USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 872 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 66 ASN : amide:sc= -0.381 X(o=0.56,f=0.42) USER MOD Set 1.2: A 85 SER OG : rot 79:sc= 0.939 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 22:sc= 0.616 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot -100:sc= 0.96 USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.802 (180deg=-2.08!) USER MOD Single : A 20 SER OG : rot 19:sc= 0.506 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0.667 (180deg=0.56) USER MOD Single : A 22 GLN : amide:sc=-0.000115 X(o=-0.00011,f=-0.00011) USER MOD Single : A 25 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.26) USER MOD Single : A 26 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 27 TYR OH : rot 12:sc= 0.7 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.323 USER MOD Single : A 40 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-4.2!) USER MOD Single : A 49 SER OG : rot -113:sc= 0.231 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.18) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.7 K(o=0.7,f=-0.13) USER MOD Single : A 88 SER OG : rot 18:sc= 0.507 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -6:sc= -0.76 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.609 USER MOD Single : A 101 LYS NZ :NH3+ -124:sc= -0.337 (180deg=-1.49) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.026) USER MOD Single : A 106 GLN : amide:sc= -0.997 X(o=-1,f=-1.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.002 -17.613 15.557 1.00 0.00 N ATOM 2 CA GLY A 1 -30.212 -16.402 15.441 1.00 0.00 C ATOM 3 C GLY A 1 -29.001 -16.582 14.547 1.00 0.00 C ATOM 4 O GLY A 1 -29.119 -16.578 13.322 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.817 -17.437 16.178 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.339 -17.899 14.616 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.417 -18.372 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.836 -15.601 15.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.884 -16.089 16.432 1.00 0.00 H new ATOM 8 N SER A 2 -27.833 -16.740 15.161 1.00 0.00 N ATOM 9 CA SER A 2 -26.594 -16.917 14.413 1.00 0.00 C ATOM 10 C SER A 2 -25.653 -17.874 15.139 1.00 0.00 C ATOM 11 O SER A 2 -25.703 -18.003 16.362 1.00 0.00 O ATOM 12 CB SER A 2 -25.904 -15.568 14.200 1.00 0.00 C ATOM 13 OG SER A 2 -26.772 -14.647 13.563 1.00 0.00 O ATOM 0 H SER A 2 -27.719 -16.749 16.175 1.00 0.00 H new ATOM 0 HA SER A 2 -26.843 -17.346 13.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.582 -15.165 15.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.008 -15.706 13.595 1.00 0.00 H new ATOM 0 HG SER A 2 -26.309 -13.792 13.439 1.00 0.00 H new ATOM 19 N SER A 3 -24.795 -18.543 14.375 1.00 0.00 N ATOM 20 CA SER A 3 -23.844 -19.491 14.944 1.00 0.00 C ATOM 21 C SER A 3 -22.888 -18.791 15.906 1.00 0.00 C ATOM 22 O SER A 3 -22.744 -19.195 17.059 1.00 0.00 O ATOM 23 CB SER A 3 -23.051 -20.180 13.832 1.00 0.00 C ATOM 24 OG SER A 3 -22.515 -21.414 14.277 1.00 0.00 O ATOM 0 H SER A 3 -24.739 -18.446 13.361 1.00 0.00 H new ATOM 0 HA SER A 3 -24.406 -20.242 15.499 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.698 -20.350 12.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.243 -19.528 13.499 1.00 0.00 H new ATOM 0 HG SER A 3 -22.014 -21.835 13.547 1.00 0.00 H new ATOM 30 N GLY A 4 -22.236 -17.738 15.422 1.00 0.00 N ATOM 31 CA GLY A 4 -21.303 -16.998 16.250 1.00 0.00 C ATOM 32 C GLY A 4 -20.795 -15.741 15.571 1.00 0.00 C ATOM 33 O GLY A 4 -20.572 -15.728 14.361 1.00 0.00 O ATOM 0 H GLY A 4 -22.338 -17.385 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.789 -16.729 17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.458 -17.639 16.501 1.00 0.00 H new ATOM 37 N SER A 5 -20.615 -14.681 16.352 1.00 0.00 N ATOM 38 CA SER A 5 -20.136 -13.411 15.818 1.00 0.00 C ATOM 39 C SER A 5 -18.623 -13.293 15.972 1.00 0.00 C ATOM 40 O SER A 5 -18.108 -12.248 16.368 1.00 0.00 O ATOM 41 CB SER A 5 -20.825 -12.243 16.527 1.00 0.00 C ATOM 42 OG SER A 5 -20.561 -12.265 17.920 1.00 0.00 O ATOM 0 H SER A 5 -20.793 -14.676 17.356 1.00 0.00 H new ATOM 0 HA SER A 5 -20.379 -13.377 14.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.479 -11.301 16.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.900 -12.293 16.357 1.00 0.00 H new ATOM 0 HG SER A 5 -21.011 -11.508 18.350 1.00 0.00 H new ATOM 48 N SER A 6 -17.916 -14.373 15.654 1.00 0.00 N ATOM 49 CA SER A 6 -16.462 -14.394 15.760 1.00 0.00 C ATOM 50 C SER A 6 -15.861 -15.402 14.785 1.00 0.00 C ATOM 51 O SER A 6 -16.414 -16.480 14.569 1.00 0.00 O ATOM 52 CB SER A 6 -16.038 -14.734 17.190 1.00 0.00 C ATOM 53 OG SER A 6 -14.630 -14.858 17.289 1.00 0.00 O ATOM 0 H SER A 6 -18.327 -15.245 15.321 1.00 0.00 H new ATOM 0 HA SER A 6 -16.089 -13.402 15.505 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.386 -13.957 17.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.511 -15.665 17.501 1.00 0.00 H new ATOM 0 HG SER A 6 -14.385 -15.074 18.213 1.00 0.00 H new ATOM 59 N GLY A 7 -14.723 -15.043 14.199 1.00 0.00 N ATOM 60 CA GLY A 7 -14.064 -15.926 13.254 1.00 0.00 C ATOM 61 C GLY A 7 -12.570 -16.020 13.493 1.00 0.00 C ATOM 62 O GLY A 7 -12.025 -15.314 14.341 1.00 0.00 O ATOM 0 H GLY A 7 -14.246 -14.156 14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.503 -16.921 13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.245 -15.568 12.240 1.00 0.00 H new ATOM 66 N MET A 8 -11.907 -16.896 12.746 1.00 0.00 N ATOM 67 CA MET A 8 -10.467 -17.081 12.882 1.00 0.00 C ATOM 68 C MET A 8 -9.729 -16.510 11.675 1.00 0.00 C ATOM 69 O MET A 8 -9.914 -16.970 10.548 1.00 0.00 O ATOM 70 CB MET A 8 -10.134 -18.566 13.042 1.00 0.00 C ATOM 71 CG MET A 8 -10.385 -19.097 14.444 1.00 0.00 C ATOM 72 SD MET A 8 -9.758 -20.772 14.674 1.00 0.00 S ATOM 73 CE MET A 8 -11.227 -21.603 15.274 1.00 0.00 C ATOM 0 H MET A 8 -12.344 -17.489 12.040 1.00 0.00 H new ATOM 0 HA MET A 8 -10.140 -16.545 13.773 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.728 -19.142 12.332 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.087 -18.725 12.784 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.914 -18.434 15.169 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.456 -19.083 14.648 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.000 -22.652 15.463 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.560 -21.131 16.199 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.016 -21.532 14.526 1.00 0.00 H new ATOM 83 N ALA A 9 -8.895 -15.505 11.918 1.00 0.00 N ATOM 84 CA ALA A 9 -8.129 -14.873 10.851 1.00 0.00 C ATOM 85 C ALA A 9 -8.951 -14.771 9.571 1.00 0.00 C ATOM 86 O ALA A 9 -8.451 -15.036 8.478 1.00 0.00 O ATOM 87 CB ALA A 9 -6.843 -15.646 10.595 1.00 0.00 C ATOM 0 H ALA A 9 -8.732 -15.111 12.845 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.875 -13.862 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.281 -15.163 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.241 -15.662 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.085 -16.668 10.302 1.00 0.00 H new ATOM 93 N SER A 10 -10.215 -14.386 9.714 1.00 0.00 N ATOM 94 CA SER A 10 -11.108 -14.253 8.569 1.00 0.00 C ATOM 95 C SER A 10 -10.811 -12.973 7.794 1.00 0.00 C ATOM 96 O SER A 10 -10.398 -13.016 6.634 1.00 0.00 O ATOM 97 CB SER A 10 -12.567 -14.257 9.030 1.00 0.00 C ATOM 98 OG SER A 10 -12.951 -15.540 9.495 1.00 0.00 O ATOM 0 H SER A 10 -10.644 -14.161 10.612 1.00 0.00 H new ATOM 0 HA SER A 10 -10.941 -15.104 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.703 -13.523 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.213 -13.957 8.205 1.00 0.00 H new ATOM 0 HG SER A 10 -13.887 -15.516 9.785 1.00 0.00 H new ATOM 104 N THR A 11 -11.026 -11.833 8.443 1.00 0.00 N ATOM 105 CA THR A 11 -10.783 -10.540 7.816 1.00 0.00 C ATOM 106 C THR A 11 -9.844 -9.686 8.661 1.00 0.00 C ATOM 107 O THR A 11 -10.149 -9.360 9.808 1.00 0.00 O ATOM 108 CB THR A 11 -12.098 -9.768 7.593 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.700 -9.452 8.853 1.00 0.00 O ATOM 110 CG2 THR A 11 -13.067 -10.584 6.751 1.00 0.00 C ATOM 0 H THR A 11 -11.368 -11.779 9.402 1.00 0.00 H new ATOM 0 HA THR A 11 -10.318 -10.740 6.851 1.00 0.00 H new ATOM 0 HB THR A 11 -11.867 -8.845 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.018 -9.476 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.988 -10.019 6.607 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.616 -10.797 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.292 -11.521 7.261 1.00 0.00 H new ATOM 118 N PHE A 12 -8.700 -9.328 8.087 1.00 0.00 N ATOM 119 CA PHE A 12 -7.716 -8.512 8.788 1.00 0.00 C ATOM 120 C PHE A 12 -8.155 -7.052 8.838 1.00 0.00 C ATOM 121 O PHE A 12 -9.126 -6.663 8.190 1.00 0.00 O ATOM 122 CB PHE A 12 -6.351 -8.623 8.105 1.00 0.00 C ATOM 123 CG PHE A 12 -5.677 -9.947 8.322 1.00 0.00 C ATOM 124 CD1 PHE A 12 -6.158 -11.093 7.708 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.563 -10.047 9.139 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.540 -12.313 7.907 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.941 -11.264 9.342 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.429 -12.399 8.724 1.00 0.00 C ATOM 0 H PHE A 12 -8.432 -9.590 7.138 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.635 -8.883 9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.475 -8.459 7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.703 -7.829 8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.025 -11.032 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.176 -9.163 9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.925 -13.199 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.074 -11.328 9.983 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.943 -13.351 8.879 1.00 0.00 H new ATOM 138 N ASN A 13 -7.433 -6.249 9.612 1.00 0.00 N ATOM 139 CA ASN A 13 -7.748 -4.832 9.749 1.00 0.00 C ATOM 140 C ASN A 13 -6.550 -3.968 9.365 1.00 0.00 C ATOM 141 O ASN A 13 -5.743 -3.574 10.207 1.00 0.00 O ATOM 142 CB ASN A 13 -8.178 -4.519 11.183 1.00 0.00 C ATOM 143 CG ASN A 13 -9.255 -5.462 11.683 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.421 -5.347 11.305 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.868 -6.402 12.537 1.00 0.00 N ATOM 0 H ASN A 13 -6.625 -6.556 10.154 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.571 -4.602 9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.311 -4.581 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.545 -3.494 11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.548 -7.066 12.907 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.891 -6.460 12.823 1.00 0.00 H new ATOM 152 N PRO A 14 -6.431 -3.666 8.064 1.00 0.00 N ATOM 153 CA PRO A 14 -5.336 -2.845 7.539 1.00 0.00 C ATOM 154 C PRO A 14 -5.447 -1.386 7.968 1.00 0.00 C ATOM 155 O PRO A 14 -6.509 -0.936 8.399 1.00 0.00 O ATOM 156 CB PRO A 14 -5.496 -2.970 6.021 1.00 0.00 C ATOM 157 CG PRO A 14 -6.938 -3.281 5.816 1.00 0.00 C ATOM 158 CD PRO A 14 -7.357 -4.101 7.005 1.00 0.00 C ATOM 0 HA PRO A 14 -4.365 -3.176 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.215 -2.046 5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.860 -3.759 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.528 -2.367 5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.090 -3.832 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.395 -3.912 7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.268 -5.169 6.808 1.00 0.00 H new ATOM 166 N ARG A 15 -4.346 -0.653 7.848 1.00 0.00 N ATOM 167 CA ARG A 15 -4.320 0.755 8.224 1.00 0.00 C ATOM 168 C ARG A 15 -4.469 1.649 6.997 1.00 0.00 C ATOM 169 O ARG A 15 -3.749 1.491 6.012 1.00 0.00 O ATOM 170 CB ARG A 15 -3.017 1.086 8.954 1.00 0.00 C ATOM 171 CG ARG A 15 -3.029 2.444 9.636 1.00 0.00 C ATOM 172 CD ARG A 15 -1.873 2.587 10.614 1.00 0.00 C ATOM 173 NE ARG A 15 -1.796 3.932 11.177 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.636 4.393 12.097 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.612 3.621 12.555 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.501 5.629 12.561 1.00 0.00 N ATOM 0 H ARG A 15 -3.459 -1.011 7.493 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.161 0.942 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.823 0.316 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.193 1.054 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.970 3.231 8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.973 2.579 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.989 1.863 11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.937 2.352 10.106 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.057 4.552 10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.719 2.670 12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.255 3.978 13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.752 6.226 12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.147 5.982 13.267 1.00 0.00 H new ATOM 190 N GLU A 16 -5.409 2.587 7.064 1.00 0.00 N ATOM 191 CA GLU A 16 -5.653 3.504 5.958 1.00 0.00 C ATOM 192 C GLU A 16 -4.778 4.748 6.079 1.00 0.00 C ATOM 193 O GLU A 16 -4.451 5.185 7.184 1.00 0.00 O ATOM 194 CB GLU A 16 -7.128 3.907 5.916 1.00 0.00 C ATOM 195 CG GLU A 16 -7.492 4.761 4.712 1.00 0.00 C ATOM 196 CD GLU A 16 -7.884 3.930 3.505 1.00 0.00 C ATOM 197 OE1 GLU A 16 -6.977 3.461 2.787 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.099 3.750 3.280 1.00 0.00 O ATOM 0 H GLU A 16 -6.014 2.731 7.873 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.398 2.990 