 LYS A 92 -7.926 4.631 10.331 1.00 64.54 H new ATOM 0 HG2 LYS A 92 -9.561 6.690 8.825 1.00 5.01 H new ATOM 0 HG3 LYS A 92 -9.076 5.220 8.004 1.00 5.01 H new ATOM 0 HD2 LYS A 92 -10.173 3.832 9.700 1.00 64.24 H new ATOM 0 HD3 LYS A 92 -10.508 5.233 10.698 1.00 64.24 H new ATOM 0 HE2 LYS A 92 -12.519 4.466 9.472 1.00 2.04 H new ATOM 0 HE3 LYS A 92 -12.083 6.111 9.053 1.00 2.04 H new ATOM 0 HZ1 LYS A 92 -12.693 4.794 7.128 1.00 2.01 H new ATOM 0 HZ2 LYS A 92 -11.084 5.327 7.024 1.00 2.01 H new ATOM 0 HZ3 LYS A 92 -11.419 3.714 7.436 1.00 2.01 H new ATOM 1346 N ASN A 93 -6.962 5.631 12.864 1.00 33.44 N ATOM 1347 CA ASN A 93 -5.895 4.970 13.592 1.00 71.42 C ATOM 1348 C ASN A 93 -6.419 3.632 14.094 1.00 2.33 C ATOM 1349 O ASN A 93 -7.587 3.524 14.485 1.00 41.10 O ATOM 1350 CB ASN A 93 -5.332 5.828 14.748 1.00 60.44 C ATOM 1351 CG ASN A 93 -6.331 6.358 15.779 1.00 11.24 C ATOM 1352 OD1 ASN A 93 -7.155 5.517 16.372 1.00 14.31 O flip ATOM 1353 ND2 ASN A 93 -6.343 7.555 16.072 1.00 62.34 N flip ATOM 0 H ASN A 93 -7.892 5.385 13.203 1.00 33.44 H new ATOM 0 HA ASN A 93 -5.055 4.815 12.915 1.00 71.42 H new ATOM 0 HB2 ASN A 93 -4.585 5.235 15.276 1.00 60.44 H new ATOM 0 HB3 ASN A 93 -4.812 6.681 14.313 1.00 60.44 H new ATOM 0 HD21 ASN A 93 -5.703 8.200 15.609 1.00 62.34 H new ATOM 0 HD22 ASN A 93 -6.993 7.901 16.778 1.00 62.34 H new ATOM 1359 N ARG A 94 -5.507 2.663 14.165 1.00 25.22 N ATOM 1360 CA ARG A 94 -5.614 1.414 14.917 1.00 45.11 C ATOM 1361 C ARG A 94 -6.987 0.800 14.709 1.00 14.31 C ATOM 1362 O ARG A 94 -7.423 0.684 13.542 1.00 70.13 O ATOM 1363 CB ARG A 94 -5.182 1.733 16.367 1.00 3.01 C ATOM 1364 CG ARG A 94 -5.030 0.557 17.352 1.00 53.22 C ATOM 1365 CD ARG A 94 -4.038 0.929 18.478 1.00 53.13 C ATOM 1366 NE ARG A 94 -4.557 0.739 19.844 1.00 75.20 N ATOM 1367 CZ ARG A 94 -4.231 1.465 20.924 1.00 23.54 C ATOM 1368 NH1 ARG A 94 -3.657 2.659 20.815 1.00 53.20 N ATOM 1369 NH2 ARG A 94 -4.440 0.996 22.150 1.00 3.45 N ATOM 0 H ARG A 94 -4.619 2.734 13.668 1.00 25.22 H new ATOM 0 HA ARG A 94 -4.949 0.623 14.572 1.00 45.11 H new ATOM 0 HB2 ARG A 94 -4.227 2.258 16.323 1.00 3.01 H new ATOM 0 HB3 ARG A 94 -5.909 2.428 16.787 1.00 3.01 H new ATOM 0 HG2 ARG A 94 -6.000 0.304 17.781 1.00 53.22 H new ATOM 0 HG3 ARG A 94 -4.675 -0.327 16.822 1.00 53.22 H new ATOM 0 HD2 ARG A 94 -3.135 0.330 18.361 1.00 53.13 H new ATOM 0 HD3 ARG A 94 -3.746 1.972 18.357 1.00 53.13 H new ATOM 0 HE ARG A 94 -5.228 -0.017 19.982 1.00 75.20 H new ATOM 0 HH11 ARG A 94 -3.454 3.045 19.893 1.00 53.20 H new ATOM 0 HH12 ARG A 94 -3.420 3.189 21.653 1.00 53.20 H new ATOM 0 HH21 ARG A 94 -4.853 0.073 22.279 1.00 3.45 H new ATOM 0 HH22 ARG A 94 -4.187 1.560 22.962 1.00 3.45 H new TER 1380 ARG A 94