USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 541 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 10 GLN : amide:sc= 0 X(o=-0.33,f=-0.59) USER MOD Set 1.2: A 13 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 3 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.0082) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.0773 (180deg=-0.537) USER MOD Single : A 14 MET CE :methyl 156:sc= -0.254 (180deg=-0.884) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0285 (180deg=-0.273) USER MOD Single : A 17 THR OG1 : rot 53:sc= -0.0763 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.459 K(o=0.46,f=-5.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 22:sc= 0.844 USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.0436 (180deg=-0.727) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= -0.15 (180deg=-0.85) USER MOD Single : A 42 SER OG : rot 56:sc= 0.803 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0074 (180deg=-0.155) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.0275 (180deg=0.00697) USER MOD Single : A 62 GLN : amide:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.771 -25.964 10.588 1.00 12.45 N ATOM 2 CA PRO A 1 7.885 -25.584 9.715 1.00 62.11 C ATOM 3 C PRO A 1 8.016 -26.507 8.508 1.00 21.02 C ATOM 4 O PRO A 1 7.249 -27.458 8.356 1.00 25.45 O ATOM 5 CB PRO A 1 9.109 -25.716 10.624 1.00 5.12 C ATOM 6 CG PRO A 1 8.708 -26.711 11.658 1.00 2.30 C ATOM 7 CD PRO A 1 7.234 -26.511 11.875 1.00 53.41 C ATOM 0 H2 PRO A 1 6.191 -26.657 10.115 1.00 12.45 H new ATOM 0 H3 PRO A 1 6.182 -25.149 10.759 1.00 12.45 H new ATOM 0 HA PRO A 1 7.753 -24.586 9.297 1.00 62.11 H new ATOM 0 HB2 PRO A 1 9.982 -26.055 10.066 1.00 5.12 H new ATOM 0 HB3 PRO A 1 9.371 -24.759 11.076 1.00 5.12 H new ATOM 0 HG2 PRO A 1 8.919 -27.727 11.324 1.00 2.30 H new ATOM 0 HG3 PRO A 1 9.263 -26.557 12.583 1.00 2.30 H new ATOM 0 HD2 PRO A 1 6.733 -27.448 12.117 1.00 53.41 H new ATOM 0 HD3 PRO A 1 7.039 -25.823 12.698 1.00 53.41 H new ATOM 15 N ARG A 2 8.992 -26.220 7.653 1.00 72.23 N ATOM 16 CA ARG A 2 9.222 -27.025 6.459 1.00 41.43 C ATOM 17 C ARG A 2 8.018 -26.967 5.524 1.00 74.12 C ATOM 18 O ARG A 2 7.003 -27.620 5.762 1.00 31.50 O ATOM 19 CB ARG A 2 9.513 -28.476 6.844 1.00 22.12 C ATOM 20 CG ARG A 2 10.421 -29.197 5.861 1.00 31.01 C ATOM 21 CD ARG A 2 11.137 -30.367 6.518 1.00 12.44 C ATOM 22 NE ARG A 2 10.350 -31.595 6.456 1.00 74.11 N ATOM 23 CZ ARG A 2 10.158 -32.290 5.340 1.00 44.53 C ATOM 24 NH1 ARG A 2 10.695 -31.878 4.199 1.00 21.42 N ATOM 25 NH2 ARG A 2 9.429 -33.398 5.363 1.00 25.02 N ATOM 0 H ARG A 2 9.636 -25.437 7.765 1.00 72.23 H new ATOM 0 HA ARG A 2 10.086 -26.615 5.936 1.00 41.43 H new ATOM 0 HB2 ARG A 2 9.973 -28.496 7.832 1.00 22.12 H new ATOM 0 HB3 ARG A 2 8.571 -29.019 6.920 1.00 22.12 H new ATOM 0 HG2 ARG A 2 9.832 -29.557 5.017 1.00 31.01 H new ATOM 0 HG3 ARG A 2 11.155 -28.497 5.462 1.00 31.01 H new ATOM 0 HD2 ARG A 2 12.097 -30.527 6.027 1.00 12.44 H new ATOM 0 HD3 ARG A 2 11.348 -30.124 7.559 1.00 12.44 H new ATOM 0 HE ARG A 2 9.924 -31.938 7.317 1.00 74.11 H new ATOM 0 HH11 ARG A 2 11.256 -31.027 4.178 1.00 21.42 H new ATOM 0 HH12 ARG A 2 10.547 -32.413 3.343 1.00 21.42 H new ATOM 0 HH21 ARG A 2 9.015 -33.718 6.238 1.00 25.02 H new ATOM 0 HH22 ARG A 2 9.283 -33.930 4.505 1.00 25.02 H new ATOM 39 N ASN A 3 8.138 -26.180 4.460 1.00 61.15 N ATOM 40 CA ASN A 3 7.059 -26.036 3.489 1.00 31.22 C ATOM 41 C ASN A 3 7.033 -27.219 2.526 1.00 54.24 C ATOM 42 O ASN A 3 8.056 -27.860 2.284 1.00 75.54 O ATOM 43 CB ASN A 3 7.218 -24.731 2.708 1.00 45.44 C ATOM 44 CG ASN A 3 7.521 -23.550 3.610 1.00 55.20 C ATOM 45 OD1 ASN A 3 6.615 -22.947 4.187 1.00 71.44 O ATOM 46 ND2 ASN A 3 8.799 -23.213 3.736 1.00 70.41 N ATOM 0 H ASN A 3 8.972 -25.632 4.248 1.00 61.15 H new ATOM 0 HA ASN A 3 6.115 -26.012 4.033 1.00 31.22 H new ATOM 0 HB2 ASN A 3 8.020 -24.843 1.979 1.00 45.44 H new ATOM 0 HB3 ASN A 3 6.304 -24.532 2.148 1.00 45.44 H new ATOM 0 HD21 ASN A 3 9.063 -22.427 4.329 1.00 70.41 H new ATOM 0 HD22 ASN A 3 9.517 -23.741 3.239 1.00 70.41 H new ATOM 53 N THR A 4 5.855 -27.502 1.977 1.00 62.11 N ATOM 54 CA THR A 4 5.694 -28.607 1.040 1.00 25.14 C ATOM 55 C THR A 4 6.359 -28.296 -0.296 1.00 21.42 C ATOM 56 O THR A 4 6.748 -29.203 -1.032 1.00 60.21 O ATOM 57 CB THR A 4 4.207 -28.927 0.799 1.00 62.11 C ATOM 58 OG1 THR A 4 3.461 -28.727 2.005 1.00 40.04 O ATOM 59 CG2 THR A 4 4.033 -30.361 0.321 1.00 52.33 C ATOM 0 H THR A 4 4.999 -26.981 2.165 1.00 62.11 H new ATOM 0 HA THR A 4 6.176 -29.475 1.489 1.00 25.14 H new ATOM 0 HB THR A 4 3.834 -28.255 0.026 1.00 62.11 H new ATOM 0 HG1 THR A 4 2.516 -28.931 1.843 1.00 40.04 H new ATOM 0 HG21 THR A 4 2.975 -30.564 0.157 1.00 52.33 H new ATOM 0 HG22 THR A 4 4.578 -30.502 -0.612 1.00 52.33 H new ATOM 0 HG23 THR A 4 4.421 -31.046 1.075 1.00 52.33 H new ATOM 67 N ARG A 5 6.487 -27.010 -0.603 1.00 10.32 N ATOM 68 CA ARG A 5 7.105 -26.580 -1.851 1.00 53.15 C ATOM 69 C ARG A 5 8.481 -27.216 -2.024 1.00 51.14 C ATOM 70 O ARG A 5 8.871 -27.581 -3.133 1.00 31.22 O ATOM 71 CB ARG A 5 7.228 -25.055 -1.886 1.00 74.42 C ATOM 72 CG ARG A 5 7.299 -24.482 -3.292 1.00 12.00 C ATOM 73 CD ARG A 5 8.052 -23.161 -3.317 1.00 64.44 C ATOM 74 NE ARG A 5 8.319 -22.710 -4.680 1.00 44.33 N ATOM 75 CZ ARG A 5 7.414 -22.112 -5.447 1.00 42.00 C ATOM 76 NH1 ARG A 5 6.190 -21.895 -4.987 1.00 0.24 N ATOM 77 NH2 ARG A 5 7.733 -21.730 -6.677 1.00 1.40 N ATOM 0 H ARG A 5 6.171 -26.247 -0.004 1.00 10.32 H new ATOM 0 HA ARG A 5 6.468 -26.905 -2.673 1.00 53.15 H new ATOM 0 HB2 ARG A 5 6.375 -24.618 -1.367 1.00 74.42 H new ATOM 0 HB3 ARG A 5 8.121 -24.758 -1.336 1.00 74.42 H new ATOM 0 HG2 ARG A 5 7.792 -25.196 -3.953 1.00 12.00 H new ATOM 0 HG3 ARG A 5 6.290 -24.335 -3.678 1.00 12.00 H new ATOM 0 HD2 ARG A 5 7.472 -22.403 -2.791 1.00 64.44 H new ATOM 0 HD3 ARG A 5 8.994 -23.270 -2.780 1.00 64.44 H new ATOM 0 HE ARG A 5 9.251 -22.862 -5.064 1.00 44.33 H new ATOM 0 HH11 ARG A 5 5.941 -22.187 -4.042 1.00 0.24 H new ATOM 0 HH12 ARG A 5 5.497 -21.436 -5.578 1.00 0.24 H new ATOM 0 HH21 ARG A 5 8.674 -21.895 -7.035 1.00 1.40 H new ATOM 0 HH22 ARG A 5 7.037 -21.271 -7.265 1.00 1.40 H new ATOM 91 N GLU A 6 9.211 -27.344 -0.921 1.00 11.12 N ATOM 92 CA GLU A 6 10.544 -27.934 -0.952 1.00 32.53 C ATOM 93 C GLU A 6 11.418 -27.250 -1.999 1.00 31.21 C ATOM 94 O GLU A 6 11.917 -27.892 -2.923 1.00 23.52 O ATOM 95 CB GLU A 6 10.455 -29.433 -1.246 1.00 61.42 C ATOM 96 CG GLU A 6 11.600 -30.239 -0.654 1.00 54.34 C ATOM 97 CD GLU A 6 11.446 -31.729 -0.888 1.00 62.10 C ATOM 98 OE1 GLU A 6 12.025 -32.514 -0.107 1.00 53.15 O ATOM 99 OE2 GLU A 6 10.749 -32.111 -1.851 1.00 15.43 O ATOM 0 H GLU A 6 8.902 -27.047 0.005 1.00 11.12 H new ATOM 0 HA GLU A 6 11.000 -27.789 0.027 1.00 32.53 H new ATOM 0 HB2 GLU A 6 9.512 -29.816 -0.855 1.00 61.42 H new ATOM 0 HB3 GLU A 6 10.437 -29.582 -2.326 1.00 61.42 H new ATOM 0 HG2 GLU A 6 12.540 -29.902 -1.090 1.00 54.34 H new ATOM 0 HG3 GLU A 6 11.659 -30.047 0.417 1.00 54.34 H new ATOM 106 N VAL A 7 11.598 -25.942 -1.848 1.00 12.24 N ATOM 107 CA VAL A 7 12.411 -25.169 -2.779 1.00 24.33 C ATOM 108 C VAL A 7 13.772 -25.823 -2.993 1.00 30.02 C ATOM 109 O VAL A 7 14.338 -25.761 -4.084 1.00 50.34 O ATOM 110 CB VAL A 7 12.620 -23.727 -2.279 1.00 71.42 C ATOM 111 CG1 VAL A 7 13.327 -23.726 -0.932 1.00 50.44 C ATOM 112 CG2 VAL A 7 13.402 -22.917 -3.302 1.00 72.32 C ATOM 0 H VAL A 7 11.191 -25.395 -1.089 1.00 12.24 H new ATOM 0 HA VAL A 7 11.870 -25.143 -3.725 1.00 24.33 H new ATOM 0 HB VAL A 7 11.643 -23.260 -2.150 1.00 71.42 H new ATOM 0 HG11 VAL A 7 13.466 -22.699 -0.595 1.00 50.44 H new ATOM 0 HG12 VAL A 7 12.724 -24.268 -0.204 1.00 50.44 H new ATOM 0 HG13 VAL A 7 14.299 -24.210 -1.031 1.00 50.44 H new ATOM 0 HG21 VAL A 7 13.541 -21.901 -2.933 1.00 72.32 H new ATOM 0 HG22 VAL A 7 14.375 -23.380 -3.465 1.00 72.32 H new ATOM 0 HG23 VAL A 7 12.851 -22.889 -4.242 1.00 72.32 