USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 115 LYS NZ :NH3+ 170:sc= 0.0416 (180deg=-0.142) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 97 GLN : amide:sc= -2.89 K(o=-8.7,f=-7.2) USER MOD Set 2.2: A 109 ASN : amide:sc= -5.84! C(o=-8.7!,f=-14!) USER MOD Set 3.1: A 69 CYS SG : rot 7:sc= -6.76! USER MOD Set 3.2: A 74 GLN : amide:sc= -1.93 K(o=-8.7,f=-7.3) USER MOD Single : A 34 MET CE :methyl -166:sc= -0.0662 (180deg=-0.369) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0676 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 40 GLN : amide:sc= -5.82! K(o=-5.8!,f=-0.74) USER MOD Single : A 45 ASN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= -1.55 K(o=-1.5,f=-8.8!) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 0.436 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0202 (180deg=-0.216) USER MOD Single : A 60 GLN : amide:sc=-0.000649 K(o=-0.00065,f=-0.76) USER MOD Single : A 61 CYS SG : rot 56:sc= 0.711 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-9.2!) USER MOD Single : A 71 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.2) USER MOD Single : A 80 SER OG : rot -77:sc= 1.17 USER MOD Single : A 84 GLN : amide:sc= -7.96! C(o=-8!,f=-10!) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0227) USER MOD Single : A 88 THR OG1 : rot 81:sc= -0.944 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.18) USER MOD Single : A 95 SER OG : rot 131:sc= 1.24 USER MOD Single : A 100 SER OG : rot 47:sc= 0.442 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.52) USER MOD Single : A 104 MET CE :methyl -124:sc= -1.2 (180deg=-1.8) USER MOD Single : A 107 LYS NZ :NH3+ -119:sc= 1.21 (180deg=0.179) USER MOD Single : A 119 THR OG1 : rot 180:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 2.609 11.808 -5.982 1.00 0.00 N ATOM 2 CA MET A 34 1.482 11.449 -6.877 1.00 0.00 C ATOM 3 C MET A 34 0.703 10.271 -6.302 1.00 0.00 C ATOM 4 O MET A 34 -0.294 10.444 -5.606 1.00 0.00 O ATOM 5 CB MET A 34 1.999 11.101 -8.279 1.00 0.00 C ATOM 6 CG MET A 34 0.900 10.725 -9.262 1.00 0.00 C ATOM 7 SD MET A 34 1.553 10.022 -10.789 1.00 0.00 S ATOM 8 CE MET A 34 2.582 11.367 -11.372 1.00 0.00 C ATOM 0 HA MET A 34 0.817 12.309 -6.953 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.552 11.953 -8.674 1.00 0.00 H new ATOM 0 HB3 MET A 34 2.703 10.273 -8.201 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.227 10.007 -8.793 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.308 11.610 -9.497 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.854 11.192 -12.413 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.033 12.305 -11.293 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.486 11.423 -10.765 1.00 0.00 H new ATOM 20 N ALA A 35 1.197 9.074 -6.582 1.00 0.00 N ATOM 21 CA ALA A 35 0.598 7.843 -6.102 1.00 0.00 C ATOM 22 C ALA A 35 1.689 6.794 -6.005 1.00 0.00 C ATOM 23 O ALA A 35 1.712 5.818 -6.751 1.00 0.00 O ATOM 24 CB ALA A 35 -0.527 7.388 -7.022 1.00 0.00 C ATOM 0 H ALA A 35 2.030 8.931 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 35 0.154 8.003 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.959 6.463 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.297 8.158 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.131 7.217 -8.023 1.00 0.00 H new ATOM 30 N GLU A 36 2.610 7.046 -5.097 1.00 0.00 N ATOM 31 CA GLU A 36 3.820 6.253 -4.962 1.00 0.00 C ATOM 32 C GLU A 36 3.494 4.826 -4.531 1.00 0.00 C ATOM 33 O GLU A 36 3.237 4.560 -3.364 1.00 0.00 O ATOM 34 CB GLU A 36 4.754 6.949 -3.966 1.00 0.00 C ATOM 35 CG GLU A 36 5.496 8.152 -4.553 1.00 0.00 C ATOM 36 CD GLU A 36 4.581 9.164 -5.232 1.00 0.00 C ATOM 37 OE1 GLU A 36 3.935 9.961 -4.527 1.00 0.00 O ATOM 38 OE2 GLU A 36 4.505 9.167 -6.481 1.00 0.00 O ATOM 0 H GLU A 36 2.542 7.812 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 36 4.322 6.179 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.172 7.278 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.484 