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.742 3.006 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.372 4.454 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.317 5.423 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.645 5.396 4.452 1.00 0.00 H new ATOM 205 N CYS A 17 -4.401 5.313 4.938 1.00 0.00 N ATOM 206 CA CYS A 17 -3.562 6.506 4.915 1.00 0.00 C ATOM 207 C CYS A 17 -3.999 7.457 3.806 1.00 0.00 C ATOM 208 O CYS A 17 -4.233 7.040 2.671 1.00 0.00 O ATOM 209 CB CYS A 17 -2.095 6.120 4.723 1.00 0.00 C ATOM 210 SG CYS A 17 -1.451 5.011 5.999 1.00 0.00 S ATOM 0 H CYS A 17 -4.663 4.964 4.016 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.674 7.016 5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.980 5.642 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.491 7.027 4.706 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.768 5.698 6.866 1.00 0.00 H new ATOM 216 N LYS A 18 -4.109 8.738 4.141 1.00 0.00 N ATOM 217 CA LYS A 18 -4.519 9.750 3.175 1.00 0.00 C ATOM 218 C LYS A 18 -3.422 10.792 2.980 1.00 0.00 C ATOM 219 O LYS A 18 -3.162 11.608 3.865 1.00 0.00 O ATOM 220 CB LYS A 18 -5.809 10.432 3.635 1.00 0.00 C ATOM 221 CG LYS A 18 -7.069 9.703 3.206 1.00 0.00 C ATOM 222 CD LYS A 18 -8.258 10.086 4.071 1.00 0.00 C ATOM 223 CE LYS A 18 -8.330 9.233 5.329 1.00 0.00 C ATOM 224 NZ LYS A 18 -7.378 9.702 6.373 1.00 0.00 N ATOM 0 H LYS A 18 -3.920 9.100 5.076 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.698 9.254 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.799 10.514 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.834 11.447 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.287 9.935 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.906 8.627 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.185 11.138 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.178 9.970 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.345 9.257 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.110 8.195 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.755 9.473 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.460 9.230 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.253 10.731 6.292 1.00 0.00 H new ATOM 238 N LEU A 19 -2.781 10.760 1.816 1.00 0.00 N ATOM 239 CA LEU A 19 -1.713 11.703 1.505 1.00 0.00 C ATOM 240 C LEU A 19 -2.252 12.898 0.726 1.00 0.00 C ATOM 241 O LEU A 19 -3.097 12.747 -0.156 1.00 0.00 O ATOM 242 CB LEU A 19 -0.612 11.009 0.700 1.00 0.00 C ATOM 243 CG LEU A 19 0.502 10.352 1.515 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.034 9.154 2.283 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.651 9.936 0.608 1.00 0.00 C ATOM 0 H LEU A 19 -2.983 10.091 1.073 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.295 12.064 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.074 10.247 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.161 11.742 0.031 1.00 0.00 H new ATOM 0 HG LEU A 19 0.878 11.080 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.773 8.699 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.823 9.480 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.437 8.423 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.435 9.470 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.289 9.225 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.053 10.815 0.103 1.00 0.00 H new ATOM 257 N SER A 20 -1.755 14.086 1.056 1.00 0.00 N ATOM 258 CA SER A 20 -2.188 15.308 0.389 1.00 0.00 C ATOM 259 C SER A 20 -0.990 16.173 0.008 1.00 0.00 C ATOM 260 O SER A 20 -0.177 16.537 0.858 1.00 0.00 O ATOM 261 CB SER A 20 -3.136 16.100 1.292 1.00 0.00 C ATOM 262 OG SER A 20 -2.436 16.689 2.374 1.00 0.00 O ATOM 0 H SER A 20 -1.052 14.228 1.781 1.00 0.00 H new ATOM 0 HA SER A 20 -2.716 15.027 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.633 16.876 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.915 15.440 1.675 1.00 0.00 H new ATOM 0 HG SER A 20 -1.480 16.728 2.162 1.00 0.00 H new ATOM 268 N LYS A 21 -0.887 16.497 -1.276 1.00 0.00 N ATOM 269 CA LYS A 21 0.210 17.320 -1.773 1.00 0.00 C ATOM 270 C LYS A 21 -0.251 18.202 -2.928 1.00 0.00 C ATOM 271 O LYS A 21 -1.346 18.020 -3.460 1.00 0.00 O ATOM 272 CB LYS A 21 1.374 16.435 -2.225 1.00 0.00 C ATOM 273 CG LYS A 21 1.153 15.787 -3.581 1.00 0.00 C ATOM 274 CD LYS A 21 2.390 15.038 -4.049 1.00 0.00 C ATOM 275 CE LYS A 21 2.216 14.501 -5.461 1.00 0.00 C ATOM 276 NZ LYS A 21 2.178 15.596 -6.470 1.00 0.00 N ATOM 0 H LYS A 21 -1.550 16.202 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 21 0.546 17.964 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.283 17.035 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.537 15.655 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.310 15.099 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.891 16.552 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.253 15.703 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.596 14.213 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.035 13.820 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.294 13.922 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.195 15.188 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.308 16.152 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.005 16.214 -6.343 1.00 0.00 H new ATOM 290 N GLN A 22 0.592 19.156 -3.311 1.00 0.00 N ATOM 291 CA GLN A 22 0.269 20.065 -4.405 1.00 0.00 C ATOM 292 C GLN A 22 0.731 19.494 -5.742 1.00 0.00 C ATOM 293 O GLN A 22 1.519 18.550 -5.785 1.00 0.00 O ATOM 294 CB GLN A 22 0.918 21.430 -4.169 1.00 0.00 C ATOM 295 CG GLN A 22 0.204 22.270 -3.122 1.00 0.00 C ATOM 296 CD GLN A 22 -1.056 22.922 -3.657 1.00 0.00 C ATOM 297 OE1 GLN A 22 -0.995 23.904 -4.398 1.00 0.00 O ATOM 298 NE2 GLN A 22 -2.208 22.378 -3.283 1.00 0.00 N ATOM 0 H GLN A 22 1.502 19.319 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.814 20.185 -4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.953 21.283 -3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.941 21.980 -5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.051 21.641 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.881 23.042 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.212 21.565 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.089 22.774 -3.611 1.00 0.00 H new ATOM 307 N GLU A 23 0.233 20.073 -6.830 1.00 0.00 N ATOM 308 CA GLU A 23 0.594 19.620 -8.168 1.00 0.00 C ATOM 309 C GLU A 23 2.053 19.942 -8.477 1.00 0.00 C ATOM 310 O GLU A 23 2.409 21.096 -8.712 1.00 0.00 O ATOM 311 CB GLU A 23 -0.315 20.270 -9.213 1.00 0.00 C ATOM 312 CG GLU A 23 -1.576 19.473 -9.502 1.00 0.00 C ATOM 313 CD GLU A 23 -1.316 18.267 -10.384 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.314 17.561 -10.141 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.112 18.029 -11.315 1.00 0.00 O ATOM 0 H GLU A 23 -0.421 20.856 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 23 0.463 18.539 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.595 21.266 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.244 20.398 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.015 19.142 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.308 20.121 -9.985 1.00 0.00 H new ATOM 322 N GLY A 24 2.895 18.912 -8.472 1.00 0.00 N ATOM 323 CA GLY A 24 4.306 19.106 -8.752 1.00 0.00 C ATOM 324 C GLY A 24 5.186 18.739 -7.573 1.00 0.00 C ATOM 325 O GLY A 24 6.301 18.250 -7.752 1.00 0.00 O ATOM 0 H GLY A 24 2.625 17.947 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.589 18.502 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.480 20.148 -9.021 1.00 0.00 H new ATOM 329 N GLN A 25 4.685 18.978 -6.366 1.00 0.00 N ATOM 330 CA GLN A 25 5.435 18.672 -5.154 1.00 0.00 C ATOM 331 C GLN A 25 5.515 17.166 -4.929 1.00 0.00 C ATOM 332 O GLN A 25 4.747 16.400 -5.509 1.00 0.00 O ATOM 333 CB GLN A 25 4.787 19.346 -3.943 1.00 0.00 C ATOM 334 CG GLN A 25 5.734 19.528 -2.768 1.00 0.00 C ATOM 335 CD GLN A 25 6.940 20.377 -3.116 1.00 0.00 C ATOM 336 OE1 GLN A 25 6.813 21.568 -3.405 1.00 0.00 O ATOM 337 NE2 GLN A 25 8.120 19.769 -3.091 1.00 0.00 N ATOM 0 H GLN A 25 3.763 19.382 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 25 6.447 19.057 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.402 20.321 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.932 18.751 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.196 19.990 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.070 18.550 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.179 18.781 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.967 20.290 -3.317 1.00 0.00 H new ATOM 346 N ASN A 26 6.451 16.747 -4.083 1.00 0.00 N ATOM 347 CA ASN A 26 6.632 15.332 -3.782 1.00 0.00 C ATOM 348 C ASN A 26 5.954 14.964 -2.466 1.00 0.00 C ATOM 349 O ASN A 26 5.455 15.832 -1.749 1.00 0.00 O ATOM 350 CB ASN A 26 8.122 14.990 -3.714 1.00 0.00 C ATOM 351 CG ASN A 26 8.706 14.676 -5.078 1.00 0.00 C ATOM 352 OD1 ASN A 26 7.975 14.390 -6.027 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.028 14.727 -5.182 1.00 0.00 N ATOM 0 H ASN A 26 7.096 17.368 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 26 6.169 14.754 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.664 15.827 -3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.266 14.134 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.478 14.525 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.595 14.969 -4.369 1.00 0.00 H new ATOM 360 N TYR A 27 5.942 13.673 -2.154 1.00 0.00 N ATOM 361 CA TYR A 27 5.324 13.190 -0.925 1.00 0.00 C ATOM 362 C TYR A 27 6.377 12.927 0.148 1.00 0.00 C ATOM 363 O TYR A 27 6.133 13.129 1.336 1.00 0.00 O ATOM 364 CB TYR A 27 4.528 11.913 -1.197 1.00 0.00 C ATOM 365 CG TYR A 27 3.143 12.168 -1.746 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.256 13.008 -1.085 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.721 11.570 -2.927 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.989 13.244 -1.583 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.457 11.801 -3.434 1.00 0.00 C ATOM 370 CZ TYR A 27 0.594 12.638 -2.757 1.00 0.00 C ATOM 371 OH TYR A 27 -0.667 12.871 -3.257 1.00 0.00 O ATOM 0 H TYR A 27 6.353 12.942 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 27 4.646 13.963 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.081 11.294 -1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.444 11.343 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.562 13.485 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.393 10.913 -3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.312 13.899 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.146 11.329 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.076 13.621 -2.777 1.00 0.00 H new ATOM 381 N GLY A 28 7.551 12.475 -0.283 1.00 0.00 N ATOM 382 CA GLY A 28 8.625 12.192 0.651 1.00 0.00 C ATOM 383 C GLY A 28 8.915 10.709 0.769 1.00 0.00 C ATOM 384 O GLY A 28 9.981 10.313 1.241 1.00 0.00 O ATOM 0 H GLY A 28 7.777 12.300 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.528 12.711 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.362 12.587 1.632 1.00 0.00 H new ATOM 388 N PHE A 29 7.963 9.886 0.341 1.00 0.00 N ATOM 389 CA PHE A 29 8.120 8.437 0.404 1.00 0.00 C ATOM 390 C PHE A 29 8.303 7.849 -0.992 1.00 0.00 C ATOM 391 O PHE A 29 7.774 8.373 -1.973 1.00 0.00 O ATOM 392 CB PHE A 29 6.906 7.800 1.083 1.00 0.00 C ATOM 393 CG PHE A 29 5.794 7.466 0.131 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.958 8.459 -0.355 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.583 6.159 -0.277 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.934 8.154 -1.232 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.560 5.848 -1.154 1.00 0.00 C ATOM 398 CZ PHE A 29 3.734 6.847 -1.631 1.00 0.00 C ATOM 0 H PHE A 29 7.075 10.197 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 29 9.012 8.218 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.221 6.890 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.528 8.480 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.108 9.483 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.225 5.374 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.291 8.937 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.407 4.825 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.933 6.607 -2.315 1.00 0.00 H new ATOM 408 N PHE A 30 9.056 6.757 -1.073 1.00 0.00 N ATOM 409 CA PHE A 30 9.311 6.098 -2.349 1.00 0.00 C ATOM 410 C PHE A 30 8.793 4.663 -2.332 1.00 0.00 C ATOM 411 O PHE A 30 8.621 4.065 -1.269 1.00 0.00 O ATOM 412 CB PHE A 30 10.808 6.108 -2.662 1.00 0.00 C ATOM 413 CG PHE A 30 11.287 7.400 -3.259 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.944 7.748 -4.556 1.00 0.00 C ATOM 415 CD2 PHE A 30 12.081 8.266 -2.525 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.383 8.937 -5.108 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.523 9.456 -3.072 1.00 0.00 C ATOM 418 CZ PHE A 30 12.174 9.791 -4.366 1.00 0.00 C ATOM 0 H PHE A 30 9.500 6.310 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 30 8.781 6.648 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.364 5.913 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.032 5.294 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.327 7.083 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.358 8.008 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.107 9.198 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.140 10.123 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.519 10.719 -4.796 1.00 0.00 H new ATOM 428 