H new ATOM 122 N PHE A 8 14.292 -26.451 -1.943 1.00 43.24 N ATOM 123 CA PHE A 8 15.588 -27.117 -2.016 1.00 13.53 C ATOM 124 C PHE A 8 15.627 -28.106 -3.177 1.00 35.14 C ATOM 125 O PHE A 8 16.662 -28.288 -3.817 1.00 33.25 O ATOM 126 CB PHE A 8 15.886 -27.842 -0.702 1.00 61.21 C ATOM 127 CG PHE A 8 17.332 -28.214 -0.537 1.00 41.55 C ATOM 128 CD1 PHE A 8 17.873 -29.276 -1.243 1.00 32.41 C ATOM 129 CD2 PHE A 8 18.151 -27.500 0.323 1.00 15.13 C ATOM 130 CE1 PHE A 8 19.203 -29.621 -1.094 1.00 2.50 C ATOM 131 CE2 PHE A 8 19.482 -27.839 0.476 1.00 74.11 C ATOM 132 CZ PHE A 8 20.008 -28.901 -0.233 1.00 23.44 C ATOM 0 H PHE A 8 13.836 -26.513 -1.032 1.00 43.24 H new ATOM 0 HA PHE A 8 16.351 -26.357 -2.185 1.00 13.53 H new ATOM 0 HB2 PHE A 8 15.585 -27.206 0.131 1.00 61.21 H new ATOM 0 HB3 PHE A 8 15.278 -28.745 -0.649 1.00 61.21 H new ATOM 0 HD1 PHE A 8 17.248 -29.841 -1.918 1.00 32.41 H new ATOM 0 HD2 PHE A 8 17.744 -26.669 0.880 1.00 15.13 H new ATOM 0 HE1 PHE A 8 19.612 -30.452 -1.650 1.00 2.50 H new ATOM 0 HE2 PHE A 8 20.110 -27.274 1.149 1.00 74.11 H new ATOM 0 HZ PHE A 8 21.048 -29.168 -0.114 1.00 23.44 H new ATOM 142 N ALA A 9 14.491 -28.743 -3.442 1.00 34.04 N ATOM 143 CA ALA A 9 14.393 -29.713 -4.525 1.00 44.24 C ATOM 144 C ALA A 9 14.789 -29.087 -5.859 1.00 34.32 C ATOM 145 O ALA A 9 15.195 -29.787 -6.786 1.00 20.00 O ATOM 146 CB ALA A 9 12.983 -30.278 -4.603 1.00 30.21 C ATOM 0 H ALA A 9 13.625 -28.604 -2.921 1.00 34.04 H new ATOM 0 HA ALA A 9 15.087 -30.527 -4.314 1.00 44.24 H new ATOM 0 HB1 ALA A 9 12.925 -31.001 -5.417 1.00 30.21 H new ATOM 0 HB2 ALA A 9 12.736 -30.770 -3.662 1.00 30.21 H new ATOM 0 HB3 ALA A 9 12.276 -29.469 -4.786 1.00 30.21 H new ATOM 152 N GLN A 10 14.666 -27.767 -5.947 1.00 53.13 N ATOM 153 CA GLN A 10 15.009 -27.048 -7.169 1.00 22.33 C ATOM 154 C GLN A 10 16.458 -27.310 -7.565 1.00 64.31 C ATOM 155 O GLN A 10 16.828 -27.177 -8.732 1.00 34.10 O ATOM 156 CB GLN A 10 14.782 -25.547 -6.983 1.00 61.03 C ATOM 157 CG GLN A 10 13.318 -25.167 -6.834 1.00 32.25 C ATOM 158 CD GLN A 10 12.590 -25.113 -8.162 1.00 41.23 C ATOM 159 OE1 GLN A 10 12.221 -26.145 -8.724 1.00 0.32 O ATOM 160 NE2 GLN A 10 12.379 -23.905 -8.673 1.00 64.43 N ATOM 0 H GLN A 10 14.332 -27.174 -5.188 1.00 53.13 H new ATOM 0 HA GLN A 10 14.362 -27.410 -7.968 1.00 22.33 H new ATOM 0 HB2 GLN A 10 15.327 -25.212 -6.101 1.00 61.03 H new ATOM 0 HB3 GLN A 10 15.201 -25.016 -7.837 1.00 61.03 H new ATOM 0 HG2 GLN A 10 12.824 -25.888 -6.183 1.00 32.25 H new ATOM 0 HG3 GLN A 10 13.247 -24.195 -6.346 1.00 32.25 H new ATOM 0 HE21 GLN A 10 12.702 -23.076 -8.173 1.00 64.43 H new ATOM 0 HE22 GLN A 10 11.894 -23.806 -9.565 1.00 64.43 H new ATOM 169 N VAL A 11 17.276 -27.683 -6.586 1.00 25.30 N ATOM 170 CA VAL A 11 18.686 -27.965 -6.833 1.00 13.33 C ATOM 171 C VAL A 11 18.854 -29.000 -7.939 1.00 72.00 C ATOM 172 O VAL A 11 19.820 -28.959 -8.702 1.00 34.24 O ATOM 173 CB VAL A 11 19.388 -28.472 -5.559 1.00 40.21 C ATOM 174 CG1 VAL A 11 18.782 -29.790 -5.104 1.00 33.43 C ATOM 175 CG2 VAL A 11 20.883 -28.617 -5.798 1.00 23.31 C ATOM 0 H VAL A 11 16.987 -27.797 -5.614 1.00 25.30 H new ATOM 0 HA VAL A 11 19.147 -27.027 -7.144 1.00 13.33 H new ATOM 0 HB VAL A 11 19.239 -27.739 -4.766 1.00 40.21 H new ATOM 0 HG11 VAL A 11 19.291 -30.133 -4.203 1.00 33.43 H new ATOM 0 HG12 VAL A 11 17.722 -29.649 -4.891 1.00 33.43 H new ATOM 0 HG13 VAL A 11 18.898 -30.535 -5.891 1.00 33.43 H new ATOM 0 HG21 VAL A 11 21.364 -28.976 -4.888 1.00 23.31 H new ATOM 0 HG22 VAL A 11 21.055 -29.329 -6.605 1.00 23.31 H new ATOM 0 HG23 VAL A 11 21.303 -27.649 -6.073 1.00 23.31 H new ATOM 185 N LYS A 12 17.907 -29.928 -8.022 1.00 31.41 N ATOM 186 CA LYS A 12 17.947 -30.975 -9.036 1.00 65.02 C ATOM 187 C LYS A 12 17.399 -30.466 -10.365 1.00 75.23 C ATOM 188 O LYS A 12 17.710 -31.010 -11.424 1.00 63.32 O ATOM 189 CB LYS A 12 17.145 -32.193 -8.574 1.00 21.33 C ATOM 190 CG LYS A 12 15.641 -31.990 -8.633 1.00 41.55 C ATOM 191 CD LYS A 12 15.020 -32.758 -9.788 1.00 34.25 C ATOM 192 CE LYS A 12 13.528 -32.968 -9.578 1.00 53.34 C ATOM 193 NZ LYS A 12 13.249 -33.843 -8.406 1.00 5.52 N ATOM 0 H LYS A 12 17.101 -29.976 -7.398 1.00 31.41 H new ATOM 0 HA LYS A 12 18.987 -31.267 -9.180 1.00 65.02 H new ATOM 0 HB2 LYS A 12 17.412 -33.049 -9.193 1.00 21.33 H new ATOM 0 HB3 LYS A 12 17.430 -32.438 -7.551 1.00 21.33 H new ATOM 0 HG2 LYS A 12 15.192 -32.316 -7.695 1.00 41.55 H new ATOM 0 HG3 LYS A 12 15.420 -30.928 -8.740 1.00 41.55 H new ATOM 0 HD2 LYS A 12 15.185 -32.215 -10.718 1.00 34.25 H new ATOM 0 HD3 LYS A 12 15.514 -33.724 -9.891 1.00 34.25 H new ATOM 0 HE2 LYS A 12 13.042 -32.003 -9.434 1.00 53.34 H new ATOM 0 HE3 LYS A 12 13.094 -33.412 -10.474 1.00 53.34 H new ATOM 0 HZ1 LYS A 12 12.316 -34.289 -8.520 1.00 5.52 H new ATOM 0 HZ2 LYS A 12 13.980 -34.580 -8.341 1.00 5.52 H new ATOM 0 HZ3 LYS A 12 13.255 -33.272 -7.537 1.00 5.52 H new ATOM 207 N GLN A 13 16.582 -29.420 -10.301 1.00 53.33 N ATOM 208 CA GLN A 13 15.991 -28.838 -11.501 1.00 32.03 C ATOM 209 C GLN A 13 17.069 -28.468 -12.514 1.00 12.31 C ATOM 210 O GLN A 13 16.900 -28.670 -13.716 1.00 51.20 O ATOM 211 CB GLN A 13 15.166 -27.601 -11.140 1.00 45.12 C ATOM 212 CG GLN A 13 14.157 -27.210 -12.208 1.00 30.35 C ATOM 213 CD GLN A 13 13.317 -26.014 -11.806 1.00 41.34 C ATOM 214 OE1 GLN A 13 12.095 -26.020 -11.958 1.00 1.50 O ATOM 215 NE2 GLN A 13 13.969 -24.978 -11.291 1.00 24.31 N ATOM 0 H GLN A 13 16.314 -28.958 -9.432 1.00 53.33 H new ATOM 0 HA GLN A 13 15.336 -29.584 -11.952 1.00 32.03 H new ATOM 0 HB2 GLN A 13 14.639 -27.787 -10.204 1.00 45.12 H new ATOM 0 HB3 GLN A 13 15.841 -26.763 -10.965 1.00 45.12 H new ATOM 0 HG2 GLN A 13 14.684 -26.984 -13.135 1.00 30.35 H new ATOM 0 HG3 GLN A 13 13.502 -28.057 -12.412 1.00 30.35 H new ATOM 0 HE21 GLN A 13 14.983 -25.016 -11.183 1.00 24.31 H new ATOM 0 HE22 GLN A 13 13.456 -24.144 -11.004 1.00 24.31 H new ATOM 224 N MET A 14 18.177 -27.924 -12.020 1.00 75.30 N ATOM 225 CA MET A 14 19.283 -27.526 -12.883 1.00 74.52 C ATOM 226 C MET A 14 20.479 -27.067 -12.056 1.00 43.14 C ATOM 227 O MET A 14 20.322 -26.579 -10.937 1.00 52.41 O ATOM 228 CB MET A 14 18.842 -26.408 -13.830 1.00 23.22 C ATOM 229 CG MET A 14 19.708 -26.289 -15.073 1.00 42.54 C ATOM 230 SD MET A 14 19.322 -27.541 -16.312 1.00 23.14 S ATOM 231 CE MET A 14 17.656 -27.066 -16.766 1.00 42.10 C ATOM 0 H MET A 14 18.332 -27.749 -11.027 1.00 75.30 H new ATOM 0 HA MET A 14 19.583 -28.393 -13.472 1.00 74.52 H new ATOM 0 HB2 MET A 14 17.810 -26.585 -14.132 1.00 23.22 H new ATOM 0 HB3 MET A 14 18.859 -25.460 -13.293 1.00 23.22 H new ATOM 0 HG2 MET A 14 19.576 -25.299 -15.509 1.00 42.54 H new ATOM 0 HG3 MET A 14 20.757 -26.375 -14.790 1.00 42.54 H new ATOM 0 HE1 MET A 14 17.434 -27.432 -17.768 1.00 42.10 H new ATOM 0 HE2 MET A 14 16.949 -27.497 -16.057 1.00 42.10 H new ATOM 0 HE3 MET A 14 17.570 -25.980 -16.749 1.00 42.10 H new ATOM 241 N TYR A 15 21.674 -27.227 -12.614 1.00 42.41 N ATOM 242 CA TYR A 15 22.898 -26.830 -11.927 1.00 34.53 C ATOM 243 C TYR A 15 23.784 -25.985 -12.836 1.00 40.00 C ATOM 244 O TYR A 15 24.929 -26.343 -13.115 1.00 54.41 O ATOM 245 CB TYR A 15 23.665 -28.066 -11.454 1.00 33.43 C ATOM 246 CG TYR A 15 24.525 -27.816 -10.235 1.00 55.24 C ATOM 247 CD1 TYR A 15 23.952 -27.636 -8.982 1.00 70.51 C ATOM 248 CD2 TYR A 15 25.909 -27.757 -10.338 1.00 32.54 C ATOM 249 CE1 TYR A 15 24.733 -27.407 -7.866 1.00 43.42 C ATOM 250 CE2 TYR A 15 26.698 -27.530 -9.227 1.00 0.41 C ATOM 251 CZ TYR A 15 26.106 -27.355 -7.994 1.00 13.44 C ATOM 252 OH TYR A 15 26.888 -27.126 -6.885 1.00 44.11 O ATOM 0 H TYR A 15 21.821 -27.629 -13.540 1.00 42.41 H new ATOM 0 HA TYR A 15 22.620 -26.229 -11.061 1.00 34.53 H new ATOM 0 HB2 TYR A 15 22.954 -28.861 -11.229 1.00 33.43 H new ATOM 0 HB3 TYR A 15 24.297 -28.424 -12.267 1.00 33.43 H new ATOM 0 HD1 TYR A 15 22.878 -27.676 -8.879 1.00 70.51 H new ATOM 0 HD2 TYR A 15 26.376 -27.891 -11.303 1.00 32.54 H new ATOM 0 HE1 TYR A 15 24.272 -27.269 -6.899 1.00 43.42 H new ATOM 0 HE2 TYR A 15 27.773 -27.490 -9.324 1.00 0.41 H new ATOM 0 HH TYR A 15 27.833 -27.121 -7.146 1.00 44.11 H new ATOM 262 N LYS A 16 23.247 -24.860 -13.295 1.00 54.13 N ATOM 263 CA LYS A 16 23.987 -23.960 -14.172 1.00 12.02 C ATOM 264 C LYS A 16 25.132 -23.288 -13.420 1.00 73.33 C ATOM 265 O LYS A 16 25.147 -22.069 -13.251 1.00 53.52 O ATOM 266 CB LYS A 16 23.051 -22.897 -14.753 1.00 64.31 C ATOM 267 CG LYS A 16 21.875 -23.476 -15.520 1.00 31.34 C ATOM 268 CD LYS A 16 21.212 -22.429 -16.398 1.00 13.30 C ATOM 269 CE LYS A 16 20.404 -21.439 -15.572 1.00 72.42 C ATOM 270 NZ LYS A 16 19.218 -22.082 -14.941 1.00 1.03 N ATOM 0 H LYS A 16 22.301 -24.549 -13.074 1.00 54.13 H new ATOM 0 HA LYS A 16 24.407 -24.550 -14.987 1.00 12.02 H new ATOM 0 HB2 LYS A 16 22.674 -22.274 -13.942 1.00 64.31 H new ATOM 0 HB3 LYS A 16 23.621 -22.246 -15.416 1.00 64.31 H new ATOM 0 HG2 LYS A 16 22.216 -24.307 -16.138 1.00 31.34 H new ATOM 0 HG3 LYS A 16 21.145 -23.879 -14.818 1.00 31.34 H new ATOM 0 HD2 LYS A 16 21.973 -21.894 -16.966 1.00 13.30 H new ATOM 0 HD3 LYS A 16 20.560 -22.919 -17.121 1.00 13.30 H new ATOM 0 HE2 LYS A 16 21.039 -21.009 -14.798 1.00 72.42 H new ATOM 0 HE3 LYS A 16 20.076 -20.617 -16.209 1.00 72.42 H new ATOM 0 HZ1 LYS A 16 18.547 -21.349 -14.636 1.00 1.03 H new ATOM 0 HZ2 LYS A 16 18.756 -22.709 -15.630 1.00 1.03 H new ATOM 0 HZ3 LYS A 16 19.522 -22.638 -14.116 1.00 1.03 H new ATOM 284 N THR A 17 26.091 -24.092 -12.972 1.00 4.21 N ATOM 285 CA THR A 17 27.240 -23.575 -12.239 1.00 64.21 C ATOM 286 C THR A 17 26.808 -22.576 -11.172 1.00 30.42 C ATOM 287 O THR A 17 27.358 -21.481 -11.053 1.00 20.31 O ATOM 288 CB THR A 17 28.250 -22.895 -13.184 1.00 34.44 C ATOM 289 OG1 THR A 17 27.555 -22.130 -14.174 1.00 54.31 O ATOM 290 CG2 THR A 17 29.135 -23.929 -13.863 1.00 44.42 C ATOM 0 H THR A 17 26.095 -25.103 -13.104 1.00 4.21 H new ATOM 0 HA THR A 17 27.719 -24.429 -11.760 1.00 64.21 H new ATOM 0 HB THR A 17 28.881 -22.233 -12.591 1.00 34.44 H new ATOM 0 HG1 THR A 17 26.932 -21.514 -13.734 1.00 54.31 H new ATOM 0 HG21 THR A 17 29.840 -23.426 -14.525 1.00 44.42 H new ATOM 0 HG22 THR A 17 29.684 -24.490 -13.107 1.00 44.42 H new ATOM 0 HG23 THR A 17 28.516 -24.613 -14.444 1.00 44.42 H new ATOM 298 N PRO A 18 25.800 -22.960 -10.375 1.00 75.00 N ATOM 299 CA PRO A 18 25.272 -22.112 -9.302 1.00 31.00 C ATOM 300 C PRO A 18 26.256 -21.959 -8.147 1.00 71.02 C ATOM 301 O PRO A 18 26.902 -22.923 -7.736 1.00 32.45 O ATOM 302 CB PRO A 18 24.019 -22.861 -8.841 1.00 61.33 C ATOM 303 CG PRO A 18 24.275 -24.284 -9.201 1.00 72.14 C ATOM 304 CD PRO A 18 25.097 -24.251 -10.460 1.00 20.41 C ATOM 0 HA PRO A 18 25.076 -21.096 -9.645 1.00 31.00 H new ATOM 0 HB2 PRO A 18 23.861 -22.746 -7.769 1.00 61.33 H new ATOM 0 HB3 PRO A 18 23.126 -22.482 -9.337 1.00 61.33 H new ATOM 0 HG2 PRO A 18 24.807 -24.799 -8.401 1.00 72.14 H new ATOM 0 HG3 PRO A 18 23.340 -24.821 -9.359 1.00 72.14 H new ATOM 0 HD2 PRO A 18 25.795 -25.087 -10.506 1.00 20.41 H new ATOM 0 HD3 PRO A 18 24.471 -24.310 -11.350 1.00 20.41 H new ATOM 312 N THR A 19 26.366 -20.741 -7.627 1.00 11.52 N ATOM 313 CA THR A 19 27.272 -20.461 -6.520 1.00 34.23 C ATOM 314 C THR A 19 26.807 -21.150 -5.242 1.00 12.13 C ATOM 315 O THR A 19 27.589 -21.349 -4.311 1.00 43.25 O ATOM 316 CB THR A 19 27.391 -18.948 -6.260 1.00 13.45 C ATOM 317 OG1 THR A 19 28.272 -18.708 -5.157 1.00 1.13 O ATOM 318 CG2 THR A 19 26.027 -18.340 -5.967 1.00 2.11 C ATOM 0 H THR A 19 25.839 -19.932 -7.955 1.00 11.52 H new ATOM 0 HA THR A 19 28.249 -20.851 -6.805 1.00 34.23 H new ATOM 0 HB THR A 19 27.796 -18.479 -7.157 1.00 13.45 H new ATOM 0 HG1 THR A 19 28.343 -17.743 -4.999 1.00 1.13 H new ATOM 0 HG21 THR A 19 26.136 -17.271 -5.787 1.00 2.11 H new ATOM 0 HG22 THR A 19 25.367 -18.498 -6.820 1.00 2.11 H new ATOM 0 HG23 THR A 19 25.599 -18.815 -5.084 1.00 2.11 H new ATOM 326 N LEU A 20 25.530 -21.513 -5.202 1.00 14.10 N ATOM 327 CA LEU A 20 24.960 -22.181 -4.037 1.00 20.20 C ATOM 328 C LEU A 20 25.388 -23.644 -3.985 1.00 71.32 C ATOM 329 O LEU A 20 24.574 -24.548 -4.180 1.00 5.12 O ATOM 330 CB LEU A 20 23.434 -22.085 -4.065 1.00 34.11 C ATOM 331 CG LEU A 20 22.831 -20.806 -3.483 1.00 51.34 C ATOM 332 CD1 LEU A 20 23.226 -20.645 -2.024 1.00 31.14 C ATOM 333 CD2 LEU A 20 23.269 -19.594 -4.293 1.00 2.11 C ATOM 0 H LEU A 20 24.869 -21.356 -5.963 1.00 14.10 H new ATOM 0 HA LEU A 20 25.333 -21.680 -3.143 1.00 20.20 H new ATOM 0 HB2 LEU A 20 23.103 -22.181 -5.099 1.00 34.11 H new ATOM 0 HB3 LEU A 20 23.026 -22.936 -3.519 1.00 34.11 H new ATOM 0 HG LEU A 20 21.745 -20.882 -3.537 1.00 51.34 H new ATOM 0 HD11 LEU A 20 22.788 -19.729 -1.627 1.00 31.14 H new ATOM 0 HD12 LEU A 20 22.862 -21.499 -1.452 1.00 31.14 H new ATOM 0 HD13 LEU A 20 24.312 -20.591 -1.945 1.00 31.14 H new ATOM 0 HD21 LEU A 20 22.831 -18.693 -3.865 1.00 2.11 H new ATOM 0 HD22 LEU A 20 24.356 -19.515 -4.271 1.00 2.11 H new ATOM 0 HD23 LEU A 20 22.935 -19.705 -5.324 1.00 2.11 H new ATOM 345 N LYS A 21 26.670 -23.871 -3.720 1.00 32.45 N ATOM 346 CA LYS A 21 27.207 -25.225 -3.638 1.00 52.51 C ATOM 347 C LYS A 21 27.061 -25.784 -2.226 1.00 43.43 C ATOM 348 O LYS A 21 27.020 -26.998 -2.031 1.00 23.54 O ATOM 349 CB LYS A 21 28.680 -25.237 -4.053 1.00 53.35 C ATOM 350 CG LYS A 21 29.168 -26.597 -4.521 1.00 44.43 C ATOM 351 CD LYS A 21 29.689 -27.431 -3.363 1.00 12.11 C ATOM 352 CE LYS A 21 30.819 -28.350 -3.801 1.00 75.24 C ATOM 353 NZ LYS A 21 31.356 -29.150 -2.666 1.00 14.44 N ATOM 0 H LYS A 21 27.357 -23.135 -3.558 1.00 32.45 H new ATOM 0 HA LYS A 21 26.638 -25.857 -4.320 1.00 52.51 H new ATOM 0 HB2 LYS A 21 28.830 -24.512 -4.853 1.00 53.35 H new ATOM 0 HB3 LYS A 21 29.289 -24.912 -3.210 1.00 53.35 H new ATOM 0 HG2 LYS A 21 28.353 -27.127 -5.015 1.00 44.43 H new ATOM 0 HG3 LYS A 21 29.958 -26.466 -5.261 1.00 44.43 H new ATOM 0 HD2 LYS A 21 30.041 -26.773 -2.569 1.00 12.11 H new ATOM 0 HD3 LYS A 21 28.876 -28.026 -2.947 1.00 12.11 H new ATOM 0 HE2 LYS A 21 30.459 -29.022 -4.580 1.00 75.24 H new ATOM 0 HE3 LYS A 21 31.622 -27.756 -4.238 1.00 75.24 H new ATOM 0 HZ1 LYS A 21 32.124 -29.763 -3.006 1.00 14.44 H new ATOM 0 HZ2 LYS A 21 31.723 -28.510 -1.933 1.00 14.44 H new ATOM 0 HZ3 LYS A 21 30.597 -29.737 -2.265 1.00 14.44 H new ATOM 367 N TYR A 22 26.982 -24.890 -1.247 1.00 22.24 N ATOM 368 CA TYR A 22 26.842 -25.295 0.147 1.00 10.22 C ATOM 369 C TYR A 22 25.682 -26.271 0.317 1.00 13.31 C ATOM 370 O TYR A 22 25.709 -27.140 1.189 1.00 54.22 O ATOM 371 CB TYR A 22 26.626 -24.069 1.037 1.00 65.23 C ATOM 372 CG TYR A 22 26.937 -24.318 2.496 1.00 52.45 C ATOM 373 CD1 TYR A 22 28.250 -24.413 2.940 1.00 12.21 C ATOM 374 CD2 TYR A 22 25.917 -24.458 3.429 1.00 64.10 C ATOM 375 CE1 TYR A 22 28.538 -24.640 4.272 1.00 63.41 C ATOM 376 CE2 TYR A 22 26.197 -24.684 4.763 1.00 75.32 C ATOM 377 CZ TYR A 22 27.508 -24.775 5.179 1.00 3.03 C ATOM 378 OH TYR A 22 27.790 -25.002 6.507 1.00 45.31 O ATOM 0 H TYR A 22 27.012 -23.881 -1.392 1.00 22.24 H new ATOM 0 HA TYR A 22 27.762 -25.796 0.447 1.00 10.22 H new ATOM 0 HB2 TYR A 22 27.251 -23.253 0.675 1.00 65.23 H new ATOM 0 HB3 TYR A 22 25.590 -23.742 0.946 1.00 65.23 H new ATOM 0 HD1 TYR A 22 29.059 -24.308 2.232 1.00 12.21 H new ATOM 0 HD2 TYR A 22 24.889 -24.389 3.106 1.00 64.10 H new ATOM 0 HE1 TYR A 22 29.564 -24.711 4.601 1.00 63.41 H new ATOM 0 HE2 TYR A 22 25.393 -24.789 5.476 1.00 75.32 H new ATOM 0 HH TYR A 22 26.953 -25.072 7.012 1.00 45.31 H new ATOM 388 N PHE A 23 24.663 -26.121 -0.523 1.00 42.22 N ATOM 389 CA PHE A 23 23.492 -26.988 -0.467 1.00 40.24 C ATOM 390 C PHE A 23 23.822 -28.382 -0.993 1.00 54.35 C ATOM 391 O PHE A 23 23.323 -29.384 -0.483 1.00 53.22 O ATOM 392 CB PHE A 23 22.344 -26.383 -1.278 1.00 41.41 C ATOM 393 CG PHE A 23 21.771 -25.136 -0.667 1.00 41.35 C ATOM 394 CD1 PHE A 23 21.514 -24.021 -1.449 1.00 11.11 C ATOM 395 CD2 