6.227 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.048 8.651 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.231 7.797 -5.276 1.00 0.00 H new ATOM 45 N CYS A 37 3.495 3.914 -5.491 1.00 0.00 N ATOM 46 CA CYS A 37 3.076 2.544 -5.247 1.00 0.00 C ATOM 47 C CYS A 37 4.244 1.652 -4.839 1.00 0.00 C ATOM 48 O CYS A 37 5.386 1.860 -5.259 1.00 0.00 O ATOM 49 CB CYS A 37 2.392 1.981 -6.496 1.00 0.00 C ATOM 50 SG CYS A 37 3.377 2.117 -8.008 1.00 0.00 S ATOM 0 H CYS A 37 3.783 4.100 -6.451 1.00 0.00 H new ATOM 0 HA CYS A 37 2.371 2.555 -4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.154 0.931 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.446 2.502 -6.644 1.00 0.00 H new ATOM 0 HG CYS A 37 2.713 1.612 -9.005 1.00 0.00 H new ATOM 56 N VAL A 38 3.946 0.678 -3.994 1.00 0.00 N ATOM 57 CA VAL A 38 4.900 -0.350 -3.616 1.00 0.00 C ATOM 58 C VAL A 38 4.194 -1.708 -3.602 1.00 0.00 C ATOM 59 O VAL A 38 3.037 -1.809 -3.189 1.00 0.00 O ATOM 60 CB VAL A 38 5.536 -0.065 -2.229 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.471 0.036 -1.147 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.567 -1.130 -1.883 1.00 0.00 C ATOM 0 H VAL A 38 3.033 0.579 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 38 5.707 -0.355 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 38 6.045 0.897 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.946 0.236 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.784 0.847 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.920 -0.902 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.001 -0.912 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.085 -2.107 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.354 -1.134 -2.638 1.00 0.00 H new ATOM 72 N SER A 39 4.868 -2.743 -4.075 1.00 0.00 N ATOM 73 CA SER A 39 4.285 -4.072 -4.098 1.00 0.00 C ATOM 74 C SER A 39 4.875 -4.935 -2.991 1.00 0.00 C ATOM 75 O SER A 39 6.071 -5.237 -2.987 1.00 0.00 O ATOM 76 CB SER A 39 4.507 -4.709 -5.470 1.00 0.00 C ATOM 77 OG SER A 39 5.797 -4.395 -5.967 1.00 0.00 O ATOM 0 H SER A 39 5.816 -2.688 -4.447 1.00 0.00 H new ATOM 0 HA SER A 39 3.212 -3.994 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.394 -5.791 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.747 -4.356 -6.167 1.00 0.00 H new ATOM 0 HG SER A 39 5.920 -4.813 -6.845 1.00 0.00 H new ATOM 83 N GLN A 40 4.033 -5.321 -2.047 1.00 0.00 N ATOM 84 CA GLN A 40 4.468 -6.123 -0.915 1.00 0.00 C ATOM 85 C GLN A 40 3.290 -6.951 -0.411 1.00 0.00 C ATOM 86 O GLN A 40 2.142 -6.594 -0.650 1.00 0.00 O ATOM 87 CB GLN A 40 5.020 -5.206 0.180 1.00 0.00 C ATOM 88 CG GLN A 40 6.245 -5.760 0.892 1.00 0.00 C ATOM 89 CD GLN A 40 5.895 -6.616 2.087 1.00 0.00 C ATOM 90 OE1 GLN A 40 6.599 -7.569 2.412 1.00 0.00 O ATOM 91 NE2 GLN A 40 4.814 -6.265 2.763 1.00 0.00 N ATOM 0 H GLN A 40 3.039 -5.091 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 40 5.265 -6.804 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.274 -4.242 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.237 -5.023 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.832 -6.350 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.875 -4.932 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.258 -5.466 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.536 -6.793 3.590 1.00 0.00 H new ATOM 100 N ALA A 41 3.571 -8.058 0.252 1.00 0.00 N ATOM 101 CA ALA A 41 2.523 -8.983 0.671 1.00 0.00 C ATOM 102 C ALA A 41 2.485 -9.132 2.189 1.00 0.00 C ATOM 103 O ALA A 41 3.500 -8.930 2.861 1.00 0.00 O ATOM 104 CB ALA A 41 2.758 -10.323 0.006 1.00 0.00 C ATOM 0 H ALA A 41 4.515 -8.342 0.514 1.00 0.00 H new ATOM 0 HA ALA A 41 1.555 -8.585 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.980 -11.023 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.731 -10.202 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.732 -10.711 0.303 1.00 0.00 H new ATOM 110 N ILE A 