N LEU A 31 8.545 4.115 -3.517 1.00 0.00 N ATOM 429 CA LEU A 31 8.046 2.750 -3.640 1.00 0.00 C ATOM 430 C LEU A 31 9.111 1.833 -4.232 1.00 0.00 C ATOM 431 O LEU A 31 9.492 1.977 -5.394 1.00 0.00 O ATOM 432 CB LEU A 31 6.790 2.722 -4.513 1.00 0.00 C ATOM 433 CG LEU A 31 5.471 3.027 -3.801 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.409 3.451 -4.803 1.00 0.00 C ATOM 435 CD2 LEU A 31 5.003 1.818 -3.004 1.00 0.00 C ATOM 0 H LEU A 31 8.681 4.595 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 31 7.796 2.389 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.918 3.441 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.713 1.736 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 31 5.637 3.852 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.478 3.664 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.742 4.346 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.245 2.648 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.063 2.053 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.854 0.974 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.756 1.560 -2.259 1.00 0.00 H new ATOM 447 N ARG A 32 9.585 0.888 -3.427 1.00 0.00 N ATOM 448 CA ARG A 32 10.605 -0.054 -3.872 1.00 0.00 C ATOM 449 C ARG A 32 10.016 -1.452 -4.043 1.00 0.00 C ATOM 450 O ARG A 32 8.911 -1.732 -3.578 1.00 0.00 O ATOM 451 CB ARG A 32 11.762 -0.096 -2.872 1.00 0.00 C ATOM 452 CG ARG A 32 12.409 1.259 -2.633 1.00 0.00 C ATOM 453 CD ARG A 32 12.974 1.841 -3.920 1.00 0.00 C ATOM 454 NE ARG A 32 13.907 2.934 -3.662 1.00 0.00 N ATOM 455 CZ ARG A 32 14.809 3.353 -4.543 1.00 0.00 C ATOM 456 NH1 ARG A 32 14.899 2.774 -5.732 1.00 0.00 N ATOM 457 NH2 ARG A 32 15.624 4.354 -4.235 1.00 0.00 N ATOM 0 H ARG A 32 9.279 0.754 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 32 10.980 0.285 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.397 -0.487 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.519 -0.792 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.674 1.946 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.207 1.158 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.481 1.056 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.157 2.202 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 32 13.864 3.401 -2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.275 2.004 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.593 3.098 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.558 4.802 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.316 4.675 -4.912 1.00 0.00 H new ATOM 471 N ILE A 33 10.762 -2.324 -4.712 1.00 0.00 N ATOM 472 CA ILE A 33 10.314 -3.692 -4.944 1.00 0.00 C ATOM 473 C ILE A 33 11.406 -4.695 -4.589 1.00 0.00 C ATOM 474 O ILE A 33 12.595 -4.388 -4.671 1.00 0.00 O ATOM 475 CB ILE A 33 9.893 -3.906 -6.410 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.052 -3.571 -7.351 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.674 -3.057 -6.740 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.942 -4.756 -7.658 1.00 0.00 C ATOM 0 H ILE A 33 11.679 -2.108 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 33 9.450 -3.855 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 33 9.630 -4.955 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.650 -3.177 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.655 -2.780 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.388 -3.219 -7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.847 -3.339 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.912 -2.004 -6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.742 -4.446 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.373 -5.137 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.353 -5.540 -8.133 1.00 0.00 H new ATOM 490 N GLU A 34 10.994 -5.896 -4.196 1.00 0.00 N ATOM 491 CA GLU A 34 11.938 -6.946 -3.830 1.00 0.00 C ATOM 492 C GLU A 34 11.692 -8.209 -4.650 1.00 0.00 C ATOM 493 O GLU A 34 10.589 -8.437 -5.146 1.00 0.00 O ATOM 494 CB GLU A 34 11.827 -7.264 -2.337 1.00 0.00 C ATOM 495 CG GLU A 34 12.246 -6.113 -1.437 1.00 0.00 C ATOM 496 CD GLU A 34 13.751 -6.012 -1.283 1.00 0.00 C ATOM 497 OE1 GLU A 34 14.452 -5.965 -2.315 1.00 0.00 O ATOM 498 OE2 GLU A 34 14.228 -5.979 -0.129 1.00 0.00 O ATOM 0 H GLU A 34 10.013 -6.166 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 34 12.944 -6.585 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.797 -7.537 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.445 -8.133 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.863 -5.178 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.792 -6.241 -0.455 1.00 0.00 H new ATOM 505 N LYS A 35 12.730 -9.027 -4.789 1.00 0.00 N ATOM 506 CA LYS A 35 12.629 -10.269 -5.548 1.00 0.00 C ATOM 507 C LYS A 35 11.915 -11.345 -4.737 1.00 0.00 C ATOM 508 O LYS A 35 12.159 -11.499 -3.540 1.00 0.00 O ATOM 509 CB LYS A 35 14.022 -10.758 -5.951 1.00 0.00 C ATOM 510 CG LYS A 35 13.999 -11.931 -6.917 1.00 0.00 C ATOM 511 CD LYS A 35 13.990 -11.463 -8.362 1.00 0.00 C ATOM 512 CE LYS A 35 14.431 -12.569 -9.309 1.00 0.00 C ATOM 513 NZ LYS A 35 13.903 -12.363 -10.686 1.00 0.00 N ATOM 0 H LYS A 35 13.651 -8.853 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 35 12.046 -10.071 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.570 -9.933 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.570 -11.047 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.870 -12.563 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.118 -12.543 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.988 -11.130 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.652 -10.604 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.520 -12.608 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.088 -13.531 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.226 -13.137 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.863 -12.351 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.251 -11.457 -11.059 1.00 0.00 H new ATOM 527 N ASP A 36 11.034 -12.089 -5.397 1.00 0.00 N ATOM 528 CA ASP A 36 10.287 -13.154 -4.738 1.00 0.00 C ATOM 529 C ASP A 36 9.569 -12.628 -3.499 1.00 0.00 C ATOM 530 O ASP A 36 9.504 -13.303 -2.471 1.00 0.00 O ATOM 531 CB ASP A 36 11.223 -14.300 -4.352 1.00 0.00 C ATOM 532 CG ASP A 36 12.183 -14.665 -5.467 1.00 0.00 C ATOM 533 OD1 ASP A 36 11.839 -14.432 -6.646 1.00 0.00 O ATOM 534 OD2 ASP A 36 13.278 -15.182 -5.163 1.00 0.00 O ATOM 0 H ASP A 36 10.820 -11.974 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 36 9.540 -13.526 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.791 -14.018 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.630 -15.175 -4.086 1.00 0.00 H new ATOM 539 N THR A 37 9.032 -11.416 -3.603 1.00 0.00 N ATOM 540 CA THR A 37 8.321 -10.798 -2.491 1.00 0.00 C ATOM 541 C THR A 37 6.929 -10.341 -2.914 1.00 0.00 C ATOM 542 O THR A 37 6.722 -9.923 -4.053 1.00 0.00 O ATOM 543 CB THR A 37 9.096 -9.591 -1.930 1.00 0.00 C ATOM 544 OG1 THR A 37 10.492 -9.900 -1.848 1.00 0.00 O ATOM 545 CG2 THR A 37 8.576 -9.205 -0.554 1.00 0.00 C ATOM 0 H THR A 37 9.076 -10.843 -4.446 1.00 0.00 H new ATOM 0 HA THR A 37 8.231 -11.556 -1.713 1.00 0.00 H new ATOM 0 HB THR A 37 8.949 -8.748 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.861 -9.529 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.139 -8.350 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.521 -8.942 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.695 -10.046 0.129 1.00 0.00 H new ATOM 553 N ASP A 38 5.979 -10.423 -1.990 1.00 0.00 N ATOM 554 CA ASP A 38 4.606 -10.016 -2.267 1.00 0.00 C ATOM 555 C ASP A 38 4.337 -8.612 -1.734 1.00 0.00 C ATOM 556 O ASP A 38 4.681 -8.293 -0.596 1.00 0.00 O ATOM 557 CB ASP A 38 3.622 -11.008 -1.645 1.00 0.00 C ATOM 558 CG ASP A 38 3.507 -12.290 -2.447 1.00 0.00 C ATOM 559 OD1 ASP A 38 4.399 -13.154 -2.316 1.00 0.00 O ATOM 560 OD2 ASP A 38 2.525 -12.428 -3.205 1.00 0.00 O ATOM 0 H ASP A 38 6.134 -10.768 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 38 4.467 -10.008 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.942 -11.245 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.640 -10.541 -1.568 1.00 0.00 H new ATOM 565 N GLY A 39 3.721 -7.777 -2.565 1.00 0.00 N ATOM 566 CA GLY A 39 3.418 -6.417 -2.159 1.00 0.00 C ATOM 567 C GLY A 39 4.538 -5.450 -2.490 1.00 0.00 C ATOM 568 O GLY A 39 5.561 -5.842 -3.052 1.00 0.00 O ATOM 0 H GLY A 39 3.427 -8.018 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.502 -6.090 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.228 -6.395 -1.086 1.00 0.00 H new ATOM 572 N HIS A 40 4.345 -4.182 -2.142 1.00 0.00 N ATOM 573 CA HIS A 40 5.347 -3.155 -2.407 1.00 0.00 C ATOM 574 C HIS A 40 5.805 -2.496 -1.110 1.00 0.00 C ATOM 575 O HIS A 40 5.004 -1.904 -0.385 1.00 0.00 O ATOM 576 CB HIS A 40 4.786 -2.099 -3.359 1.00 0.00 C ATOM 577 CG HIS A 40 4.823 -2.509 -4.799 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.858 -2.181 -5.649 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.945 -3.228 -5.537 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.614 -2.678 -6.848 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.459 -3.318 -6.807 1.00 0.00 N ATOM 0 H HIS A 40 3.504 -3.841 -1.676 1.00 0.00 H new ATOM 0 HA HIS A 40 6.208 -3.634 -2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.756 -1.880 -3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.352 -1.176 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.014 -3.652 -5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.251 -2.578 -7.715 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.020 -3.801 -7.591 1.00 0.00 H new ATOM 590 N LEU A 41 7.098 -2.604 -0.822 1.00 0.00 N ATOM 591 CA LEU A 41 7.663 -2.019 0.389 1.00 0.00 C ATOM 592 C LEU A 41 8.009 -0.549 0.174 1.00 0.00 C ATOM 593 O LEU A 41 8.297 -0.127 -0.947 1.00 0.00 O ATOM 594 CB LEU A 41 8.912 -2.792 0.817 1.00 0.00 C ATOM 595 CG LEU A 41 8.667 -4.100 1.569 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.336 -5.221 0.596 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.880 -4.465 2.413 1.00 0.00 C ATOM 0 H LEU A 41 7.774 -3.091 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 41 6.914 -2.085 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.501 -3.013 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.519 -2.142 1.447 1.00 0.00 H new ATOM 0 HG LEU A 41 7.815 -3.960 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.165 -6.144 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.438 -4.962 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.168 -5.361 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.688 -5.399 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.750 -4.586 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.072 -3.672 3.136 1.00 0.00 H new ATOM 609 N ILE A 42 7.981 0.224 1.254 1.00 0.00 N ATOM 610 CA ILE A 42 8.295 1.646 1.183 1.00 0.00 C ATOM 611 C ILE A 42 9.555 1.971 1.977 1.00 0.00 C ATOM 612 O ILE A 42 9.809 1.380 3.027 1.00 0.00 O ATOM 613 CB ILE A 42 7.132 2.506 1.712 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.901 2.345 0.818 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.548 3.967 1.791 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.594 2.580 1.541 1.00 0.00 C ATOM 0 H ILE A 42 7.744 -0.110 2.188 1.00 0.00 H new ATOM 0 HA ILE A 42 8.461 1.881 0.132 1.00 0.00 H new ATOM 0 HB ILE A 42 6.875 2.166 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.975 3.041 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.898 1.340 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.716 4.562 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.399 4.067 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.828 4.320 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.765 2.449 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.498 1.867 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.576 3.594 1.940 1.00 0.00 H new ATOM 628 N ARG A 43 10.341 2.915 1.470 1.00 0.00 N ATOM 629 CA ARG A 43 11.575 3.319 2.132 1.00 0.00 C ATOM 630 C ARG A 43 11.908 4.775 1.819 1.00 0.00 C ATOM 631 O ARG A 43 11.198 5.436 1.061 1.00 0.00 O ATOM 632 CB ARG A 43 12.731 2.416 1.698 1.00 0.00 C ATOM 633 CG ARG A 43 13.138 2.603 0.246 1.00 0.00 C ATOM 634 CD ARG A 43 14.487 1.962 -0.042 1.00 0.00 C ATOM 635 NE ARG A 43 15.489 2.324 0.957 1.00 0.00 N ATOM 636 CZ ARG A 43 16.566 1.592 1.216 1.00 0.00 C ATOM 637 NH1 ARG A 43 16.780 0.463 0.554 1.00 0.00 N ATOM 638 NH2 ARG A 43 17.433 1.988 2.140 1.00 0.00 N ATOM 0 H ARG A 43 10.145 3.414 0.603 1.00 0.00 H new ATOM 0 HA ARG A 43 11.430 3.220 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.593 2.611 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.447 1.376 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.380 2.166 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.183 3.667 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.375 0.878 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.831 2.270 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 43 15.354 3.186 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.116 0.155 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.608 -0.097 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.272 2.855 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.260 1.425 2.338 1.00 0.00 H new ATOM 652 N VAL A 44 12.992 5.269 2.409 1.00 0.00 N ATOM 653 CA VAL A 44 13.420 6.646 2.194 1.00 0.00 C ATOM 654 C VAL A 44 12.328 7.630 2.597 1.00 0.00 C ATOM 655 O VAL A 44 12.166 8.682 1.978 1.00 0.00 O ATOM 656 CB VAL A 44 