PHE A 23 21.490 -25.078 0.688 1.00 23.42 C ATOM 396 CE1 PHE A 23 20.986 -22.872 -0.890 1.00 42.12 C ATOM 397 CE2 PHE A 23 20.962 -23.932 1.252 1.00 23.53 C ATOM 398 CZ PHE A 23 20.711 -22.827 0.462 1.00 21.55 C ATOM 0 H PHE A 23 24.625 -25.407 -1.251 1.00 42.22 H new ATOM 0 HA PHE A 23 23.185 -27.075 0.575 1.00 40.24 H new ATOM 0 HB2 PHE A 23 22.700 -26.155 -2.283 1.00 41.41 H new ATOM 0 HB3 PHE A 23 21.552 -27.125 -1.381 1.00 41.41 H new ATOM 0 HD1 PHE A 23 21.729 -24.050 -2.507 1.00 11.11 H new ATOM 0 HD2 PHE A 23 21.686 -25.938 1.311 1.00 23.42 H new ATOM 0 HE1 PHE A 23 20.789 -22.010 -1.511 1.00 42.12 H new ATOM 0 HE2 PHE A 23 20.746 -23.900 2.310 1.00 23.53 H new ATOM 0 HZ PHE A 23 20.300 -21.930 0.901 1.00 21.55 H new ATOM 408 N GLY A 24 24.666 -28.436 -2.019 1.00 62.40 N ATOM 409 CA GLY A 24 25.048 -29.711 -2.598 1.00 51.04 C ATOM 410 C GLY A 24 25.981 -30.500 -1.701 1.00 14.22 C ATOM 411 O GLY A 24 26.935 -29.952 -1.151 1.00 12.24 O ATOM 0 H GLY A 24 25.092 -27.620 -2.459 1.00 62.40 H new ATOM 0 HA2 GLY A 24 24.152 -30.301 -2.793 1.00 51.04 H new ATOM 0 HA3 GLY A 24 25.532 -29.539 -3.559 1.00 51.04 H new ATOM 415 N GLY A 25 25.703 -31.792 -1.551 1.00 4.41 N ATOM 416 CA GLY A 25 26.533 -32.636 -0.711 1.00 50.31 C ATOM 417 C GLY A 25 26.467 -34.096 -1.112 1.00 32.13 C ATOM 418 O GLY A 25 25.382 -34.652 -1.282 1.00 74.04 O ATOM 0 H GLY A 25 24.919 -32.269 -1.996 1.00 4.41 H new ATOM 0 HA2 GLY A 25 27.566 -32.294 -0.766 1.00 50.31 H new ATOM 0 HA3 GLY A 25 26.217 -32.533 0.327 1.00 50.31 H new ATOM 422 N PHE A 26 27.630 -34.720 -1.264 1.00 45.51 N ATOM 423 CA PHE A 26 27.701 -36.124 -1.650 1.00 74.01 C ATOM 424 C PHE A 26 28.454 -36.939 -0.603 1.00 32.02 C ATOM 425 O PHE A 26 29.179 -36.388 0.224 1.00 43.03 O ATOM 426 CB PHE A 26 28.383 -36.267 -3.012 1.00 23.11 C ATOM 427 CG PHE A 26 29.647 -35.465 -3.136 1.00 51.22 C ATOM 428 CD1 PHE A 26 29.731 -34.415 -4.037 1.00 22.41 C ATOM 429 CD2 PHE A 26 30.751 -35.760 -2.353 1.00 32.54 C ATOM 430 CE1 PHE A 26 30.892 -33.675 -4.154 1.00 4.24 C ATOM 431 CE2 PHE A 26 31.914 -35.023 -2.465 1.00 24.24 C ATOM 432 CZ PHE A 26 31.986 -33.980 -3.367 1.00 12.10 C ATOM 0 H PHE A 26 28.537 -34.275 -1.126 1.00 45.51 H new ATOM 0 HA PHE A 26 26.683 -36.507 -1.720 1.00 74.01 H new ATOM 0 HB2 PHE A 26 28.611 -37.319 -3.187 1.00 23.11 H new ATOM 0 HB3 PHE A 26 27.688 -35.957 -3.792 1.00 23.11 H new ATOM 0 HD1 PHE A 26 28.879 -34.172 -4.655 1.00 22.41 H new ATOM 0 HD2 PHE A 26 30.702 -36.576 -1.647 1.00 32.54 H new ATOM 0 HE1 PHE A 26 30.944 -32.859 -4.860 1.00 4.24 H new ATOM 0 HE2 PHE A 26 32.767 -35.263 -1.847 1.00 24.24 H new ATOM 0 HZ PHE A 26 32.895 -33.404 -3.457 1.00 12.10 H new ATOM 442 N ASN A 27 28.275 -38.255 -0.645 1.00 33.31 N ATOM 443 CA ASN A 27 28.936 -39.147 0.301 1.00 71.33 C ATOM 444 C ASN A 27 30.321 -39.544 -0.203 1.00 14.44 C ATOM 445 O ASN A 27 30.504 -39.832 -1.386 1.00 1.45 O ATOM 446 CB ASN A 27 28.087 -40.399 0.532 1.00 63.22 C ATOM 447 CG ASN A 27 28.355 -41.038 1.881 1.00 63.44 C ATOM 448 OD1 ASN A 27 29.467 -41.491 2.156 1.00 53.13 O ATOM 449 ND2 ASN A 27 27.335 -41.078 2.729 1.00 32.54 N ATOM 0 H ASN A 27 27.678 -38.728 -1.324 1.00 33.31 H new ATOM 0 HA ASN A 27 29.051 -38.615 1.245 1.00 71.33 H new ATOM 0 HB2 ASN A 27 27.031 -40.137 0.460 1.00 63.22 H new ATOM 0 HB3 ASN A 27 28.290 -41.123 -0.257 1.00 63.22 H new ATOM 0 HD21 ASN A 27 27.455 -41.496 3.651 1.00 32.54 H new ATOM 0 HD22 ASN A 27 26.431 -40.690 2.458 1.00 32.54 H new ATOM 456 N PHE A 28 31.292 -39.557 0.704 1.00 42.31 N ATOM 457 CA PHE A 28 32.661 -39.917 0.353 1.00 72.45 C ATOM 458 C PHE A 28 32.738 -41.369 -0.113 1.00 4.42 C ATOM 459 O PHE A 28 33.630 -41.740 -0.875 1.00 63.43 O ATOM 460 CB PHE A 28 33.590 -39.703 1.549 1.00 63.31 C ATOM 461 CG PHE A 28 33.216 -40.520 2.752 1.00 23.34 C ATOM 462 CD1 PHE A 28 33.694 -41.812 2.905 1.00 2.22 C ATOM 463 CD2 PHE A 28 32.386 -39.997 3.731 1.00 43.03 C ATOM 464 CE1 PHE A 28 33.352 -42.566 4.012 1.00 63.33 C ATOM 465 CE2 PHE A 28 32.041 -40.746 4.839 1.00 24.55 C ATOM 466 CZ PHE A 28 32.524 -42.033 4.980 1.00 71.14 C ATOM 0 H PHE A 28 31.156 -39.322 1.687 1.00 42.31 H new ATOM 0 HA PHE A 28 32.982 -39.273 -0.466 1.00 72.45 H new ATOM 0 HB2 PHE A 28 34.610 -39.950 1.255 1.00 63.31 H new ATOM 0 HB3 PHE A 28 33.583 -38.647 1.820 1.00 63.31 H new ATOM 0 HD1 PHE A 28 34.341 -42.235 2.151 1.00 2.22 H new ATOM 0 HD2 PHE A 28 32.005 -38.992 3.626 1.00 43.03 H new ATOM 0 HE1 PHE A 28 33.732 -43.571 4.120 1.00 63.33 H new ATOM 0 HE2 PHE A 28 31.394 -40.326 5.595 1.00 24.55 H new ATOM 0 HZ PHE A 28 32.255 -42.621 5.845 1.00 71.14 H new ATOM 476 N SER A 29 31.798 -42.184 0.353 1.00 74.14 N ATOM 477 CA SER A 29 31.761 -43.596 -0.012 1.00 10.45 C ATOM 478 C SER A 29 31.044 -43.795 -1.343 1.00 51.44 C ATOM 479 O SER A 29 31.093 -44.875 -1.931 1.00 10.03 O ATOM 480 CB SER A 29 31.065 -44.408 1.082 1.00 71.31 C ATOM 481 OG SER A 29 31.417 -45.779 1.001 1.00 54.41 O ATOM 0 H SER A 29 31.052 -41.892 0.984 1.00 74.14 H new ATOM 0 HA SER A 29 32.788 -43.946 -0.117 1.00 10.45 H new ATOM 0 HB2 SER A 29 31.340 -44.016 2.061 1.00 71.31 H new ATOM 0 HB3 SER A 29 29.984 -44.300 0.988 1.00 71.31 H new ATOM 0 HG SER A 29 30.961 -46.276 1.711 1.00 54.41 H new ATOM 487 N GLN A 30 30.379 -42.744 -1.813 1.00 34.12 N ATOM 488 CA GLN A 30 29.650 -42.803 -3.075 1.00 25.33 C ATOM 489 C GLN A 30 30.480 -42.213 -4.210 1.00 63.11 C ATOM 490 O GLN A 30 30.068 -42.237 -5.370 1.00 61.02 O ATOM 491 CB GLN A 30 28.321 -42.055 -2.956 1.00 63.54 C ATOM 492 CG GLN A 30 27.234 -42.600 -3.868 1.00 73.12 C ATOM 493 CD GLN A 30 26.118 -41.602 -4.106 1.00 52.12 C ATOM 494 OE1 GLN A 30 25.728 -41.350 -5.247 1.00 13.44 O ATOM 495 NE2 GLN A 30 25.597 -41.028 -3.028 1.00 51.42 N ATOM 0 H GLN A 30 30.330 -41.842 -1.339 1.00 34.12 H new ATOM 0 HA GLN A 30 29.450 -43.850 -3.302 1.00 25.33 H new ATOM 0 HB2 GLN A 30 27.976 -42.105 -1.923 1.00 63.54 H new ATOM 0 HB3 GLN A 30 28.484 -41.002 -3.187 1.00 63.54 H new ATOM 0 HG2 GLN A 30 27.675 -42.882 -4.824 1.00 73.12 H new ATOM 0 HG3 GLN A 30 26.818 -43.507 -3.429 1.00 73.12 H new ATOM 0 HE21 GLN A 30 25.951 -41.267 -2.102 1.00 51.42 H new ATOM 0 HE22 GLN A 30 24.843 -40.348 -3.126 1.00 51.42 H new ATOM 504 N ILE A 31 31.650 -41.684 -3.868 1.00 41.11 N ATOM 505 CA ILE A 31 32.537 -41.088 -4.859 1.00 65.33 C ATOM 506 C ILE A 31 33.848 -41.861 -4.958 1.00 44.13 C ATOM 507 O ILE A 31 34.875 -41.315 -5.366 1.00 14.33 O ATOM 508 CB ILE A 31 32.846 -39.616 -4.527 1.00 31.54 C ATOM 509 CG1 ILE A 31 33.415 -39.499 -3.111 1.00 72.21 C ATOM 510 CG2 ILE A 31 31.592 -38.767 -4.672 1.00 3.24 C ATOM 511 CD1 ILE A 31 34.159 -38.206 -2.864 1.00 52.51 C ATOM 0 H ILE A 31 32.006 -41.656 -2.912 1.00 41.11 H new ATOM 0 HA ILE A 31 32.017 -41.134 -5.816 1.00 65.33 H new ATOM 0 HB ILE A 31 33.593 -39.248 -5.230 1.00 31.54 H new ATOM 0 HG12 ILE A 31 32.600 -39.583 -2.392 1.00 72.21 H new ATOM 0 HG13 ILE A 31 34.088 -40.337 -2.928 1.00 72.21 H new ATOM 0 HG21 ILE A 31 31.826 -37.729 -4.434 1.00 3.24 H new ATOM 0 HG22 ILE A 31 31.226 -38.831 -5.697 1.00 3.24 H new ATOM 0 HG23 ILE A 31 30.825 -39.132 -3.989 1.00 3.24 H new ATOM 0 HD11 ILE A 31 34.534 -38.192 -1.841 1.00 52.51 H new ATOM 0 HD12 ILE A 31 34.996 -38.129 -3.559 1.00 52.51 H new ATOM 0 HD13 ILE A 31 33.484 -37.363 -3.014 1.00 52.51 H new ATOM 523 N LEU A 32 33.807 -43.135 -4.585 1.00 23.02 N ATOM 524 CA LEU A 32 34.992 -43.985 -4.633 1.00 71.11 C ATOM 525 C LEU A 32 34.881 -45.011 -5.757 1.00 12.42 C ATOM 526 O LEU A 32 33.791 -45.338 -6.226 1.00 53.23 O ATOM 527 CB LEU A 32 35.187 -44.698 -3.294 1.00 30.21 C ATOM 528 CG LEU A 32 33.913 -45.171 -2.593 1.00 73.25 C ATOM 529 CD1 LEU A 32 33.174 -46.183 -3.456 1.00 12.14 C ATOM 530 CD2 LEU A 32 34.242 -45.767 -1.232 1.00 50.05 C ATOM 0 H LEU A 32 32.966 -43.603 -4.246 1.00 23.02 H new ATOM 0 HA LEU A 32 35.856 -43.350 -4.829 1.00 71.11 H new ATOM 0 HB2 