42 1.317 -9.504 2.725 1.00 0.00 N ATOM 111 CA ILE A 42 1.123 -9.592 4.178 1.00 0.00 C ATOM 112 C ILE A 42 0.042 -10.615 4.514 1.00 0.00 C ATOM 113 O ILE A 42 -0.652 -11.122 3.629 1.00 0.00 O ATOM 114 CB ILE A 42 0.710 -8.244 4.845 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.819 -8.096 4.875 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.345 -7.050 4.145 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.299 -6.829 5.540 1.00 0.00 C ATOM 0 H ILE A 42 0.493 -9.749 2.176 1.00 0.00 H new ATOM 0 HA ILE A 42 2.096 -9.885 4.573 1.00 0.00 H new ATOM 0 HB ILE A 42 1.080 -8.263 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.197 -8.124 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.247 -8.952 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.033 -6.130 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.431 -7.136 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.027 -7.028 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.388 -6.798 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.953 -6.807 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.903 -5.965 5.006 1.00 0.00 H new ATOM 129 N ASP A 43 -0.094 -10.892 5.802 1.00 0.00 N ATOM 130 CA ASP A 43 -1.136 -11.765 6.324 1.00 0.00 C ATOM 131 C ASP A 43 -2.506 -11.106 6.230 1.00 0.00 C ATOM 132 O ASP A 43 -2.648 -9.942 6.593 1.00 0.00 O ATOM 133 CB ASP A 43 -0.820 -12.050 7.784 1.00 0.00 C ATOM 134 CG ASP A 43 0.291 -13.062 7.943 1.00 0.00 C ATOM 135 OD1 ASP A 43 1.471 -12.654 7.972 1.00 0.00 O ATOM 136 OD2 ASP A 43 -0.002 -14.272 8.037 1.00 0.00 O ATOM 0 H ASP A 43 0.522 -10.514 6.522 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.162 -12.683 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.537 -11.122 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.717 -12.417 8.283 1.00 0.00 H new ATOM 141 N ILE A 44 -3.528 -11.832 5.771 1.00 0.00 N ATOM 142 CA ILE A 44 -4.853 -11.232 5.632 1.00 0.00 C ATOM 143 C ILE A 44 -5.753 -11.569 6.802 1.00 0.00 C ATOM 144 O ILE A 44 -6.777 -10.923 6.998 1.00 0.00 O ATOM 145 CB ILE A 44 -5.571 -11.669 4.349 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.156 -13.067 4.461 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.618 -11.612 3.182 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.224 -13.297 3.423 1.00 0.00 C ATOM 0 H ILE A 44 -3.466 -12.812 5.496 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.671 -10.158 5.595 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.399 -10.978 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.364 -13.806 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.576 -13.209 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.135 -11.924 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.253 -10.592 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.776 -12.279 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.623 -14.306 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.027 -12.573 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.796 -13.179 2.428 1.00 0.00 H new ATOM 160 N ASN A 45 -5.407 -12.607 7.544 1.00 0.00 N ATOM 161 CA ASN A 45 -6.155 -12.947 8.744 1.00 0.00 C ATOM 162 C ASN A 45 -5.575 -12.141 9.898 1.00 0.00 C ATOM 163 O ASN A 45 -6.184 -11.999 10.960 1.00 0.00 O ATOM 164 CB ASN A 45 -6.041 -14.435 9.082 1.00 0.00 C ATOM 165 CG ASN A 45 -6.205 -15.360 7.896 1.00 0.00 C ATOM 166 OD1 ASN A 45 -7.294 -15.841 7.611 1.00 0.00 O ATOM 167 ND2 ASN A 45 -5.114 -15.614 7.201 1.00 0.00 N ATOM 0 H ASN A 45 -4.621 -13.224 7.340 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.208 -12.720 8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.068 -14.618 9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.795 -14.684 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.158 -16.233 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.226 -15.192 7.473 1.00 0.00 H new ATOM 174 N GLU A 46 -4.378 -11.617 9.655 1.00 0.00 N ATOM 