13.798 6.892 0.721 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.577 8.191 0.580 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.598 5.719 0.174 1.00 0.00 C ATOM 0 H VAL A 44 13.590 4.736 3.040 1.00 0.00 H new ATOM 0 HA VAL A 44 14.298 6.806 2.819 1.00 0.00 H new ATOM 0 HB VAL A 44 12.881 6.981 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.836 8.348 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.965 9.022 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.489 8.135 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.857 5.909 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.510 5.597 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.001 4.809 0.239 1.00 0.00 H new ATOM 668 N ILE A 45 11.581 7.282 3.640 1.00 0.00 N ATOM 669 CA ILE A 45 10.505 8.136 4.128 1.00 0.00 C ATOM 670 C ILE A 45 11.058 9.332 4.897 1.00 0.00 C ATOM 671 O ILE A 45 11.266 9.261 6.107 1.00 0.00 O ATOM 672 CB ILE A 45 9.538 7.358 5.038 1.00 0.00 C ATOM 673 CG1 ILE A 45 8.938 6.169 4.284 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.438 8.276 5.551 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.198 5.198 5.177 1.00 0.00 C ATOM 0 H ILE A 45 11.701 6.415 4.163 1.00 0.00 H new ATOM 0 HA ILE A 45 9.961 8.490 3.252 1.00 0.00 H new ATOM 0 HB ILE A 45 10.096 6.978 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.255 6.541 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.736 5.638 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.762 7.711 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.882 9.093 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.881 8.683 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.800 4.381 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.882 4.797 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.378 5.715 5.676 1.00 0.00 H new ATOM 687 N GLU A 46 11.292 10.429 4.184 1.00 0.00 N ATOM 688 CA GLU A 46 11.820 11.641 4.801 1.00 0.00 C ATOM 689 C GLU A 46 10.951 12.075 5.978 1.00 0.00 C ATOM 690 O GLU A 46 9.735 11.889 5.966 1.00 0.00 O ATOM 691 CB GLU A 46 11.903 12.769 3.770 1.00 0.00 C ATOM 692 CG GLU A 46 12.882 13.868 4.149 1.00 0.00 C ATOM 693 CD GLU A 46 12.563 15.190 3.478 1.00 0.00 C ATOM 694 OE1 GLU A 46 11.438 15.696 3.667 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.441 15.719 2.763 1.00 0.00 O ATOM 0 H GLU A 46 11.125 10.504 3.181 1.00 0.00 H new ATOM 0 HA GLU A 46 12.821 11.423 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.195 12.349 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.912 13.205 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.871 14.002 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.891 13.560 3.876 1.00 0.00 H new ATOM 702 N GLU A 47 11.585 12.655 6.992 1.00 0.00 N ATOM 703 CA GLU A 47 10.871 13.114 8.177 1.00 0.00 C ATOM 704 C GLU A 47 10.032 14.350 7.862 1.00 0.00 C ATOM 705 O GLU A 47 10.124 14.915 6.773 1.00 0.00 O ATOM 706 CB GLU A 47 11.856 13.428 9.305 1.00 0.00 C ATOM 707 CG GLU A 47 12.125 12.248 10.224 1.00 0.00 C ATOM 708 CD GLU A 47 11.171 12.197 11.401 1.00 0.00 C ATOM 709 OE1 GLU A 47 9.983 12.535 11.219 1.00 0.00 O ATOM 710 OE2 GLU A 47 11.614 11.817 12.506 1.00 0.00 O ATOM 0 H GLU A 47 12.592 12.818 7.016 1.00 0.00 H new ATOM 0 HA GLU A 47 10.204 12.315 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.798 13.762 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.466 14.257 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.043 11.322 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.149 12.306 10.593 1.00 0.00 H new ATOM 717 N GLY A 48 9.212 14.763 8.824 1.00 0.00 N ATOM 718 CA GLY A 48 8.368 15.927 8.630 1.00 0.00 C ATOM 719 C GLY A 48 7.678 15.925 7.280 1.00 0.00 C ATOM 720 O GLY A 48 7.240 16.969 6.798 1.00 0.00 O ATOM 0 H GLY A 48 9.117 14.312 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.616 15.962 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.972 16.830 8.725 1.00 0.00 H new ATOM 724 N SER A 49 7.583 14.749 6.668 1.00 0.00 N ATOM 725 CA SER A 49 6.946 14.616 5.363 1.00 0.00 C ATOM 726 C SER A 49 5.468 14.271 5.513 1.00 0.00 C ATOM 727 O SER A 49 5.034 13.707 6.517 1.00 0.00 O ATOM 728 CB SER A 49 7.651 13.540 4.535 1.00 0.00 C ATOM 729 OG SER A 49 7.068 12.267 4.750 1.00 0.00 O ATOM 0 H SER A 49 7.939 13.875 7.055 1.00 0.00 H new ATOM 0 HA SER A 49 7.028 15.573 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.594 13.795 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.708 13.508 4.799 1.00 0.00 H new ATOM 0 HG SER A 49 7.708 11.688 5.214 1.00 0.00 H new ATOM 735 N PRO A 50 4.673 14.618 4.489 1.00 0.00 N ATOM 736 CA PRO A 50 3.231 14.355 4.481 1.00 0.00 C ATOM 737 C PRO A 50 2.914 12.869 4.352 1.00 0.00 C ATOM 738 O PRO A 50 1.841 12.417 4.750 1.00 0.00 O ATOM 739 CB PRO A 50 2.738 15.116 3.248 1.00 0.00 C ATOM 740 CG PRO A 50 3.926 15.198 2.353 1.00 0.00 C ATOM 741 CD PRO A 50 5.122 15.294 3.260 1.00 0.00 C ATOM 0 HA PRO A 50 2.754 14.668 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.913 14.593 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.374 16.108 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.992 14.319 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.862 16.067 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.995 14.804 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.400 16.331 3.450 1.00 0.00 H new ATOM 749 N ALA A 51 3.854 12.114 3.793 1.00 0.00 N ATOM 750 CA ALA A 51 3.675 10.679 3.613 1.00 0.00 C ATOM 751 C ALA A 51 3.790 9.941 4.943 1.00 0.00 C ATOM 752 O ALA A 51 3.111 8.939 5.167 1.00 0.00 O ATOM 753 CB ALA A 51 4.693 10.140 2.619 1.00 0.00 C ATOM 0 H ALA A 51 4.748 12.473 3.457 1.00 0.00 H new ATOM 0 HA ALA A 51 2.673 10.510 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.547 9.067 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.562 10.638 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.700 10.329 2.991 1.00 0.00 H new ATOM 759 N GLU A 52 4.654 10.442 5.820 1.00 0.00 N ATOM 760 CA GLU A 52 4.858 9.828 7.127 1.00 0.00 C ATOM 761 C GLU A 52 3.735 10.209 8.088 1.00 0.00 C ATOM 762 O GLU A 52 3.310 9.402 8.915 1.00 0.00 O ATOM 763 CB GLU A 52 6.208 10.252 7.709 1.00 0.00 C ATOM 764 CG GLU A 52 6.663 9.393 8.877 1.00 0.00 C ATOM 765 CD GLU A 52 7.898 9.947 9.562 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.781 10.477 8.857 1.00 0.00 O ATOM 767 OE2 GLU A 52 7.980 9.849 10.805 1.00 0.00 O ATOM 0 H GLU A 52 5.224 11.271 5.649 1.00 0.00 H new ATOM 0 HA GLU A 52 4.850 8.746 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.962 10.211 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.144 11.290 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.854 9.315 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.871 8.384 8.522 1.00 0.00 H new ATOM 774 N LYS A 53 3.259 11.444 7.973 1.00 0.00 N ATOM 775 CA LYS A 53 2.186 11.934 8.830 1.00 0.00 C ATOM 776 C LYS A 53 1.058 10.912 8.927 1.00 0.00 C ATOM 777 O LYS A 53 0.297 10.904 9.894 1.00 0.00 O ATOM 778 CB LYS A 53 1.641 13.260 8.292 1.00 0.00 C ATOM 779 CG LYS A 53 2.381 14.478 8.817 1.00 0.00 C ATOM 780 CD LYS A 53 1.763 14.993 10.106 1.00 0.00 C ATOM 781 CE LYS A 53 0.592 15.923 9.831 1.00 0.00 C ATOM 782 NZ LYS A 53 0.333 16.842 10.973 1.00 0.00 N ATOM 0 H LYS A 53 3.600 12.125 7.294 1.00 0.00 H new ATOM 0 HA LYS A 53 2.596 12.094 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.698 13.252 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.587 13.344 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.427 14.223 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.366 15.267 8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.426 14.151 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.519 15.521 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.795 16.507 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.302 15.332 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.473 17.459 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.114 16.285 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.177 17.424 11.148 1.00 0.00 H new ATOM 796 N ALA A 54 0.958 10.050 7.921 1.00 0.00 N ATOM 797 CA ALA A 54 -0.074 9.021 7.896 1.00 0.00 C ATOM 798 C ALA A 54 0.420 7.732 8.544 1.00 0.00 C ATOM 799 O ALA A 54 -0.004 6.638 8.174 1.00 0.00 O ATOM 800 CB ALA A 54 -0.522 8.757 6.466 1.00 0.00 C ATOM 0 H ALA A 54 1.579 10.044 7.112 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.926 9.383 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.293 7.986 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.924 9.674 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.329 8.421 5.874 1.00 0.00 H new ATOM 806 N GLY A 55 1.320 7.869 9.513 1.00 0.00 N ATOM 807 CA GLY A 55 1.857 6.707 10.196 1.00 0.00 C ATOM 808 C GLY A 55 2.602 5.777 9.259 1.00 0.00 C ATOM 809 O GLY A 55 2.721 4.580 9.525 1.00 0.00 O ATOM 0 H GLY A 55 1.687 8.764 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.530 7.034 10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.043 6.161 10.673 1.00 0.00 H new ATOM 813 N LEU A 56 3.105 6.326 8.159 1.00 0.00 N ATOM 814 CA LEU A 56 3.841 5.537 7.178 1.00 0.00 C ATOM 815 C LEU A 56 5.276 5.297 7.638 1.00 0.00 C ATOM 816 O LEU A 56 6.044 6.240 7.830 1.00 0.00 O ATOM 817 CB LEU A 56 3.841 6.244 5.821 1.00 0.00 C ATOM 818 CG LEU A 56 4.028 5.347 4.597 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.708 4.708 4.197 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.611 6.143 3.438 1.00 0.00 C ATOM 0 H LEU A 56 3.017 7.315 7.924 1.00 0.00 H new ATOM 0 HA LEU A 56 3.344 4.572 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.898 6.780 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.634 6.992 5.823 1.00 0.00 H new ATOM 0 HG LEU A 56 4.728 4.553 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.861 4.073 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.331 4.105 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.985 5.487 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.738 5.489 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.935 6.958 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.579 6.552 3.728 1.00 0.00 H new ATOM 832 N LEU A 57 5.631 4.029 7.812 1.00 0.00 N ATOM 833 CA LEU A 57 6.975 3.664 8.247 1.00 0.00 C ATOM 834 C LEU A 57 7.634 2.720 7.247 1.00 0.00 C ATOM 835 O LEU A 57 6.953 2.024 6.493 1.00 0.00 O ATOM 836 CB LEU A 57 6.924 3.007 9.628 1.00 0.00 C ATOM 837 CG LEU A 57 6.996 3.955 10.825 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.615 4.496 11.162 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.602 3.249 12.029 1.00 0.00 C ATOM 0 H LEU A 57 5.007 3.236 7.659 1.00 0.00 H new ATOM 0 HA LEU A 57 7.571 4.575 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.001 2.432 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.748 2.298 9.702 1.00 0.00 H new ATOM 0 HG LEU A 57 7.638 4.795 10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.686 5.169 12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.218 5.039 10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.950 3.668 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.645 3.939 12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.986 2.390 12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.609 2.912 11.784 1.00 0.00 H new ATOM 851 N ASP A 58 8.962 2.699 7.247 1.00 0.00 N ATOM 852 CA ASP A 58 9.714 1.838 6.342 1.00 0.00 C ATOM 853 C ASP A 58 9.430 0.367 6.630 1.00 0.00 C ATOM 854 O ASP A 58 9.568 -0.092 7.763 1.00 0.00 O ATOM 855 CB ASP A 58 11.213 2.115 6.467 1.00 0.00 C ATOM 856 CG ASP A 58 12.029 1.356 5.439 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.533 0.332 4.926 1.00 0.00 O ATOM 858 OD2 ASP A 58 13.166 1.786 5.149 1.00 0.00 O ATOM 0 H ASP A 58 9.540 3.269 7.864 1.00 0.00 H new ATOM 0 HA ASP A 58 9.396 2.058 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.393 3.184 6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.548 1.841 7.467 1.00 0.00 H new ATOM 863 N GLY A 59 9.031 -0.368 5.596 1.00 0.00 N ATOM 864 CA GLY A 59 8.733 -1.778 5.759 1.00 0.00 C ATOM 865 C GLY A 59 7.251 -2.075 5.643 1.00 0.00 C ATOM 866 O GLY A 59 6.793 -3.146 6.041 1.00 0.00 O ATOM 0 H GLY A 59 8.909 -0.011 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.275 -2.350 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.092 -2.112 6.732 1.00 0.00 H new ATOM 870 N ASP A 60 6.500 -1.124 5.099 1.00 0.00 N ATOM 871 CA ASP A 60 5.061 -1.288 4.933 1.00 0.00 C ATOM 872 C ASP A 60 4.728 -1.773 3.525 1.00 0.00 C ATOM 873 O ASP A 60 5.318 -1.316 2.546 1.00 0.00 O ATOM 874 CB ASP A 60 4.339 0.031 5.215 1.00 0.00 C ATOM 875 CG ASP A 60 4.400 0.421 6.679 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.244 -0.139 7.408 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.602 1.288 7.096 1.00 0.00 O ATOM 0 H ASP A 60 6.864 -0.231 4.765 1.00 0.00 H new ATOM 0 HA ASP A 60 4.722 -2.039 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.785 0.822 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.297 -0.055 4.908 1.00 0.00 H new ATOM 882 N ARG A 61 3.781 -2.700 3.432 1.00 0.00 N ATOM 883 CA ARG A 61 3.372 -3.248 2.145 1.00 0.00 C ATOM 884 C ARG A 61 1.979 -2.756 1.762 1.00 0.00 C ATOM 885 O ARG A 61 1.000 -3.026 2.458 1.00 0.00 O ATOM 886 CB ARG A 61 3.390 -4.777 2.188 1.00 0.00 C ATOM 887 CG ARG A 61 4.775 -5.375 2.008 1.00 0.00 C ATOM 888 CD ARG A 61 5.618 -5.217 3.263 1.00 0.00 C ATOM 889 NE ARG A 61 6.658 -6.238 3.357 1.00 0.00 N ATOM 890 CZ ARG A 61 6.425 -7.492 3.727 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.195 -7.878 4.036 