LEU A 32 35.831 -45.562 -3.456 1.00 30.21 H new ATOM 0 HB3 LEU A 32 35.719 -44.026 -2.621 1.00 30.21 H new ATOM 0 HG LEU A 32 33.263 -44.309 -2.442 1.00 73.25 H new ATOM 0 HD11 LEU A 32 32.270 -46.509 -2.941 1.00 12.14 H new ATOM 0 HD12 LEU A 32 32.905 -45.723 -4.407 1.00 12.14 H new ATOM 0 HD13 LEU A 32 33.817 -47.044 -3.639 1.00 12.14 H new ATOM 0 HD21 LEU A 32 33.323 -46.098 -0.748 1.00 50.05 H new ATOM 0 HD22 LEU A 32 34.912 -46.617 -1.360 1.00 50.05 H new ATOM 0 HD23 LEU A 32 34.727 -45.013 -0.612 1.00 50.05 H new ATOM 542 N PRO A 33 36.035 -45.532 -6.198 1.00 71.42 N ATOM 543 CA PRO A 33 36.094 -46.531 -7.270 1.00 55.30 C ATOM 544 C PRO A 33 35.536 -47.882 -6.835 1.00 55.42 C ATOM 545 O PRO A 33 35.141 -48.698 -7.668 1.00 23.12 O ATOM 546 CB PRO A 33 37.590 -46.642 -7.570 1.00 5.13 C ATOM 547 CG PRO A 33 38.262 -46.229 -6.305 1.00 74.43 C ATOM 548 CD PRO A 33 37.371 -45.189 -5.685 1.00 4.55 C ATOM 0 HA PRO A 33 35.493 -46.240 -8.132 1.00 55.30 H new ATOM 0 HB2 PRO A 33 37.863 -47.660 -7.849 1.00 5.13 H new ATOM 0 HB3 PRO A 33 37.876 -45.996 -8.400 1.00 5.13 H new ATOM 0 HG2 PRO A 33 38.393 -47.080 -5.636 1.00 74.43 H new ATOM 0 HG3 PRO A 33 39.254 -45.825 -6.504 1.00 74.43 H new ATOM 0 HD2 PRO A 33 37.405 -45.228 -4.596 1.00 4.55 H new ATOM 0 HD3 PRO A 33 37.667 -44.181 -5.977 1.00 4.55 H new ATOM 556 N SER A 34 35.505 -48.110 -5.526 1.00 73.42 N ATOM 557 CA SER A 34 34.998 -49.364 -4.981 1.00 72.31 C ATOM 558 C SER A 34 35.599 -50.559 -5.716 1.00 3.44 C ATOM 559 O SER A 34 34.916 -51.284 -6.439 1.00 11.50 O ATOM 560 CB SER A 34 33.472 -49.407 -5.078 1.00 74.15 C ATOM 561 OG SER A 34 33.049 -49.501 -6.428 1.00 1.21 O ATOM 0 H SER A 34 35.825 -47.443 -4.823 1.00 73.42 H new ATOM 0 HA SER A 34 35.290 -49.420 -3.932 1.00 72.31 H new ATOM 0 HB2 SER A 34 33.093 -50.259 -4.515 1.00 74.15 H new ATOM 0 HB3 SER A 34 33.050 -48.511 -4.623 1.00 74.15 H new ATOM 0 HG SER A 34 33.779 -49.859 -6.975 1.00 1.21 H new ATOM 567 N PRO A 35 36.910 -50.769 -5.526 1.00 64.35 N ATOM 568 CA PRO A 35 37.634 -51.875 -6.161 1.00 42.45 C ATOM 569 C PRO A 35 37.234 -53.232 -5.593 1.00 42.11 C ATOM 570 O PRO A 35 37.540 -54.274 -6.174 1.00 20.22 O ATOM 571 CB PRO A 35 39.099 -51.571 -5.839 1.00 44.32 C ATOM 572 CG PRO A 35 39.052 -50.754 -4.594 1.00 51.12 C ATOM 573 CD PRO A 35 37.787 -49.945 -4.678 1.00 20.03 C ATOM 0 HA PRO A 35 37.423 -51.941 -7.228 1.00 42.45 H new ATOM 0 HB2 PRO A 35 39.670 -52.487 -5.690 1.00 44.32 H new ATOM 0 HB3 PRO A 35 39.578 -51.026 -6.652 1.00 44.32 H new ATOM 0 HG2 PRO A 35 39.050 -51.391 -3.709 1.00 51.12 H new ATOM 0 HG3 PRO A 35 39.925 -50.106 -4.519 1.00 51.12 H new ATOM 0 HD2 PRO A 35 37.351 -49.777 -3.693 1.00 20.03 H new ATOM 0 HD3 PRO A 35 37.966 -48.964 -5.119 1.00 20.03 H new ATOM 581 N LEU A 36 36.549 -53.213 -4.455 1.00 52.23 N ATOM 582 CA LEU A 36 36.106 -54.443 -3.808 1.00 51.12 C ATOM 583 C LEU A 36 35.203 -55.251 -4.735 1.00 22.13 C ATOM 584 O LEU A 36 34.015 -54.958 -4.873 1.00 22.51 O ATOM 585 CB LEU A 36 35.365 -54.121 -2.509 1.00 41.11 C ATOM 586 CG LEU A 36 35.379 -55.214 -1.440 1.00 2.22 C ATOM 587 CD1 LEU A 36 36.798 -55.468 -0.956 1.00 22.45 C ATOM 588 CD2 LEU A 36 34.477 -54.832 -0.275 1.00 73.34 C ATOM 0 H LEU A 36 36.288 -52.359 -3.961 1.00 52.23 H new ATOM 0 HA LEU A 36 36.988 -55.041 -3.577 1.00 51.12 H new ATOM 0 HB2 LEU A 36 35.798 -53.217 -2.081 1.00 41.11 H new ATOM 0 HB3 LEU A 36 34.328 -53.893 -2.753 1.00 41.11 H new ATOM 0 HG LEU A 36 34.997 -56.134 -1.883 1.00 2.22 H new ATOM 0 HD11 LEU A 36 36.789 -56.249 -0.196 1.00 22.45 H new ATOM 0 HD12 LEU A 36 37.417 -55.786 -1.795 1.00 22.45 H new ATOM 0 HD13 LEU A 36 37.207 -54.552 -0.530 1.00 22.45 H new ATOM 0 HD21 LEU A 36 34.499 -55.621 0.476 1.00 73.34 H new ATOM 0 HD22 LEU A 36 34.829 -53.900 0.167 1.00 73.34 H new ATOM 0 HD23 LEU A 36 33.456 -54.701 -0.633 1.00 73.34 H new ATOM 600 N LYS A 37 35.774 -56.271 -5.367 1.00 20.14 N ATOM 601 CA LYS A 37 35.021 -57.125 -6.278 1.00 24.23 C ATOM 602 C LYS A 37 35.530 -58.562 -6.222 1.00 25.00 C ATOM 603 O LYS A 37 36.194 -59.047 -7.139 1.00 11.12 O ATOM 604 CB LYS A 37 35.122 -56.593 -7.709 1.00 12.51 C ATOM 605 CG LYS A 37 34.232 -57.328 -8.695 1.00 75.15 C ATOM 606 CD LYS A 37 34.814 -57.303 -10.099 1.00 1.54 C ATOM 607 CE LYS A 37 34.528 -55.982 -10.797 1.00 75.10 C ATOM 608 NZ LYS A 37 35.495 -54.922 -10.399 1.00 20.54 N ATOM 0 H LYS A 37 36.756 -56.526 -5.265 1.00 20.14 H new ATOM 0 HA LYS A 37 33.977 -57.115 -5.966 1.00 24.23 H new ATOM 0 HB2 LYS A 37 34.859 -55.535 -7.714 1.00 12.51 H new ATOM 0 HB3 LYS A 37 36.157 -56.666 -8.043 1.00 12.51 H new ATOM 0 HG2 LYS A 37 34.105 -58.361 -8.371 1.00 75.15 H new ATOM 0 HG3 LYS A 37 33.242 -56.872 -8.703 1.00 75.15 H new ATOM 0 HD2 LYS A 37 35.891 -57.465 -10.051 1.00 1.54 H new ATOM 0 HD3 LYS A 37 34.395 -58.123 -10.683 1.00 1.54 H new ATOM 0 HE2 LYS A 37 34.571 -56.125 -11.877 1.00 75.10 H new ATOM 0 HE3 LYS A 37 33.515 -55.657 -10.558 1.00 75.10 H new ATOM 0 HZ1 LYS A 37 35.596 -54.236 -11.174 1.00 20.54 H new ATOM 0 HZ2 LYS A 37 35.146 -54.435 -9.549 1.00 20.54 H new ATOM 0 HZ3 LYS A 37 36.419 -55.354 -10.196 1.00 20.54 H new ATOM 622 N PRO A 38 35.213 -59.261 -5.122 1.00 72.12 N ATOM 623 CA PRO A 38 35.626 -60.653 -4.922 1.00 64.11 C ATOM 624 C PRO A 38 34.903 -61.613 -5.860 1.00 64.34 C ATOM 625 O PRO A 38 33.717 -61.895 -5.685 1.00 4.01 O ATOM 626 CB PRO A 38 35.239 -60.933 -3.468 1.00 14.20 C ATOM 627 CG PRO A 38 34.130 -59.980 -3.182 1.00 11.14 C ATOM 628 CD PRO A 38 34.425 -58.747 -3.990 1.00 12.43 C ATOM 0 HA PRO A 38 36.686 -60.797 -5.130 1.00 64.11 H new ATOM 0 HB2 PRO A 38 34.917 -61.966 -3.336 1.00 14.20 H new ATOM 0 HB3 PRO A 38 36.082 -60.773 -2.796 1.00 14.20 H new ATOM 0 HG2 PRO A 38 33.167 -60.408 -3.460 1.00 11.14 H new ATOM 0 HG3 PRO A 38 34.080 -59.747 -2.118 1.00 11.14 H new ATOM 0 HD2 PRO A 38 33.510 -58.259 -4.326 1.00 12.43 H new ATOM 0 HD3 PRO A 38 34.985 -58.012 -3.412 1.00 12.43 H new ATOM 636 N THR A 39 35.625 -62.115 -6.858 1.00 41.41 N ATOM 637 CA THR A 39 35.052 -63.043 -7.825 1.00 2.24 C ATOM 638 C THR A 39 35.093 -64.474 -7.303 1.00 34.54 C ATOM 639 O THR A 39 34.686 -65.410 -7.993 1.00 5.24 O ATOM 640 CB THR A 39 35.794 -62.979 -9.173 1.00 2.11 C ATOM 641 OG1 THR A 39 37.188 -62.735 -8.954 1.00 21.01 O ATOM 642 CG2 THR A 39 35.216 -61.885 -10.058 1.00 34.03 C ATOM 0 H THR A 39 36.608 -61.894 -7.017 1.00 41.41 H new ATOM 0 HA THR A 39 34.015 -62.743 -7.975 1.00 2.24 H new ATOM 0 HB THR A 39 35.668 -63.937 -9.677 1.00 2.11 H new ATOM 0 HG1 THR A 39 37.653 -62.697 -9.816 1.00 21.01 H new ATOM 0 HG21 THR A 39 35.756 -61.859 -11.004 1.00 34.03 H new ATOM 0 HG22 THR A 39 34.162 -62.089 -10.247 1.00 34.03 H new ATOM 0 HG23 THR A 39 35.315 -60.922 -9.557 1.00 34.03 H new ATOM 650 N LYS A 40 35.584 -64.640 -6.079 1.00 44.44 N ATOM 651 CA LYS A 40 35.676 -65.958 -5.463 1.00 4.43 C ATOM 652 C LYS A 40 34.335 -66.681 -5.523 1.00 31.32 C ATOM 653 O LYS A 40 34.284 -67.908 -5.614 1.00 4.02 O ATOM 654 CB LYS A 40 36.135 -65.832 -4.008 1.00 43.12 C ATOM 655 CG LYS A 40 36.424 -67.167 -3.344 1.00 44.10 C ATOM 656 CD LYS A 40 37.443 -67.024 -2.225 1.00 72.34 C ATOM 657 CE LYS A 40 36.769 -66.756 -0.889 1.00 14.23 C ATOM 658 NZ LYS A 40 35.879 -67.878 -0.481 1.00 22.34 N ATOM 0 H LYS A 40 35.925 -63.877 -5.494 1.00 44.44 H new ATOM 0 HA LYS A 40 36.409 -66.542 -6.020 1.00 4.43 H new ATOM 0 HB2 LYS A 40 37.033 -65.215 -3.971 1.00 43.12 H new ATOM 0 HB3 LYS A 40 35.367 -65.311 -3.437 1.00 43.12 H new ATOM 0 HG2 LYS A 40 35.499 -67.583 -2.944 1.00 44.10 H new ATOM 0 HG3 LYS A 40 36.796 -67.872 -4.088 1.00 44.10 H new ATOM 0 HD2 LYS A 40 38.040 -67.933 -2.157 1.00 72.34 H new ATOM 0 HD3 LYS A 40 38.129 -66.209 -2.458 1.00 72.34 H new ATOM 0 HE2 LYS A 40 37.529 -66.599 -0.124 1.00 14.23 H new ATOM 0 HE3 LYS A 40 36.187 -65.836 -0.954 1.00 14.23 H new ATOM 0 HZ1 LYS A 40 35.805 -67.903 0.556 1.00 22.34 H new ATOM 0 HZ2 LYS A 40 34.934 -67.739 -0.893 1.00 22.34 H new ATOM 0 HZ3 LYS A 40 36.276 -68.777 -0.821 1.00 22.34 H new ATOM 672 N ARG A 41 33.251 -65.914 -5.473 1.00 0.13 N ATOM 673 CA ARG A 41 31.909 -66.483 -5.522 1.00 5.52 C ATOM 674 C ARG A 41 31.315 -66.354 -6.921 1.00 64.14 C ATOM 675 O ARG A 41 30.543 -67.206 -7.359 1.00 73.42 O ATOM 676 CB ARG A 41 31.001 -65.789 -4.505 1.00 10.10 C ATOM 677 CG ARG A 41 31.026 -64.272 -4.601 1.00 72.21 C ATOM 678 CD ARG A 41 29.624 -63.687 -4.530 1.00 2.51 C ATOM 679 NE ARG A 41 28.915 -64.109 -3.325 1.00 41.20 N ATOM 680 CZ ARG A 41 29.193 -63.650 -2.110 1.00 13.41 C ATOM 681 NH1 ARG A 41 30.159 -62.758 -1.939 1.00 51.13 N ATOM 682 NH2 ARG A 41 28.503 -64.082 -1.062 1.00 73.12 N ATOM 0 H ARG A 41 33.275 -64.897 -5.399 1.00 0.13 H new ATOM 0 HA ARG A 41 31.981 -67.542 -5.272 1.00 5.52 H new ATOM 0 HB2 ARG A 41 29.978 -66.137 -4.647 1.00 10.10 H new ATOM 0 HB3 ARG A 41 31.302 -66.086 -3.500 1.00 10.10 H new ATOM 0 HG2 ARG A 41 31.633 -63.865 -3.792 1.00 72.21 H new ATOM 0 HG3 ARG A 41 31.499 -63.973 -5.536 1.00 72.21 H new ATOM 0 HD2 ARG A 41 29.684 -62.599 -4.553 1.00 2.51 H new ATOM 0 HD3 ARG A 41 29.058 -63.994 -5.410 1.00 2.51 H new ATOM 0 HE ARG A 41 28.165 -64.794 -3.422 1.00 41.20 H new ATOM 0 HH11 ARG A 41 30.691 -62.422 -2.742 1.00 51.13 H new ATOM 0 HH12 ARG A 41 30.370 -62.408 -1.005 1.00 51.13 H new ATOM 0 HH21 ARG A 41 27.758 -64.767 -1.189 1.00 73.12 H new ATOM 0 HH22 ARG A 41 28.717 -63.729 -0.129 1.00 73.12 H new ATOM 696 N SER A 42 31.681 -65.283 -7.618 1.00 44.10 N ATOM 697 CA SER A 42 31.182 -65.040 -8.966 1.00 74.43 C ATOM 698 C SER A 42 29.657 -65.085 -8.997 1.00 32.05 C ATOM 699 O SER A 42 29.062 -65.991 -9.581 1.00 22.24 O ATOM 700 CB SER A 42 31.753 -66.074 -9.938 1.00 72.54 C ATOM 701 OG SER A 42 33.060 -65.717 -10.353 1.00 72.02 O ATOM 0 H SER A 42 32.322 -64.569 -7.271 1.00 44.10 H new ATOM 0 HA SER A 42 31.506 -64.045 -9.273 1.00 74.43 H new ATOM 0 HB2 SER A 42 31.775 -67.054 -9.460 1.00 72.54 H new ATOM 0 HB3 SER A 42 31.102 -66.158 -10.808 1.00 72.54 H new ATOM 0 HG SER A 42 33.634 -65.605 -9.566 1.00 72.02 H new ATOM 707 N PHE A 43 29.030 -64.100 -8.363 1.00 13.34 N ATOM 708 CA PHE A 43 27.574 -64.026 -8.315 1.00 41.31 C ATOM 709 C PHE A 43 27.013 -63.493 -9.631 1.00 24.34 C ATOM 710 O PHE A 43 25.878 -63.794 -10.001 1.00 22.53 O ATOM 711 CB PHE A 43 27.125 -63.132 -7.157 1.00 43.44 C ATOM 712 CG PHE A 43 26.248 -63.835 -6.162 1.00 33.20 C ATOM 713 CD1 PHE A 43 25.023 -63.299 -5.797 1.00 64.00 C ATOM 714 CD2 PHE A 43 26.647 -65.033 -5.591 1.00 5.32 C ATOM 715 CE1 PHE A 43 24.213 -63.944 -4.882 1.00 22.14 C ATOM 716 CE2 PHE A 43 25.841 -65.682 -4.675 1.00 65.53 C ATOM 717 CZ PHE A 43 24.623 -65.137 -4.319 1.00 44.03 C ATOM 0 H PHE A 43 29.507 -63.342 -7.875 1.00 13.34 H new ATOM 0 HA PHE A 43 27.189 -65.033 -8.157 1.00 41.31 H new ATOM 0 HB2 PHE A 43 28.006 -62.746 -6.644 1.00 43.44 H new ATOM 0 HB3 PHE A 43 26.588 -62.273 -7.559 1.00 43.44 H new ATOM 0 HD1 PHE A 43 24.698 -62.366 -6.233 1.00 64.00 H new ATOM 0 HD2 PHE A 43 27.599 -65.464 -5.865 1.00 5.32 H new ATOM 0 HE1 PHE A 43 23.260 -63.516 -4.607 1.00 22.14 H new ATOM 0 HE2 PHE A 43 26.164 -66.615 -4.238 1.00 65.53 H new ATOM 0 HZ PHE A 43 23.993 -65.642 -3.602 1.00 44.03 H new ATOM 727 N ILE A 44 27.817 -62.700 -10.331 1.00 71.34 N ATOM 728 CA ILE A 44 27.402 -62.126 -11.605 1.00 72.33 C ATOM 729 C ILE A 44 26.955 -63.212 -12.578 1.00 63.42 C ATOM 730 O ILE A 44 26.146 -62.964 -13.471 1.00 33.30 O ATOM 731 CB ILE A 44 28.536 -61.309 -12.251 1.00 23.20 C ATOM 732 CG1 ILE A 44 29.773 -62.186 -12.456 1.00 23.23 C ATOM 733 CG2 ILE A 44 28.874 -60.100 -11.391 1.00 71.33 C ATOM 734 CD1 ILE A 44 30.852 -61.525 -13.284 1.00 64.13 C ATOM 0 H ILE A 44 28.759 -62.440 -10.038 1.00 71.34 H new ATOM 0 HA ILE A 44 26.563 -61.463 -11.393 1.00 72.33 H new ATOM 0 HB ILE A 44 28.199 -60.955 -13.225 1.00 23.20 H new ATOM 0 HG12 ILE A 44 30.185 -62.452 -11.483 1.00 23.23 H new ATOM 0 HG13 ILE A 44 29.473 -63.116 -12.940 1.00 23.23 H new ATOM 0 HG21 ILE A 44 29.677 -59.532 -11.861 1.00 71.33 H new ATOM 0 HG22 ILE A 44 27.993 -59.467 -11.291 1.00 71.33 H new ATOM 0 HG23 ILE A 44 29.195 -60.434 -10.404 1.00 71.33 H new ATOM 0 HD11 ILE A 44 31.698 -62.204 -13.388 1.00 64.13 H new ATOM 0 HD12 ILE A 44 30.457 -61.284 -14.271 1.00 64.13 H new ATOM 0 HD13 ILE A 44 31.180 -60.610 -12.791 1.00 64.13 H new ATOM 746 N GLU A 45 27.488 -64.417 -12.397 1.00 41.22 N ATOM 747 CA GLU A 45 27.143 -65.541 -13.259 1.00 61.31 C ATOM 748 C GLU A 45 25.641 -65.808 -13.230 1.00 71.21 C ATOM 749 O GLU A 45 25.063 -66.270 -14.214 1.00 34.11 O ATOM 750 CB GLU A 45 27.904 -66.796 -12.826 1.00 73.53 C ATOM 751 CG GLU A 45 27.373 -67.418 -11.545 1.00 45.11 C ATOM 752 CD GLU A 45 28.325 -68.442 -10.956 1.00 54.51 C ATOM 753 OE1 GLU A 45 29.546 -68.319 -11.189 1.00 15.10 O ATOM 754 OE2 GLU A 45 27.849 -69.365 -10.263 1.00 53.21 O ATOM 0 H GLU A 45 28.159 -64.639 -11.662 1.00 41.22 H new ATOM 0 HA GLU A 45 27.429 -65.285 -14.279 1.00 61.31 H new ATOM 0 HB2 GLU A 45 27.855 -67.535 -13.626 1.00 73.53 H new ATOM 0 HB3 GLU A 45 28.956 -66.544 -12.689 1.00 73.53 H new ATOM 0 HG2 GLU A 45 27.191 -66.632 -10.812 1.00 45.11 H new ATOM 0 HG3 GLU A 45 26.413 -67.893 -11.747 1.00 45.11 H new ATOM 761 N ASP A 46 25.016 -65.515 -12.095 1.00 52.33 N ATOM 762 CA ASP A 46 23.581 -65.722 -11.937 1.00 21.11 C ATOM 763 C ASP A 46 22.797 -64.886 -12.943 1.00 72.05 C ATOM 764 O ASP A 46 22.006 -65.416 -13.725 1.00 34.34 O ATOM 765 CB ASP A 46 23.147 -65.369 -10.514 1.00 1.45 C ATOM 766 CG ASP A 46 23.671 -66.354 -9.487 1.00 54.11 C ATOM 767 OD1 ASP A 46 22.909 -67.262 -9.093 1.00 55.22 O ATOM 768 OD2 ASP A 46 24.842 -66.218 -9.078 1.00 45.24 O ATOM 0 H ASP A 46 25.480 -65.133 -11.271 1.00 52.33 H new ATOM 0 HA ASP A 46 23.368 -66.775 -12.123 1.00 21.11 H new ATOM 0 HB2 ASP A 46 23.501 -64.368 -10.267 1.00 1.45 H new ATOM 0 HB3 ASP A 46 22.058 -65.343 -10.465 1.00 1.45 H new ATOM 773 N LEU A 47 23.020 -63.577 -12.919 1.00 4.21 N ATOM 774 CA LEU A 47 22.334 -62.666 -13.829 1.00 30.22 C ATOM 775 C LEU A 47 22.856 -62.824 -15.253 1.00 51.23 C ATOM 776 O LEU A 47 22.144 -62.550 -16.221 1.00 2.33 O ATOM 777 CB LEU A 47 22.513 -61.220 -13.365 1.00 52.51 C ATOM 778 CG LEU A 47 21.943 -60.881 -11.987 1.00 72.02 C ATOM 779 CD1 LEU A 47 22.281 -59.448 -11.607 1.00 51.10 C ATOM 780 CD2 LEU A 47 20.437 -61.100 -11.965 1.00 10.34 C ATOM 0 H LEU A 47 23.671 -63.122 -12.279 1.00 4.21 H new ATOM 0 HA LEU A 47 21.273 -62.914 -13.821 1.00 30.22 H new ATOM 0 HB2 LEU A 47 23.578 -60.990 -13.362 1.00 52.51 H new ATOM 0 HB3 LEU A 47 22.047 -60.564 -14.100 1.00 52.51 H new ATOM 0 HG LEU A 47 22.398 -61.546 -11.253 1.00 72.02 H new ATOM 0 HD11 LEU A 47 21.867 -59.225 -10.624 1.00 51.10 H new ATOM 0 HD12 LEU A 47 23.364 -59.324 -11.582 1.00 51.10 H new ATOM 0 HD13 LEU A 47 21.855 -58.766 -12.343 1.00 51.10 H new ATOM 0 HD21 LEU A 47 20.048 -60.854 -10.977 1.00 10.34 H new ATOM 0 HD22 LEU A 47 19.965 -60.460 -12.710 1.00 10.34 H new ATOM 0 HD23 LEU A 47 20.218 -62.143 -12.192 1.00 10.34 H new ATOM 792 N LEU A 48 24.102 -63.269 -15.376 1.00 15.15 N ATOM 793 CA LEU A 48 24.719 -63.466 -16.683 1.00 11.25 C ATOM 794 C LEU A 48 23.915 -64.454 -17.521 1.00 72.12 C ATOM 795 O LEU A 48 23.674 -64.226 -18.707 1.00 64.51 O ATOM 796 CB LEU A 48 26.155 -63.967 -16.520 1.00 32.41 C ATOM 797 CG LEU A 48 26.975 -64.083 -17.805 1.00 70.22 C ATOM 798 CD1 LEU A 48 28.457 -63.918 -17.509 1.00 45.01 C ATOM 799 CD2 LEU A 48 26.711 -65.417 -18.488 1.00 20.52 C ATOM 0 H LEU A 48 24.705 -63.500 -14.586 1.00 15.15 H new ATOM 0 HA LEU A 48 24.732 -62.507 -17.200 1.00 11.25 H new ATOM 0 HB2 LEU A 48 26.678 -63.296 -15.839 1.00 32.41 H new ATOM 0 HB3 LEU A 48 26.125 -64.946 -16.042 1.00 32.41 H new ATOM 0 HG LEU A 48 26.669 -63.285 -18.481 1.00 70.22 H new ATOM 0 HD11 LEU A 48 