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.424 -8.364 3.788 1.00 0.00 N ATOM 0 H ARG A 61 3.282 -3.087 4.233 1.00 0.00 H new ATOM 0 HA ARG A 61 4.080 -2.904 1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.981 -5.110 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.733 -5.162 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.686 -6.432 1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.275 -4.891 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.079 -4.229 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.975 -5.273 4.141 1.00 0.00 H new ATOM 0 HE ARG A 61 7.616 -5.974 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.425 -7.211 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.019 -8.842 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.372 -8.071 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.244 -9.327 4.072 1.00 0.00 H new ATOM 906 N VAL A 62 1.898 -2.031 0.650 1.00 0.00 N ATOM 907 CA VAL A 62 0.625 -1.501 0.174 1.00 0.00 C ATOM 908 C VAL A 62 -0.201 -2.586 -0.507 1.00 0.00 C ATOM 909 O VAL A 62 0.269 -3.253 -1.430 1.00 0.00 O ATOM 910 CB VAL A 62 0.836 -0.337 -0.811 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.971 -0.650 -1.773 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.450 -0.041 -1.569 1.00 0.00 C ATOM 0 H VAL A 62 2.698 -1.797 0.062 1.00 0.00 H new ATOM 0 HA VAL A 62 0.087 -1.134 1.048 1.00 0.00 H new ATOM 0 HB VAL A 62 1.109 0.552 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.105 0.184 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.891 -0.808 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.731 -1.551 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.283 0.785 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.755 -0.926 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.234 0.231 -0.863 1.00 0.00 H new ATOM 922 N LEU A 63 -1.436 -2.758 -0.047 1.00 0.00 N ATOM 923 CA LEU A 63 -2.330 -3.762 -0.612 1.00 0.00 C ATOM 924 C LEU A 63 -3.092 -3.201 -1.808 1.00 0.00 C ATOM 925 O LEU A 63 -3.085 -3.786 -2.892 1.00 0.00 O ATOM 926 CB LEU A 63 -3.315 -4.253 0.450 1.00 0.00 C ATOM 927 CG LEU A 63 -2.696 -4.850 1.715 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.620 -4.651 2.906 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.391 -6.327 1.513 1.00 0.00 C ATOM 0 H LEU A 63 -1.841 -2.215 0.716 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.724 -4.602 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.951 -3.417 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.962 -5.004 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.759 -4.331 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.163 -5.082 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.787 -3.585 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.573 -5.143 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.951 -6.735 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.313 -6.861 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.690 -6.444 0.687 1.00 0.00 H new ATOM 941 N ARG A 64 -3.747 -2.063 -1.605 1.00 0.00 N ATOM 942 CA ARG A 64 -4.514 -1.422 -2.666 1.00 0.00 C ATOM 943 C ARG A 64 -4.133 0.050 -2.799 1.00 0.00 C ATOM 944 O ARG A 64 -4.008 0.761 -1.802 1.00 0.00 O ATOM 945 CB ARG A 64 -6.013 -1.549 -2.390 1.00 0.00 C ATOM 946 CG ARG A 64 -6.516 -2.983 -2.406 1.00 0.00 C ATOM 947 CD ARG A 64 -7.992 -3.060 -2.050 1.00 0.00 C ATOM 948 NE ARG A 64 -8.597 -4.315 -2.489 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.830 -4.612 -3.762 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.511 -3.750 -4.717 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.383 -5.775 -4.083 1.00 0.00 N ATOM 0 H ARG A 64 -3.762 -1.565 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.281 -1.926 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.234 -1.106 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.561 -0.972 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.356 -3.415 -3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.939 -3.580 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.110 -2.959 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.519 -2.224 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.854 -5.001 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.085 -2.855 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.691 -3.981 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.629 -6.442 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.562 -6.002 -5.061 1.00 0.00 H new ATOM 965 N ILE A 65 -3.951 0.499 -4.036 1.00 0.00 N ATOM 966 CA ILE A 65 -3.585 1.885 -4.299 1.00 0.00 C ATOM 967 C ILE A 65 -4.755 2.658 -4.898 1.00 0.00 C ATOM 968 O ILE A 65 -5.283 2.290 -5.946 1.00 0.00 O ATOM 969 CB ILE A 65 -2.380 1.978 -5.253 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.670 3.323 -5.084 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.829 1.788 -6.694 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.605 4.511 -5.142 1.00 0.00 C ATOM 0 H ILE A 65 -4.051 -0.077 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.313 2.327 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.677 1.183 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.145 3.330 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.915 3.427 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.966 1.856 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.294 0.808 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.549 2.563 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.033 5.430 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.111 4.529 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.345 4.431 -4.346 1.00 0.00 H new ATOM 984 N ASN A 66 -5.153 3.734 -4.226 1.00 0.00 N ATOM 985 CA ASN A 66 -6.260 4.560 -4.693 1.00 0.00 C ATOM 986 C ASN A 66 -7.466 3.700 -5.057 1.00 0.00 C ATOM 987 O ASN A 66 -8.302 4.095 -5.867 1.00 0.00 O ATOM 988 CB ASN A 66 -5.828 5.391 -5.904 1.00 0.00 C ATOM 989 CG ASN A 66 -6.701 6.614 -6.106 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.567 6.635 -6.981 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.476 7.642 -5.296 1.00 0.00 N ATOM 0 H ASN A 66 -4.725 4.054 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.546 5.231 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.792 5.705 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.864 4.770 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.032 8.493 -5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.748 7.581 -4.585 1.00 0.00 H new ATOM 998 N GLY A 67 -7.549 2.519 -4.450 1.00 0.00 N ATOM 999 CA GLY A 67 -8.656 1.621 -4.722 1.00 0.00 C ATOM 1000 C GLY A 67 -8.367 0.677 -5.871 1.00 0.00 C ATOM 1001 O GLY A 67 -9.248 0.382 -6.679 1.00 0.00 O ATOM 0 H GLY A 67 -6.869 2.169 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.878 1.041 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.547 2.206 -4.952 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.128 0.201 -5.948 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.725 -0.715 -7.008 1.00 0.00 C ATOM 1007 C VAL A 68 -5.710 -1.732 -6.498 1.00 0.00 C ATOM 1008 O VAL A 68 -4.652 -1.366 -5.985 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.119 0.042 -8.204 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.734 -0.927 -9.311 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.094 1.091 -8.719 1.00 0.00 C ATOM 0 H VAL A 68 -6.386 0.435 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.625 -1.236 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.215 0.551 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.308 -0.373 -10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.998 -1.637 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.620 -1.466 -9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.650 1.617 -9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.016 0.605 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.315 1.803 -7.924 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.038 -3.012 -6.644 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.155 -4.083 -6.198 1.00 0.00 C ATOM 1023 C PHE A 69 -3.826 -4.039 -6.946 1.00 0.00 C ATOM 1024 O PHE A 69 -3.780 -4.209 -8.164 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.825 -5.443 -6.404 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.263 -6.527 -5.528 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.319 -6.419 -4.148 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.680 -7.653 -6.085 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.803 -7.414 -3.340 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.162 -8.652 -5.282 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.224 -8.533 -3.908 1.00 0.00 C ATOM 0 H PHE A 69 -6.909 -3.332 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.958 -3.940 -5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.893 -5.346 -6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.717 -5.738 -7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.771 -5.547 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.629 -7.752 -7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.852 -7.317 -2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.709 -9.525 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.821 -9.313 -3.278 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.745 -3.809 -6.206 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.414 -3.743 -6.798 1.00 0.00 C ATOM 1043 C VAL A 70 -0.468 -4.738 -6.135 1.00 0.00 C ATOM 1044 O VAL A 70 0.701 -4.435 -5.898 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.818 -2.328 -6.681 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.749 -1.303 -7.310 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.539 -1.987 -5.225 1.00 0.00 C ATOM 0 H VAL A 70 -2.765 -3.665 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.523 -3.997 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 70 0.127 -2.304 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.311 -0.309 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.892 -1.540 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.712 -1.324 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.118 -0.984 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.469 -2.028 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.170 -2.705 -4.813 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.982 -5.927 -5.839 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.183 -6.969 -5.204 1.00 0.00 C ATOM 1059 C ASP A 71 0.703 -7.673 -6.227 1.00 0.00 C ATOM 1060 O ASP A 71 1.855 -8.002 -5.945 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.090 -7.986 -4.510 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.313 -8.955 -3.641 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.861 -9.232 -3.963 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.880 -9.439 -2.638 1.00 0.00 O ATOM 0 H ASP A 71 -1.948 -6.193 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 71 0.457 -6.498 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.821 -7.458 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.648 -8.544 -5.262 1.00 0.00 H new ATOM 1069 N LYS A 72 0.156 -7.903 -7.416 1.00 0.00 N ATOM 1070 CA LYS A 72 0.895 -8.569 -8.483 1.00 0.00 C ATOM 1071 C LYS A 72 1.332 -7.568 -9.548 1.00 0.00 C ATOM 1072 O LYS A 72 2.315 -7.790 -10.254 1.00 0.00 O ATOM 1073 CB LYS A 72 0.038 -9.665 -9.119 1.00 0.00 C ATOM 1074 CG LYS A 72 0.688 -10.325 -10.322 1.00 0.00 C ATOM 1075 CD LYS A 72 1.819 -11.251 -9.906 1.00 0.00 C ATOM 1076 CE LYS A 72 2.194 -12.211 -11.025 1.00 0.00 C ATOM 1077 NZ LYS A 72 1.269 -13.376 -11.088 1.00 0.00 N ATOM 0 H LYS A 72 -0.797 -7.638 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 72 1.786 -9.021 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.177 -10.427 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.918 -9.237 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.061 -10.890 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.073 -9.559 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.690 -10.659 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.521 -11.818 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.178 -11.682 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.214 -12.565 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.558 -14.007 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.303 -13.895 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.299 -13.041 -11.258 1.00 0.00 H new ATOM 1091 N GLU A 73 0.596 -6.467 -9.657 1.00 0.00 N ATOM 1092 CA GLU A 73 0.909 -5.433 -10.636 1.00 0.00 C ATOM 1093 C GLU A 73 2.385 -5.051 -10.571 1.00 0.00 C ATOM 1094 O GLU A 73 3.086 -5.402 -9.622 1.00 0.00 O ATOM 1095 CB GLU A 73 0.040 -4.196 -10.400 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.427 -4.410 -10.734 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.690 -4.423 -12.228 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -0.837 -3.911 -12.984 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.746 -4.944 -12.640 1.00 0.00 O ATOM 0 H GLU A 73 -0.221 -6.268 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 73 0.698 -5.832 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.126 -3.896 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.424 -3.372 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.760 -5.354 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.020 -3.621 -10.271 1.00 0.00 H new ATOM 1106 N GLU A 74 2.849 -4.330 -11.587 1.00 0.00 N ATOM 1107 CA GLU A 74 4.242 -3.902 -11.646 1.00 