29.025 -64.004 -18.435 1.00 45.01 H new ATOM 0 HD12 LEU A 48 28.632 -62.938 -17.065 1.00 45.01 H new ATOM 0 HD13 LEU A 48 28.778 -64.694 -16.814 1.00 45.01 H new ATOM 0 HD21 LEU A 48 27.303 -65.482 -19.401 1.00 20.52 H new ATOM 0 HD22 LEU A 48 26.988 -66.230 -17.817 1.00 20.52 H new ATOM 0 HD23 LEU A 48 25.652 -65.496 -18.736 1.00 20.52 H new ATOM 811 N PHE A 49 23.500 -65.551 -16.897 1.00 33.30 N ATOM 812 CA PHE A 49 22.721 -66.574 -17.585 1.00 62.34 C ATOM 813 C PHE A 49 21.313 -66.072 -17.891 1.00 30.32 C ATOM 814 O PHE A 49 20.746 -66.381 -18.938 1.00 42.11 O ATOM 815 CB PHE A 49 22.649 -67.846 -16.738 1.00 73.42 C ATOM 816 CG PHE A 49 21.838 -68.942 -17.370 1.00 3.12 C ATOM 817 CD1 PHE A 49 22.453 -69.934 -18.117 1.00 12.13 C ATOM 818 CD2 PHE A 49 20.462 -68.979 -17.217 1.00 74.30 C ATOM 819 CE1 PHE A 49 21.710 -70.944 -18.699 1.00 0.20 C ATOM 820 CE2 PHE A 49 19.714 -69.987 -17.797 1.00 13.25 C ATOM 821 CZ PHE A 49 20.338 -70.969 -18.539 1.00 64.44 C ATOM 0 H PHE A 49 23.690 -65.755 -15.916 1.00 33.30 H new ATOM 0 HA PHE A 49 23.219 -66.801 -18.528 1.00 62.34 H new ATOM 0 HB2 PHE A 49 23.660 -68.211 -16.558 1.00 73.42 H new ATOM 0 HB3 PHE A 49 22.220 -67.602 -15.766 1.00 73.42 H new ATOM 0 HD1 PHE A 49 23.525 -69.918 -18.246 1.00 12.13 H new ATOM 0 HD2 PHE A 49 19.968 -68.212 -16.639 1.00 74.30 H new ATOM 0 HE1 PHE A 49 22.201 -71.712 -19.278 1.00 0.20 H new ATOM 0 HE2 PHE A 49 18.642 -70.006 -17.669 1.00 13.25 H new ATOM 0 HZ PHE A 49 19.755 -71.756 -18.994 1.00 64.44 H new ATOM 831 N ASN A 50 20.754 -65.297 -16.967 1.00 43.11 N ATOM 832 CA ASN A 50 19.412 -64.752 -17.136 1.00 70.52 C ATOM 833 C ASN A 50 19.360 -63.792 -18.321 1.00 35.23 C ATOM 834 O ASN A 50 18.314 -63.616 -18.946 1.00 14.12 O ATOM 835 CB ASN A 50 18.967 -64.033 -15.862 1.00 13.34 C ATOM 836 CG ASN A 50 17.538 -63.533 -15.949 1.00 53.31 C ATOM 837 OD1 ASN A 50 17.284 -62.425 -16.422 1.00 53.12 O ATOM 838 ND2 ASN A 50 16.596 -64.350 -15.492 1.00 1.13 N ATOM 0 H ASN A 50 21.210 -65.032 -16.094 1.00 43.11 H new ATOM 0 HA ASN A 50 18.732 -65.581 -17.333 1.00 70.52 H new ATOM 0 HB2 ASN A 50 19.061 -64.711 -15.014 1.00 13.34 H new ATOM 0 HB3 ASN A 50 19.633 -63.191 -15.672 1.00 13.34 H new ATOM 0 HD21 ASN A 50 15.616 -64.068 -15.525 1.00 1.13 H new ATOM 0 HD22 ASN A 50 16.852 -65.260 -15.108 1.00 1.13 H new ATOM 845 N LYS A 51 20.496 -63.174 -18.624 1.00 54.34 N ATOM 846 CA LYS A 51 20.582 -62.232 -19.735 1.00 33.53 C ATOM 847 C LYS A 51 21.697 -62.627 -20.698 1.00 32.54 C ATOM 848 O LYS A 51 22.368 -61.770 -21.271 1.00 3.30 O ATOM 849 CB LYS A 51 20.824 -60.815 -19.211 1.00 31.10 C ATOM 850 CG LYS A 51 19.629 -60.223 -18.484 1.00 52.45 C ATOM 851 CD LYS A 51 18.879 -59.232 -19.360 1.00 31.52 C ATOM 852 CE LYS A 51 19.664 -57.942 -19.540 1.00 73.24 C ATOM 853 NZ LYS A 51 19.714 -57.143 -18.285 1.00 33.12 N ATOM 0 H LYS A 51 21.370 -63.308 -18.116 1.00 54.34 H new ATOM 0 HA LYS A 51 19.635 -62.257 -20.274 1.00 33.53 H new ATOM 0 HB2 LYS A 51 21.680 -60.828 -18.536 1.00 31.10 H new ATOM 0 HB3 LYS A 51 21.087 -60.167 -20.047 1.00 31.10 H new ATOM 0 HG2 LYS A 51 18.955 -61.023 -18.178 1.00 52.45 H new ATOM 0 HG3 LYS A 51 19.965 -59.725 -17.575 1.00 52.45 H new ATOM 0 HD2 LYS A 51 18.685 -59.680 -20.335 1.00 31.52 H new ATOM 0 HD3 LYS A 51 17.910 -59.010 -18.913 1.00 31.52 H new ATOM 0 HE2 LYS A 51 20.679 -58.176 -19.862 1.00 73.24 H new ATOM 0 HE3 LYS A 51 19.208 -57.347 -20.331 1.00 73.24 H new ATOM 0 HZ1 LYS A 51 20.043 -56.180 -18.499 1.00 33.12 H new ATOM 0 HZ2 LYS A 51 18.764 -57.099 -17.864 1.00 33.12 H new ATOM 0 HZ3 LYS A 51 20.370 -57.591 -17.614 1.00 33.12 H new ATOM 867 N VAL A 52 21.888 -63.931 -20.872 1.00 32.41 N ATOM 868 CA VAL A 52 22.920 -64.440 -21.768 1.00 12.23 C ATOM 869 C VAL A 52 22.431 -64.464 -23.212 1.00 10.15 C ATOM 870 O VAL A 52 21.228 -64.425 -23.473 1.00 21.11 O ATOM 871 CB VAL A 52 23.364 -65.858 -21.364 1.00 23.20 C ATOM 872 CG1 VAL A 52 22.321 -66.884 -21.781 1.00 45.22 C ATOM 873 CG2 VAL A 52 24.719 -66.185 -21.973 1.00 62.05 C ATOM 0 H VAL A 52 21.342 -64.654 -20.404 1.00 32.41 H new ATOM 0 HA VAL A 52 23.771 -63.764 -21.687 1.00 12.23 H new ATOM 0 HB VAL A 52 23.460 -65.894 -20.279 1.00 23.20 H new ATOM 0 HG11 VAL A 52 22.652 -67.880 -21.487 1.00 45.22 H new ATOM 0 HG12 VAL A 52 21.373 -66.658 -21.293 1.00 45.22 H new ATOM 0 HG13 VAL A 52 22.189 -66.850 -22.862 1.00 45.22 H new ATOM 0 HG21 VAL A 52 25.018 -67.191 -21.677 1.00 62.05 H new ATOM 0 HG22 VAL A 52 24.652 -66.131 -23.060 1.00 62.05 H new ATOM 0 HG23 VAL A 52 25.460 -65.468 -21.619 1.00 62.05 H new ATOM 883 N THR A 53 23.372 -64.529 -24.148 1.00 42.23 N ATOM 884 CA THR A 53 23.038 -64.558 -25.567 1.00 3.44 C ATOM 885 C THR A 53 22.526 -65.932 -25.983 1.00 41.41 C ATOM 886 O THR A 53 21.671 -66.047 -26.863 1.00 4.44 O ATOM 887 CB THR A 53 24.254 -64.190 -26.438 1.00 3.24 C ATOM 888 OG1 THR A 53 25.021 -63.163 -25.799 1.00 45.13 O ATOM 889 CG2 THR A 53 23.811 -63.717 -27.814 1.00 30.30 C ATOM 0 H THR A 53 24.372 -64.563 -23.949 1.00 42.23 H new ATOM 0 HA THR A 53 22.252 -63.818 -25.722 1.00 3.44 H new ATOM 0 HB THR A 53 24.870 -65.081 -26.559 1.00 3.24 H new ATOM 0 HG1 THR A 53 25.793 -62.936 -26.358 1.00 45.13 H new ATOM 0 HG21 THR A 53 24.687 -63.463 -28.411 1.00 30.30 H new ATOM 0 HG22 THR A 53 23.252 -64.511 -28.309 1.00 30.30 H new ATOM 0 HG23 THR A 53 23.176 -62.837 -27.709 1.00 30.30 H new ATOM 897 N LEU A 54 23.053 -66.972 -25.346 1.00 54.14 N ATOM 898 CA LEU A 54 22.648 -68.340 -25.651 1.00 14.04 C ATOM 899 C LEU A 54 21.353 -68.698 -24.928 1.00 22.25 C ATOM 900 O LEU A 54 20.891 -69.837 -24.990 1.00 14.12 O ATOM 901 CB LEU A 54 23.754 -69.320 -25.256 1.00 12.13 C ATOM 902 CG LEU A 54 24.199 -69.276 -23.793 1.00 50.15 C ATOM 903 CD1 LEU A 54 23.241 -70.071 -22.920 1.00 24.22 C ATOM 904 CD2 LEU A 54 25.618 -69.806 -23.652 1.00 23.11 C ATOM 0 H LEU A 54 23.761 -66.894 -24.616 1.00 54.14 H new ATOM 0 HA LEU A 54 22.475 -68.411 -26.725 1.00 14.04 H new ATOM 0 HB2 LEU A 54 23.414 -70.331 -25.481 1.00 12.13 H new ATOM 0 HB3 LEU A 54 24.623 -69.129 -25.885 1.00 12.13 H new ATOM 0 HG LEU A 54 24.185 -68.238 -23.459 1.00 50.15 H new ATOM 0 HD11 LEU A 54 23.573 -70.028 -21.883 1.00 24.22 H new ATOM 0 HD12 LEU A 54 22.240 -69.646 -22.998 1.00 24.22 H new ATOM 0 HD13 LEU A 54 23.222 -71.109 -23.253 1.00 24.22 H new ATOM 0 HD21 LEU A 54 25.918 -69.767 -22.605 1.00 23.11 H new ATOM 0 HD22 LEU A 54 25.658 -70.837 -24.003 1.00 23.11 H new ATOM 0 HD23 LEU A 54 26.296 -69.194 -24.247 1.00 23.11 H new ATOM 916 N ALA A 55 20.773 -67.718 -24.244 1.00 14.34 N ATOM 917 CA ALA A 55 19.529 -67.928 -23.512 1.00 64.45 C ATOM 918 C ALA A 55 18.475 -68.581 -24.399 1.00 72.45 C ATOM 919 O ALA A 55 17.726 -69.450 -23.953 1.00 31.52 O ATOM 920 CB ALA A 55 19.013 -66.609 -22.959 1.00 14.23 C ATOM 0 H ALA A 55 21.144 -66.770 -24.181 1.00 14.34 H new ATOM 0 HA ALA A 55 19.734 -68.602 -22.680 1.00 64.45 H new ATOM 0 HB1 ALA A 55 18.084 -66.781 -22.415 1.00 14.23 H new ATOM 0 HB2 ALA A 55 19.755 -66.182 -22.284 1.00 14.23 H new ATOM 0 HB3 ALA A 55 18.829 -65.917 -23.781 1.00 14.23 H new ATOM 926 N ASP A 56 18.421 -68.157 -25.657 1.00 42.21 N ATOM 927 CA ASP A 56 17.458 -68.701 -26.607 1.00 51.23 C ATOM 928 C ASP A 56 18.031 -69.919 -27.325 1.00 42.42 C ATOM 929 O ASP A 56 17.290 -70.789 -27.780 1.00 71.21 O ATOM 930 CB ASP A 56 17.057 -67.634 -27.627 1.00 41.12 C ATOM 931 CG ASP A 56 16.378 -68.225 -28.847 1.00 65.02 C ATOM 932 OD1 ASP A 56 15.465 -69.059 -28.673 1.00 12.33 O ATOM 933 OD2 ASP A 56 16.760 -67.853 -29.976 1.00 63.54 O ATOM 0 H ASP A 56 19.033 -67.438 -26.042 1.00 42.21 H new ATOM 0 HA ASP A 56 16.573 -69.012 -26.052 1.00 51.23 H new ATOM 0 HB2 ASP A 56 16.387 -66.917 -27.154 1.00 41.12 H new ATOM 0 HB3 ASP A 56 17.944 -67.083 -27.940 1.00 41.12 H new ATOM 938 N ALA A 57 19.355 -69.972 -27.424 1.00 25.02 N ATOM 939 CA ALA A 57 20.028 -71.083 -28.085 