0.00 C ATOM 1108 C GLU A 74 4.425 -2.551 -10.960 1.00 0.00 C ATOM 1109 O GLU A 74 3.464 -1.806 -10.764 1.00 0.00 O ATOM 1110 CB GLU A 74 4.712 -3.816 -13.099 1.00 0.00 C ATOM 1111 CG GLU A 74 6.220 -3.902 -13.258 1.00 0.00 C ATOM 1112 CD GLU A 74 6.667 -3.734 -14.697 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.917 -2.582 -15.109 1.00 0.00 O ATOM 1114 OE2 GLU A 74 6.765 -4.753 -15.412 1.00 0.00 O ATOM 0 H GLU A 74 2.281 -4.030 -12.380 1.00 0.00 H new ATOM 0 HA GLU A 74 4.845 -4.642 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.249 -4.621 -13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.363 -2.878 -13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.690 -3.134 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.566 -4.866 -12.884 1.00 0.00 H new ATOM 1121 N HIS A 75 5.666 -2.242 -10.597 1.00 0.00 N ATOM 1122 CA HIS A 75 5.976 -0.981 -9.933 1.00 0.00 C ATOM 1123 C HIS A 75 5.524 0.205 -10.780 1.00 0.00 C ATOM 1124 O HIS A 75 5.107 1.234 -10.251 1.00 0.00 O ATOM 1125 CB HIS A 75 7.477 -0.882 -9.655 1.00 0.00 C ATOM 1126 CG HIS A 75 7.938 0.508 -9.342 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.495 1.219 -8.247 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.809 1.318 -9.987 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.072 2.407 -8.233 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.875 2.492 -9.278 1.00 0.00 N ATOM 0 H HIS A 75 6.473 -2.847 -10.751 1.00 0.00 H new ATOM 0 HA HIS A 75 5.436 -0.955 -8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.727 -1.536 -8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.024 -1.251 -10.523 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.351 1.085 -10.891 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.914 3.178 -7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.451 3.299 -9.519 1.00 0.00 H new ATOM 1139 N ALA A 76 5.612 0.052 -12.097 1.00 0.00 N ATOM 1140 CA ALA A 76 5.211 1.109 -13.017 1.00 0.00 C ATOM 1141 C ALA A 76 3.698 1.305 -13.003 1.00 0.00 C ATOM 1142 O ALA A 76 3.201 2.389 -13.305 1.00 0.00 O ATOM 1143 CB ALA A 76 5.691 0.794 -14.425 1.00 0.00 C ATOM 0 H ALA A 76 5.957 -0.794 -12.551 1.00 0.00 H new ATOM 0 HA ALA A 76 5.675 2.039 -12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.384 1.592 -15.101 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.778 0.713 -14.429 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.255 -0.149 -14.755 1.00 0.00 H new ATOM 1149 N GLN A 77 2.973 0.248 -12.651 1.00 0.00 N ATOM 1150 CA GLN A 77 1.517 0.304 -12.600 1.00 0.00 C ATOM 1151 C GLN A 77 1.042 0.920 -11.288 1.00 0.00 C ATOM 1152 O GLN A 77 0.008 1.587 -11.241 1.00 0.00 O ATOM 1153 CB GLN A 77 0.925 -1.097 -12.763 1.00 0.00 C ATOM 1154 CG GLN A 77 0.697 -1.496 -14.212 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.672 -1.091 -14.720 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -1.689 -1.357 -14.078 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.706 -0.443 -15.879 1.00 0.00 N ATOM 0 H GLN A 77 3.370 -0.657 -12.397 1.00 0.00 H new ATOM 0 HA GLN A 77 1.174 0.933 -13.421 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.593 -1.821 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.023 -1.146 -12.228 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.463 -1.036 -14.836 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.812 -2.575 -14.310 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.161 -0.243 -16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.599 -0.145 -16.271 1.00 0.00 H new ATOM 1166 N VAL A 78 1.804 0.692 -10.222 1.00 0.00 N ATOM 1167 CA VAL A 78 1.461 1.225 -8.909 1.00 0.00 C ATOM 1168 C VAL A 78 1.836 2.699 -8.800 1.00 0.00 C ATOM 1169 O VAL A 78 1.138 3.482 -8.156 1.00 0.00 O ATOM 1170 CB VAL A 78 2.164 0.442 -7.785 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.457 0.664 -6.457 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.225 -1.039 -8.125 1.00 0.00 C ATOM 0 H VAL A 78 2.663 0.142 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 78 0.382 1.119 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 78 3.185 0.812 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.968 0.103 -5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.471 1.726 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.425 0.323 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.725 -1.577 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.213 -1.426 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.780 -1.177 -9.053 1.00 0.00 H new ATOM 1182 N VAL A 79 2.944 3.070 -9.433 1.00 0.00 N ATOM 1183 CA VAL A 79 3.412 4.451 -9.408 1.00 0.00 C ATOM 1184 C VAL A 79 2.525 5.347 -10.265 1.00 0.00 C ATOM 1185 O VAL A 79 2.198 6.468 -9.875 1.00 0.00 O ATOM 1186 CB VAL A 79 4.866 4.560 -9.905 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.977 4.074 -11.342 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.367 5.990 -9.777 1.00 0.00 C ATOM 0 H VAL A 79 3.534 2.434 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 79 3.365 4.783 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 79 5.493 3.923 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.011 4.159 -11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.661 3.032 -11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.338 4.682 -11.982 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.396 6.048 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.739 6.651 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.326 6.298 -8.732 1.00 0.00 H new ATOM 1198 N GLU A 80 2.140 4.846 -11.434 1.00 0.00 N ATOM 1199 CA GLU A 80 1.291 5.602 -12.347 1.00 0.00 C ATOM 1200 C GLU A 80 -0.028 5.979 -11.677 1.00 0.00 C ATOM 1201 O GLU A 80 -0.489 7.116 -11.783 1.00 0.00 O ATOM 1202 CB GLU A 80 1.017 4.791 -13.615 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.243 3.946 -13.538 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.422 3.052 -14.749 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.553 2.883 -15.511 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.537 2.521 -14.935 1.00 0.00 O ATOM 0 H GLU A 80 2.402 3.920 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 80 1.817 6.518 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.936 5.473 -14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.869 4.140 -13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.209 3.331 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.109 4.601 -13.443 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.630 5.017 -10.987 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.896 5.246 -10.300 1.00 0.00 C ATOM 1215 C LEU A 81 -1.767 6.375 -9.282 1.00 0.00 C ATOM 1216 O LEU A 81 -2.615 7.264 -9.214 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.359 3.966 -9.602 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.815 2.830 -10.518 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.717 1.493 -9.800 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.237 3.074 -11.003 1.00 0.00 C ATOM 0 H LEU A 81 -0.262 4.071 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.638 5.536 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.542 3.599 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.181 4.218 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.156 2.802 -11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.046 0.697 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.684 1.314 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.351 1.509 -8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.545 2.256 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.909 3.129 -10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.277 4.012 -11.556 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.698 6.333 -8.493 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.455 7.354 -7.481 1.00 0.00 C ATOM 1234 C VAL A 82 -0.257 8.725 -8.119 1.00 0.00 C ATOM 1235 O VAL A 82 -0.607 9.750 -7.533 1.00 0.00 O ATOM 1236 CB VAL A 82 0.781 7.015 -6.627 1.00 0.00 C ATOM 1237 CG1 VAL A 82 0.942 8.020 -5.496 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.679 5.599 -6.081 1.00 0.00 C ATOM 0 H VAL A 82 0.013 5.603 -8.535 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.336 7.379 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 82 1.665 7.073 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.821 7.764 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.064 9.020 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.057 7.997 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.561 5.376 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.214 5.511 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.617 4.893 -6.909 1.00 0.00 H new ATOM 1248 N ARG A 83 0.304 8.735 -9.323 1.00 0.00 N ATOM 1249 CA ARG A 83 0.549 9.980 -10.041 1.00 0.00 C ATOM 1250 C ARG A 83 -0.754 10.561 -10.582 1.00 0.00 C ATOM 1251 O ARG A 83 -1.075 11.725 -10.342 1.00 0.00 O ATOM 1252 CB ARG A 83 1.531 9.746 -11.191 1.00 0.00 C ATOM 1253 CG ARG A 83 1.425 10.778 -12.302 1.00 0.00 C ATOM 1254 CD ARG A 83 2.762 10.990 -12.994 1.00 0.00 C ATOM 1255 NE ARG A 83 3.711 11.705 -12.144 1.00 0.00 N ATOM 1256 CZ ARG A 83 5.028 11.659 -12.312 1.00 0.00 C ATOM 1257 NH1 ARG A 83 5.549 10.937 -13.295 1.00 0.00 N ATOM 1258 NH2 ARG A 83 5.826 12.336 -11.498 1.00 0.00 N ATOM 0 H ARG A 83 0.598 7.895 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 83 0.983 10.694 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.547 9.752 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.357 8.755 -11.610 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.684 10.453 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.073 11.724 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.182 10.024 -13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.608 11.550 -13.916 1.00 0.00 H new ATOM 0 HE ARG A 83 3.342 12.271 -11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.938 10.416 -13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.560 10.903 -13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.429 12.893 -10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.837 12.300 -11.628 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.502 9.742 -11.314 1.00 0.00 N ATOM 1273 CA LYS A 84 -2.771 10.173 -11.889 1.00 0.00 C ATOM 1274 C LYS A 84 -3.783 10.496 -10.794 1.00 0.00 C ATOM 1275 O LYS A 84 -4.592 11.413 -10.935 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.331 9.088 -12.811 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.832 7.859 -12.070 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.341 6.798 -13.031 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.708 7.162 -13.590 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.396 5.983 -14.186 1.00 0.00 N ATOM 0 H LYS A 84 -1.251 8.776 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.589 11.077 -12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.149 9.507 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.556 8.786 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.027 7.445 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.631 8.146 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.632 6.677 -13.850 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.401 5.839 -12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.326 7.579 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.596 7.938 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.324 6.273 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.819 5.600 -14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.526 5.252 -13.458 1.00 0.00 H new ATOM 1294 N SER A 85 -3.729 9.739 -9.703 1.00 0.00 N ATOM 1295 CA SER A 85 -4.643 9.944 -8.585 1.00 0.00 C ATOM 1296 C SER A 85 -4.914 11.430 -8.370 1.00 0.00 C ATOM 1297 O SER A 85 -6.058 11.844 -8.190 1.00 0.00 O ATOM 1298 CB SER A 85 -4.065 9.330 -7.308 1.00 0.00 C ATOM 1299 OG SER A 85 -4.334 7.940 -7.244 1.00 0.00 O ATOM 0 H SER A 85 -3.063 8.979 -9.569 1.00 0.00 H new ATOM 0 HA SER A 85 -5.586 9.451 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.988 9.497 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.491 9.827 -6.436 1.00 0.00 H new ATOM 0 HG SER A 85 -3.702 7.458 -7.818 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.851 12.229 -8.392 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.994 13.660 -8.198 1.00 0.00 C ATOM 1307 C GLY A 86 -3.300 14.148 -6.942 1.00 0.00 C ATOM 1308 O GLY A 86 -2.222 13.668 -6.595 1.00 0.00 O ATOM 0 H GLY A 86 -2.894 11.910 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.584 14.183 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.053 13.912 -8.145 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.919 15.106 -6.260 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.352 15.661 -5.036 1.00 0.00 C ATOM 1314 C ASN A 87 -3.593 14.728 -3.853 1.00 0.00 C ATOM 1315 O ASN A 87 -2.693 14.483 -3.050 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.958 17.036 -4.747 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.643 18.047 -5.832 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.517 18.434 -6.608 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.389 18.479 -5.892 1.00 0.00 N ATOM 0 H ASN A 87 -4.813 15.514 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.277 15.768 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.039 16.940 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.581 17.403 -3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.117 19.159 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.697 