1.00 61.14 C ATOM 940 C ALA A 57 19.729 -72.403 -27.383 1.00 13.12 C ATOM 941 O ALA A 57 19.905 -73.477 -27.957 1.00 14.22 O ATOM 942 CB ALA A 57 21.529 -70.838 -28.134 1.00 51.35 C ATOM 0 H ALA A 57 19.983 -69.258 -27.055 1.00 25.02 H new ATOM 0 HA ALA A 57 19.648 -71.150 -29.104 1.00 61.14 H new ATOM 0 HB1 ALA A 57 22.018 -71.676 -28.630 1.00 51.35 H new ATOM 0 HB2 ALA A 57 21.730 -69.921 -28.687 1.00 51.35 H new ATOM 0 HB3 ALA A 57 21.915 -70.742 -27.119 1.00 51.35 H new ATOM 948 N GLY A 58 19.276 -72.315 -26.136 1.00 35.02 N ATOM 949 CA GLY A 58 18.960 -73.510 -25.375 1.00 51.03 C ATOM 950 C GLY A 58 17.782 -74.270 -25.952 1.00 61.11 C ATOM 951 O GLY A 58 17.552 -75.429 -25.606 1.00 21.02 O ATOM 0 H GLY A 58 19.122 -71.438 -25.639 1.00 35.02 H new ATOM 0 HA2 GLY A 58 19.833 -74.163 -25.350 1.00 51.03 H new ATOM 0 HA3 GLY A 58 18.740 -73.233 -24.344 1.00 51.03 H new ATOM 955 N PHE A 59 17.033 -73.617 -26.834 1.00 14.44 N ATOM 956 CA PHE A 59 15.870 -74.237 -27.458 1.00 21.41 C ATOM 957 C PHE A 59 16.254 -75.546 -28.142 1.00 20.43 C ATOM 958 O PHE A 59 15.423 -76.439 -28.308 1.00 42.21 O ATOM 959 CB PHE A 59 15.240 -73.283 -28.475 1.00 24.31 C ATOM 960 CG PHE A 59 15.953 -73.261 -29.797 1.00 0.32 C ATOM 961 CD1 PHE A 59 15.281 -73.575 -30.967 1.00 32.43 C ATOM 962 CD2 PHE A 59 17.295 -72.925 -29.869 1.00 65.25 C ATOM 963 CE1 PHE A 59 15.933 -73.555 -32.185 1.00 65.30 C ATOM 964 CE2 PHE A 59 17.953 -72.903 -31.085 1.00 3.13 C ATOM 965 CZ PHE A 59 17.272 -73.220 -32.244 1.00 12.52 C ATOM 0 H PHE A 59 17.211 -72.658 -27.133 1.00 14.44 H new ATOM 0 HA PHE A 59 15.142 -74.455 -26.676 1.00 21.41 H new ATOM 0 HB2 PHE A 59 14.201 -73.571 -28.636 1.00 24.31 H new ATOM 0 HB3 PHE A 59 15.231 -72.275 -28.059 1.00 24.31 H new ATOM 0 HD1 PHE A 59 14.234 -73.839 -30.927 1.00 32.43 H new ATOM 0 HD2 PHE A 59 17.833 -72.678 -28.966 1.00 65.25 H new ATOM 0 HE1 PHE A 59 15.397 -73.801 -33.090 1.00 65.30 H new ATOM 0 HE2 PHE A 59 18.999 -72.638 -31.128 1.00 3.13 H new ATOM 0 HZ PHE A 59 17.785 -73.206 -33.194 1.00 12.52 H new ATOM 975 N MET A 60 17.519 -75.652 -28.536 1.00 73.21 N ATOM 976 CA MET A 60 18.014 -76.852 -29.201 1.00 54.24 C ATOM 977 C MET A 60 17.691 -78.099 -28.384 1.00 42.22 C ATOM 978 O MET A 60 17.513 -79.186 -28.935 1.00 13.44 O ATOM 979 CB MET A 60 19.524 -76.751 -29.425 1.00 54.22 C ATOM 980 CG MET A 60 20.094 -77.893 -30.250 1.00 75.22 C ATOM 981 SD MET A 60 19.640 -77.786 -31.992 1.00 14.11 S ATOM 982 CE MET A 60 21.170 -78.293 -32.772 1.00 72.44 C ATOM 0 H MET A 60 18.219 -74.922 -28.406 1.00 73.21 H new ATOM 0 HA MET A 60 17.516 -76.933 -30.167 1.00 54.24 H new ATOM 0 HB2 MET A 60 19.747 -75.807 -29.923 1.00 54.22 H new ATOM 0 HB3 MET A 60 20.026 -76.727 -28.458 1.00 54.22 H new ATOM 0 HG2 MET A 60 21.180 -77.893 -30.161 1.00 75.22 H new ATOM 0 HG3 MET A 60 19.741 -78.841 -29.844 1.00 75.22 H new ATOM 0 HE1 MET A 60 21.049 -78.278 -33.855 1.00 72.44 H new ATOM 0 HE2 MET A 60 21.968 -77.608 -32.487 1.00 72.44 H new ATOM 0 HE3 MET A 60 21.426 -79.302 -32.450 1.00 72.44 H new ATOM 992 N LYS A 61 17.618 -77.935 -27.068 1.00 23.44 N ATOM 993 CA LYS A 61 17.317 -79.047 -26.174 1.00 34.14 C ATOM 994 C LYS A 61 16.030 -79.750 -26.595 1.00 11.15 C ATOM 995 O LYS A 61 15.874 -80.953 -26.389 1.00 21.14 O ATOM 996 CB LYS A 61 17.190 -78.549 -24.732 1.00 23.40 C ATOM 997 CG LYS A 61 15.905 -77.786 -24.462 1.00 60.34 C ATOM 998 CD LYS A 61 15.835 -77.302 -23.024 1.00 5.21 C ATOM 999 CE LYS A 61 16.745 -76.105 -22.794 1.00 42.33 C ATOM 1000 NZ LYS A 61 16.074 -74.823 -23.146 1.00 2.41 N ATOM 0 H LYS A 61 17.763 -77.042 -26.596 1.00 23.44 H new ATOM 0 HA LYS A 61 18.138 -79.762 -26.234 1.00 34.14 H new ATOM 0 HB2 LYS A 61 17.245 -79.402 -24.056 1.00 23.40 H new ATOM 0 HB3 LYS A 61 18.039 -77.906 -24.503 1.00 23.40 H new ATOM 0 HG2 LYS A 61 15.839 -76.933 -25.137 1.00 60.34 H new ATOM 0 HG3 LYS A 61 15.049 -78.427 -24.673 1.00 60.34 H new ATOM 0 HD2 LYS A 61 14.808 -77.032 -22.780 1.00 5.21 H new ATOM 0 HD3 LYS A 61 16.120 -78.112 -22.352 1.00 5.21 H new ATOM 0 HE2 LYS A 61 17.053 -76.079 -21.749 1.00 42.33 H new ATOM 0 HE3 LYS A 61 17.650 -76.217 -23.391 1.00 42.33 H new ATOM 0 HZ1 LYS A 61 16.687 -74.026 -22.881 1.00 2.41 H new ATOM 0 HZ2 LYS A 61 15.894 -74.795 -24.170 1.00 2.41 H new ATOM 0 HZ3 LYS A 61 15.172 -74.751 -22.633 1.00 2.41 H new ATOM 1014 N GLN A 62 15.113 -78.991 -27.186 1.00 34.14 N ATOM 1015 CA GLN A 62 13.840 -79.543 -27.636 1.00 2.22 C ATOM 1016 C GLN A 62 14.052 -80.555 -28.757 1.00 52.20 C ATOM 1017 O GLN A 62 13.530 -81.669 -28.708 1.00 24.03 O ATOM 1018 CB GLN A 62 12.914 -78.422 -28.112 1.00 63.21 C ATOM 1019 CG GLN A 62 11.445 -78.682 -27.822 1.00 20.24 C ATOM 1020 CD GLN A 62 10.955 -77.950 -26.588 1.00 44.40 C ATOM 1021 OE1 GLN A 62 9.960 -77.226 -26.636 1.00 21.34 O ATOM 1022 NE2 GLN A 62 11.654 -78.133 -25.474 1.00 20.42 N ATOM 0 H GLN A 62 15.227 -77.993 -27.364 1.00 34.14 H new ATOM 0 HA GLN A 62 13.375 -80.054 -26.793 1.00 2.22 H new ATOM 0 HB2 GLN A 62 13.211 -77.489 -27.633 1.00 63.21 H new ATOM 0 HB3 GLN A 62 13.045 -78.285 -29.185 1.00 63.21 H new ATOM 0 HG2 GLN A 62 10.849 -78.376 -28.682 1.00 20.24 H new ATOM 0 HG3 GLN A 62 11.289 -79.753 -27.691 1.00 20.24 H new ATOM 0 HE21 GLN A 62 12.472 -78.742 -25.480 1.00 20.42 H new ATOM 0 HE22 GLN A 62 11.373 -77.665 -24.613 1.00 20.42 H new ATOM 1031 N TYR A 63 14.819 -80.160 -29.767 1.00 2.54 N ATOM 1032 CA TYR A 63 15.098 -81.031 -30.902 1.00 35.11 C ATOM 1033 C TYR A 63 15.651 -82.374 -30.435 1.00 32.01 C ATOM 1034 O TYR A 63 15.264 -83.427 -30.940 1.00 65.11 O ATOM 1035 CB TYR A 63 16.090 -80.362 -31.855 1.00 15.35 C ATOM 1036 CG TYR A 63 16.102 -80.968 -33.240 1.00 12.42 C ATOM 1037 CD1 TYR A 63 14.917 -81.197 -33.929 1.00 44.13 C ATOM 1038 CD2 TYR A 63 17.297 -81.312 -33.859 1.00 1.54 C ATOM 1039 CE1 TYR A 63 14.923 -81.751 -35.195 1.00 5.11 C ATOM 1040 CE2 TYR A 63 17.313 -81.865 -35.124 1.00 52.44 C ATOM 1041 CZ TYR A 63 16.124 -82.083 -35.788 1.00 54.53 C ATOM 1042 OH TYR A 63 16.135 -82.635 -37.049 1.00 10.52 O ATOM 0 H TYR A 63 15.259 -79.241 -29.823 1.00 2.54 H new ATOM 0 HA TYR A 63 14.161 -81.208 -31.430 1.00 35.11 H new ATOM 0 HB2 TYR A 63 15.847 -79.302 -31.933 1.00 15.35 H new ATOM 0 HB3 TYR A 63 17.091 -80.429 -31.430 1.00 15.35 H new ATOM 0 HD1 TYR A 63 13.976 -80.938 -33.467 1.00 44.13 H new ATOM 0 HD2 TYR A 63 18.230 -81.144 -33.342 1.00 1.54 H new ATOM 0 HE1 TYR A 63 13.993 -81.923 -35.717 1.00 5.11 H new ATOM 0 HE2 TYR A 63 18.251 -82.125 -35.591 1.00 52.44 H new ATOM 0 HH TYR A 63 17.060 -82.809 -37.322 1.00 10.52 H new ATOM 1052 N GLY A 64 16.559 -82.328 -29.465 1.00 1.41 N ATOM 1053 CA GLY A 64 17.151 -83.546 -28.944 1.00 45.14 C ATOM 1054 C GLY A 64 18.313 -83.272 -28.009 1.00 72.44 C ATOM 1055 O GLY A 64 18.673 -82.119 -27.779 1.00 44.31 O ATOM 0 H GLY A 64 16.895 -81.469 -29.031 1.00 1.41 H new ATOM 0 HA2 GLY A 64 16.390 -84.119 -28.414 1.00 45.14 H new ATOM 0 HA3 GLY A 64 17.494 -84.163 -29.774 1.00 45.14 H new ATOM 1059 N GLU A 65 18.898 -84.336 -27.468 1.00 62.33 N ATOM 1060 CA GLU A 65 20.024 -84.204 -26.551 1.00 11.11 C ATOM 1061 C GLU A 65 21.327 -84.624 -27.224 1.00 60.54 C ATOM 1062 O GLU A 65 22.269 -83.839 -27.319 1.00 64.13 O ATOM 1063 CB GLU A 65 19.790 -85.048 -25.296 1.00 51.13 C ATOM 1064 CG GLU A 65 18.428 -84.828 -24.660 1.00 73.22 C ATOM 1065 CD GLU A 65 18.114 -83.360 -24.446 1.00 73.22 C ATOM 1066 OE1 GLU A 65 16.918 -83.000 -24.474 1.00 2.33 O ATOM 1067 OE2 GLU A 65 19.062 -82.572 -24.252 1.00 25.13 O ATOM 0 H GLU A 65 18.611 -85.298 -27.649 1.00 62.33 H new ATOM 0 HA GLU A 65 20.105 -83.155 -26.265 1.00 11.11 H new ATOM 0 HB2 GLU A 65 19.896 -86.102 -25.552 1.00 51.13 H new ATOM 0 HB3 GLU A 65 20.565 -84.818 -24.564 1.00 51.13 H new ATOM 0 HG2 GLU A 65 17.660 -85.271 -25.293 1.00 73.22 H new ATOM 0 HG3 GLU A 65 18.390 -85.347 -23.702 1.00 73.22 H new TER 1074 GLU A 65