18.131 -5.228 1.00 0.00 H new ATOM 1326 N SER A 88 -4.813 14.209 -3.754 1.00 0.00 N ATOM 1327 CA SER A 88 -5.173 13.305 -2.668 1.00 0.00 C ATOM 1328 C SER A 88 -5.063 11.850 -3.114 1.00 0.00 C ATOM 1329 O SER A 88 -5.649 11.451 -4.120 1.00 0.00 O ATOM 1330 CB SER A 88 -6.595 13.596 -2.185 1.00 0.00 C ATOM 1331 OG SER A 88 -7.555 13.140 -3.121 1.00 0.00 O ATOM 0 H SER A 88 -5.568 14.399 -4.413 1.00 0.00 H new ATOM 0 HA SER A 88 -4.477 13.469 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.762 13.111 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.717 14.668 -2.027 1.00 0.00 H new ATOM 0 HG SER A 88 -7.139 12.491 -3.726 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.307 11.061 -2.356 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.120 9.650 -2.671 1.00 0.00 C ATOM 1339 C VAL A 89 -4.318 8.780 -1.435 1.00 0.00 C ATOM 1340 O VAL A 89 -3.713 9.021 -0.389 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.718 9.386 -3.252 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.605 7.951 -3.744 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.412 10.368 -4.373 1.00 0.00 C ATOM 0 H VAL A 89 -3.815 11.375 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.870 9.390 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.983 9.533 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.608 7.783 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.778 7.267 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.349 7.773 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.418 10.167 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.151 10.256 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.448 11.386 -3.985 1.00 0.00 H new ATOM 1353 N THR A 90 -5.169 7.767 -1.561 1.00 0.00 N ATOM 1354 CA THR A 90 -5.448 6.861 -0.454 1.00 0.00 C ATOM 1355 C THR A 90 -4.704 5.541 -0.623 1.00 0.00 C ATOM 1356 O THR A 90 -4.847 4.862 -1.641 1.00 0.00 O ATOM 1357 CB THR A 90 -6.956 6.575 -0.328 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.674 7.801 -0.146 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.234 5.640 0.839 1.00 0.00 C ATOM 0 H THR A 90 -5.677 7.553 -2.419 1.00 0.00 H new ATOM 0 HA THR A 90 -5.103 7.356 0.454 1.00 0.00 H new ATOM 0 HB THR A 90 -7.290 6.092 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.632 7.611 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.306 5.453 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.710 4.697 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.886 6.099 1.764 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.910 5.182 0.380 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.144 3.941 0.343 1.00 0.00 C ATOM 1369 C LEU A 91 -3.510 3.039 1.517 1.00 0.00 C ATOM 1370 O LEU A 91 -3.840 3.519 2.603 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.645 4.244 0.366 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.167 5.344 -0.583 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.217 5.830 -0.183 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.164 4.843 -2.021 1.00 0.00 C ATOM 0 H LEU A 91 -3.780 5.733 1.229 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.389 3.419 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.367 4.523 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.106 3.327 0.128 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.858 6.184 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.540 6.612 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.184 6.228 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.920 4.998 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.821 5.638 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.495 3.986 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.173 4.545 -2.305 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.449 1.731 1.293 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.772 0.761 2.334 1.00 0.00 C ATOM 1388 C LEU A 92 -2.551 -0.080 2.692 1.00 0.00 C ATOM 1389 O LEU A 92 -2.111 -0.920 1.908 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.914 -0.147 1.875 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.329 0.350 2.174 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.363 -0.604 1.596 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.531 0.513 3.674 1.00 0.00 C ATOM 0 H LEU A 92 -3.179 1.318 0.400 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.086 1.309 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.823 -0.296 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.787 -1.123 2.344 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.459 1.324 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.364 -0.234 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.233 -0.671 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.234 -1.592 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.543 0.867 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.382 -0.447 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.813 1.236 4.061 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.010 0.151 3.884 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.841 -0.587 4.348 1.00 0.00 C ATOM 1407 C VAL A 93 -1.190 -1.478 5.536 1.00 0.00 C ATOM 1408 O VAL A 93 -1.976 -1.095 6.403 1.00 0.00 O ATOM 1409 CB VAL A 93 0.300 0.364 4.753 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.806 1.136 3.544 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.162 1.315 5.847 1.00 0.00 C ATOM 0 H VAL A 93 -2.362 0.843 4.546 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.508 -1.208 3.516 1.00 0.00 H new ATOM 0 HB VAL A 93 1.124 -0.232 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.612 1.803 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.178 0.437 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.009 1.722 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.657 1.980 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.003 1.906 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.472 0.742 6.721 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.601 -2.668 5.568 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.849 -3.615 6.650 1.00 0.00 C ATOM 1423 C LEU A 94 0.413 -3.842 7.475 1.00 0.00 C ATOM 1424 O LEU A 94 1.521 -3.540 7.030 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.349 -4.946 6.085 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.810 -5.980 7.113 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.054 -5.493 7.839 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.072 -7.320 6.440 1.00 0.00 C ATOM 0 H LEU A 94 0.051 -3.000 4.858 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.615 -3.193 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.178 -4.742 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.551 -5.387 5.488 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.016 -6.114 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.367 -6.242 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.832 -4.558 8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.855 -5.330 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.399 -8.044 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.848 -7.202 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.156 -7.675 5.967 1.00 0.00 H new ATOM 1440 N ASP A 95 0.239 -4.376 8.679 1.00 0.00 N ATOM 1441 CA ASP A 95 1.365 -4.647 9.566 1.00 0.00 C ATOM 1442 C ASP A 95 2.201 -5.811 9.043 1.00 0.00 C ATOM 1443 O ASP A 95 1.680 -6.727 8.409 1.00 0.00 O ATOM 1444 CB ASP A 95 0.866 -4.955 10.978 1.00 0.00 C ATOM 1445 CG ASP A 95 1.885 -4.598 12.043 1.00 0.00 C ATOM 1446 OD1 ASP A 95 2.199 -3.397 12.183 1.00 0.00 O ATOM 1447 OD2 ASP A 95 2.369 -5.518 12.735 1.00 0.00 O ATOM 0 H ASP A 95 -0.671 -4.630 9.063 1.00 0.00 H new ATOM 0 HA ASP A 95 1.994 -3.757 9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.056 -4.404 11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.624 -6.015 11.052 1.00 0.00 H new ATOM 1452 N GLY A 96 3.502 -5.767 9.312 1.00 0.00 N ATOM 1453 CA GLY A 96 4.390 -6.822 8.860 1.00 0.00 C ATOM 1454 C GLY A 96 4.013 -8.177 9.425 1.00 0.00 C ATOM 1455 O GLY A 96 3.984 -9.173 8.701 1.00 0.00 O ATOM 0 H GLY A 96 3.957 -5.019 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.371 -6.867 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.413 -6.582 9.151 1.00 0.00 H new ATOM 1459 N ASP A 97 3.726 -8.217 10.722 1.00 0.00 N ATOM 1460 CA ASP A 97 3.350 -9.461 11.384 1.00 0.00 C ATOM 1461 C ASP A 97 2.089 -10.050 10.758 1.00 0.00 C ATOM 1462 O ASP A 97 2.114 -11.151 10.208 1.00 0.00 O ATOM 1463 CB ASP A 97 3.129 -9.222 12.878 1.00 0.00 C ATOM 1464 CG ASP A 97 4.429 -9.194 13.658 1.00 0.00 C ATOM 1465 OD1 ASP A 97 5.349 -8.452 13.253 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.526 -9.913 14.674 1.00 0.00 O ATOM 0 H ASP A 97 3.747 -7.402 11.335 1.00 0.00 H new ATOM 0 HA ASP A 97 4.165 -10.173 11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.604 -8.277 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.486 -10.006 13.277 1.00 0.00 H new ATOM 1471 N SER A 98 0.989 -9.310 10.849 1.00 0.00 N ATOM 1472 CA SER A 98 -0.283 -9.761 10.296 1.00 0.00 C ATOM 1473 C SER A 98 -0.092 -10.346 8.900 1.00 0.00 C ATOM 1474 O SER A 98 -0.686 -11.367 8.556 1.00 0.00 O ATOM 1475 CB SER A 98 -1.280 -8.602 10.244 1.00 0.00 C ATOM 1476 OG SER A 98 -0.707 -7.463 9.625 1.00 0.00 O ATOM 0 H SER A 98 0.953 -8.396 11.300 1.00 0.00 H new ATOM 0 HA SER A 98 -0.678 -10.541 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.170 -8.909 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.600 -8.348 11.255 1.00 0.00 H new ATOM 0 HG SER A 98 0.242 -7.631 9.445 1.00 0.00 H new ATOM 1482 N TYR A 99 0.741 -9.690 8.100 1.00 0.00 N ATOM 1483 CA TYR A 99 1.010 -10.142 6.740 1.00 0.00 C ATOM 1484 C TYR A 99 1.545 -11.571 6.737 1.00 0.00 C ATOM 1485 O TYR A 99 0.860 -12.500 6.311 1.00 0.00 O ATOM 1486 CB TYR A 99 2.011 -9.208 6.058 1.00 0.00 C ATOM 1487 CG TYR A 99 1.993 -9.299 4.549 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.636 -10.338 3.888 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.332 -8.345 3.784 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.622 -10.424 2.509 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.312 -8.424 2.405 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.959 -9.465 1.772 1.00 0.00 C ATOM 1493 OH TYR A 99 1.941 -9.548 0.399 1.00 0.00 O ATOM 0 H TYR A 99 1.242 -8.843 8.370 1.00 0.00 H new ATOM 0 HA TYR A 99 0.072 -10.124 6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.797 -8.181 6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.014 -9.441 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.156 -11.091 4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.825 -7.528 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.128 -11.238 2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.793 -7.675 1.826 1.00 0.00 H new ATOM 0 HH TYR A 99 1.431 -8.796 0.032 1.00 0.00 H new ATOM 1503 N GLU A 100 2.775 -11.736 7.215 1.00 0.00 N ATOM 1504 CA GLU A 100 3.403 -13.051 7.267 1.00 0.00 C ATOM 1505 C GLU A 100 2.390 -14.122 7.662 1.00 0.00 C ATOM 1506 O GLU A 100 2.466 -15.263 7.205 1.00 0.00 O ATOM 1507 CB GLU A 100 4.568 -13.045 8.258 1.00 0.00 C ATOM 1508 CG GLU A 100 5.642 -12.022 7.929 1.00 0.00 C ATOM 1509 CD GLU A 100 6.865 -12.153 8.815 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.707 -12.552 9.988 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.980 -11.858 8.337 1.00 0.00 O ATOM 0 H GLU A 100 3.355 -10.976 7.571 1.00 0.00 H new ATOM 0 HA GLU A 100 3.783 -13.284 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.182 -12.846 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.019 -14.037 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.940 -12.136 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.228 -11.019 8.034 1.00 0.00 H new ATOM 1518 N LYS A 101 1.443 -13.747 8.515 1.00 0.00 N ATOM 1519 CA LYS A 101 0.414 -14.673 8.973 1.00 0.00 C ATOM 1520 C LYS A 101 -0.656 -14.869 7.904 1.00 0.00 C ATOM 1521 O LYS A 101 -1.107 -15.988 7.662 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.227 -14.158 10.263 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.527 -14.859 10.618 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.207 -14.203 11.809 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.311 -14.214 13.038 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.458 -12.995 13.113 1.00 0.00 N ATOM 0 H LYS A 101 1.367 -12.807 8.904 1.00 0.00 H new ATOM 0 HA LYS A 101 0.887 -15.635 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.479 -14.282 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.416 -13.089 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.198 -14.840 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.327 -15.906 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.470 -13.175 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.138 -14.725 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.926 -14.283 13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.677 -15.100 13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.542 -13.274 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.607 -12.414 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.713 -12.444 13.958 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.057 -13.774 7.266 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.071 -13.827 6.221 1.00 0.00 C ATOM 1542 C ALA A 102 -1.587 -14.643 5.027 1.00 0.00 C ATOM 1543 O ALA A 102 -2.313 -15.491 4.507 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.450 -12.420 5.782 1.00 0.00 C ATOM 0 H ALA A 102 -0.695 -12.839 7.455 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.954 -14.319 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.208 -12.474 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.846 -11.867 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.568 -11.909 5.396 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.357 -14.382 4.597 1.00 0.00 N ATOM 1551 CA VAL A 103 0.224 -15.094 3.465 1.00 0.00 C ATOM 1552 C VAL A 103 0.450 -16.564 3.797 1.00 0.00 C ATOM 1553 O VAL A 103 0.476 -17.416 2.909 1.00 0.00 O ATOM 1554 CB VAL A 103 1.562 -14.464 3.033 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.469 -14.261 4.237 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.242 -15.329 1.982 1.00 0.00 C ATOM 0 H VAL A 103 0.257 -13.683 5.015 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.488 -15.016 2.643 1.00 0.00 H new ATOM 0 HB VAL A 103 1.360 -13.488 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.409 -13.815 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.981 -13.599 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.667 -15.223 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.186 -14.870 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.434 -16.320 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.594 -15.418 1.110 1.00 0.00 H new ATOM 1566 N LYS A 104 0.614 -16.856 5.083 1.00 0.00 N ATOM 1567 CA LYS A 104 0.836 -18.224 5.535 1.00 0.00 C ATOM 1568 C LYS A 104 -0.464 -19.021 5.517 1.00 0.00 C ATOM 1569 O LYS A 104 -0.456 -20.235 5.318 1.00 0.00 O ATOM 1570 CB LYS A 104 1.429 -18.227 6.946 1.00 0.00 C ATOM 1571 CG LYS A 104 2.921 -17.943 6.980 1.00 0.00 C ATOM 1572 CD LYS A 104 3.734 -19.221 6.858 1.00 0.00 C ATOM 1573 CE LYS A 104 3.801 -19.967 8.182 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.955 -20.907 8.231 1.00 0.00 N ATOM 0 H LYS A 104 0.597 -16.163 5.831 1.00 0.00 H new ATOM 0 HA LYS A 104 1.540 -18.696 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.912 -17.481 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.242 -19.196 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.182 -17.265 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.175 -17.436 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.290 -19.865 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.743 -18.981 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.882 -19.250 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.875 -20.521 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.966 -21.396 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.865 -21.607 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.841 -20.376 8.111 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.580 -18.330 5.726 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.888 -18.974 5.732 1.00 0.00 C ATOM 1590 C ASN A 105 -3.616 -18.741 4.412 1.00 0.00 C ATOM 1591 O ASN A 105 -4.814 -18.999 4.299 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.733 -18.448 6.894 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.038 -18.605 8.232 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.528 -19.678 8.557 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.015 -17.534 9.017 1.00 0.00 N ATOM 0 H ASN A 105 -1.604 -17.324 5.893 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.737 -20.046 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.960 -17.395 6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.684 -18.979 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.562 -17.580 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.450 -16.665 8.707 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.884 -18.251 3.417 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.460 -17.982 2.105 1.00 0.00 C ATOM 1604 C GLN A 106 -4.792 -17.250 2.235 1.00 0.00 C ATOM 1605 O GLN A 106 -5.706 -17.456 1.437 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.656 -19.289 1.334 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.369 -19.853 0.755 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.442 -18.773 0.232 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -1.862 -17.881 -0.505 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -0.172 -18.848 0.613 1.00 0.00 N ATOM 0 H GLN A 106 -1.891 -18.032 3.494 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.768 -17.344 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.101 -20.030 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.366 -19.120 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.852 -20.430 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.610 -20.542 -0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.133 -19.605 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.498 -18.149 0.294 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.894 -16.394 3.246 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.114 -15.630 3.481 1.00 0.00 C ATOM 1621 C VAL A 107 -6.319 -14.577 2.398 1.00 0.00 C ATOM 1622 O VAL A 107 -5.466 -13.715 2.185 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.087 -14.937 4.856 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.346 -14.108 5.062 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.928 -15.965 5.967 1.00 0.00 C ATOM 0 H VAL A 107 -4.147 -16.212 3.916 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.941 -16.339 3.457 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.230 -14.265 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.309 -13.626 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.412 -13.347 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.221 -14.756 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.911 -15.458 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.764 -16.663 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.995 -16.511 5.827 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.457 -14.652 1.716 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.776 -13.704 0.655 1.00 0.00 C ATOM 1637 C ASP A 108 -7.411 -12.282 1.069 1.00 0.00 C ATOM 1638 O ASP A 108 -7.878 -11.783 2.094 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.263 -13.781 0.303 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.661 -15.140 -0.236 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.847 -15.755 -0.956 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.787 -15.590 0.063 1.00 0.00 O ATOM 0 H ASP A 108 -8.174 -15.359 1.879 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.189 -13.969 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.855 -13.558 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.498 -13.017 -0.438 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.574 -11.634 0.266 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.145 -10.269 0.550 1.00 0.00 C ATOM 1649 C LEU A 109 -6.901 -9.269 -0.320 1.00 0.00 C ATOM 1650 O LEU A 109 -6.917 -8.071 -0.037 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.640 -10.128 0.317 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.737 -10.926 1.259 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.347 -11.081 0.663 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.663 -10.255 2.623 1.00 0.00 C ATOM 0 H LEU A 109 -6.179 -12.032 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.367 -10.054 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.421 -10.431 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.377 -9.074 0.401 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.167 -11.919 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.719 -11.651 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.416 -11.607 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.908 -10.096 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.016 -10.837 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.258 -9.249 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.662 -10.198 3.055 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.529 -9.769 -1.378 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.290 -8.922 -2.288 1.00 0.00 C ATOM 1668 C LYS A 110 -9.583 -8.446 -1.634 1.00 0.00 C ATOM 1669 O LYS A 110 -10.298 -7.610 -2.187 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.609 -9.681 -3.578 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.394 -9.924 -4.457 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.792 -10.458 -5.823 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.718 -10.179 -6.864 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.944 -10.956 -8.115 1.00 0.00 N ATOM 0 H LYS A 110 -7.526 -10.758 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.681 -8.050 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.060 -10.640 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.351 -9.120 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.838 -8.994 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.726 -10.634 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.968 -11.532 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.731 -10.000 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.704 -9.114 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.740 -10.429 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.192 -10.739 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.932 -11.973 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.866 -10.699 -8.521 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.876 -8.981 -0.453 1.00 0.00 N ATOM 1689 CA GLU A 111 -11.083 -8.609 0.276 1.00 0.00 C ATOM 1690 C GLU A 111 -10.743 -7.733 1.479 1.00 0.00 C ATOM 1691 O GLU A 111 -11.519 -7.640 2.432 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.833 -9.860 0.737 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.018 -10.755 1.655 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.700 -12.080 1.934 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -12.136 -12.738 0.966 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -11.798 -12.459 3.120 1.00 0.00 O ATOM 0 H GLU A 111 -9.294 -9.673 0.019 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.723 -8.039 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.744 -9.557 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.138 -10.433 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.043 -10.940 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.840 -10.237 2.597 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.580 -7.094 1.429 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.136 -6.226 2.514 1.00 0.00 C ATOM 1705 C LEU A 112 -9.542 -4.779 2.254 1.00 0.00 C ATOM 1706 O LEU A 112 -9.074 -4.154 1.302 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.619 -6.321 2.681 1.00 0.00 C ATOM 1708 CG LEU A 112 -7.063 -7.711 2.993 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.548 -7.666 3.110 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.683 -8.259 4.270 1.00 0.00 C ATOM 0 H LEU A 112 -8.927 -7.160 0.648 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.617 -6.559 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.150 -5.961 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.319 -5.644 3.481 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.323 -8.378 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.170 -8.664 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.121 -7.317 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.265 -6.984 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.276 -9.249 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.454 -7.592 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.764 -8.330 4.148 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.412 -4.251 3.107 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.878 -2.876 2.972 1.00 0.00 C ATOM 1724 C ASP A 113 -11.375 -2.337 4.310 1.00 0.00 C ATOM 1725 O ASP A 113 -12.442 -2.722 4.787 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.994 -2.793 1.929 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.980 -3.939 2.044 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.856 -3.880 2.932 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -12.876 -4.894 1.246 1.00 0.00 O ATOM 0 H ASP A 113 -10.809 -4.755 3.900 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.038 -2.264 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.525 -1.848 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.556 -2.793 0.931 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.593 -1.445 4.910 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.953 -0.855 6.194 1.00 0.00 C ATOM 1736 C GLN A 114 -12.443 -0.535 6.247 1.00 0.00 C ATOM 1737 O GLN A 114 -12.863 0.409 6.918 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.137 0.415 6.442 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.882 0.696 7.914 1.00 0.00 C ATOM 1740 CD GLN A 114 -9.758 2.177 8.213 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -9.826 3.012 7.310 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -9.576 2.511 9.485 1.00 0.00 N ATOM 0 H GLN A 114 -9.707 -1.115 4.528 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.728 -1.581 6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.181 0.329 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.660 1.265 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.695 0.277 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.968 0.189 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.526 1.786 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -9.486 3.493 9.747 1.00 0.00 H new TER 1751 GLN A 114