175 CA GLU A 46 -3.646 -10.829 10.621 1.00 0.00 C ATOM 176 C GLU A 46 -3.687 -9.353 10.215 1.00 0.00 C ATOM 177 O GLU A 46 -4.141 -9.031 9.118 1.00 0.00 O ATOM 178 CB GLU A 46 -2.203 -11.347 10.735 1.00 0.00 C ATOM 179 CG GLU A 46 -2.006 -12.421 11.799 1.00 0.00 C ATOM 180 CD GLU A 46 -2.826 -13.674 11.558 1.00 0.00 C ATOM 181 OE1 GLU A 46 -2.504 -14.426 10.614 1.00 0.00 O ATOM 182 OE2 GLU A 46 -3.786 -13.920 12.314 1.00 0.00 O ATOM 0 H GLU A 46 -3.889 -11.733 8.768 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.109 -10.923 11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.896 -11.748 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.544 -10.507 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.951 -12.690 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.268 -12.008 12.773 1.00 0.00 H new ATOM 189 N PRO A 47 -3.208 -8.450 11.079 1.00 0.00 N ATOM 190 CA PRO A 47 -3.351 -6.989 10.912 1.00 0.00 C ATOM 191 C PRO A 47 -2.893 -6.471 9.549 1.00 0.00 C ATOM 192 O PRO A 47 -1.836 -6.850 9.061 1.00 0.00 O ATOM 193 CB PRO A 47 -2.433 -6.426 12.004 1.00 0.00 C ATOM 194 CG PRO A 47 -1.565 -7.569 12.397 1.00 0.00 C ATOM 195 CD PRO A 47 -2.441 -8.765 12.283 1.00 0.00 C ATOM 0 HA PRO A 47 -4.397 -6.692 10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.841 -5.590 11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.008 -6.056 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.697 -7.650 11.743 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.188 -7.449 13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.867 -9.685 12.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.081 -8.890 13.156 1.00 0.00 H new ATOM 203 N ILE A 48 -3.688 -5.593 8.947 1.00 0.00 N ATOM 204 CA ILE A 48 -3.305 -4.963 7.687 1.00 0.00 C ATOM 205 C ILE A 48 -2.420 -3.756 7.954 1.00 0.00 C ATOM 206 O ILE A 48 -1.760 -3.238 7.058 1.00 0.00 O ATOM 207 CB ILE A 48 -4.534 -4.522 6.855 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.072 -3.165 7.309 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.627 -5.556 6.947 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.744 -2.060 6.344 1.00 0.00 C ATOM 0 H ILE A 48 -4.597 -5.302 9.308 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.759 -5.709 7.109 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.207 -4.426 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.154 -3.229 7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.657 -2.923 8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.485 -5.232 6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.261 -6.508 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.927 -5.676 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.150 -1.119 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.662 -1.974 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.182 -2.284 5.371 1.00 0.00 H new ATOM 222 N GLY A 49 -2.407 -3.313 9.202 1.00 0.00 N ATOM 223 CA GLY A 49 -1.627 -2.151 9.554 1.00 0.00 C ATOM 224 C GLY A 49 -0.160 -2.457 9.666 1.00 0.00 C ATOM 225 O GLY A 49 0.636 -1.573 9.979 1.00 0.00 O ATOM 0 H GLY A 49 -2.922 -3.738 9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.777 -1.375 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.985 -1.750 10.502 1.00 0.00 H new ATOM 229 N ASN A 50 0.218 -3.699 9.390 1.00 0.00 N ATOM 230 CA ASN A 50 1.610 -4.084 9.460 1.00 0.00 C ATOM 231 C ASN A 50 2.370 -3.523 8.261 1.00 0.00 C ATOM 232 O ASN A 50 3.586 -3.667 8.163 1.00 0.00 O ATOM 233 CB ASN A 50 1.766 -5.616 9.554 1.00 0.00 C ATOM 234 CG ASN A 50 1.250 -6.377 8.342 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.308 -5.898 7.214 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.739 -7.578 8.572 1.00 0.00 N ATOM 0 H ASN A 50 -0.419 -4.447 9.118 1.00 0.00 H new ATOM 0 HA ASN A 50 2.038 -3.661 10.369 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.820 -5.853 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.239 -5.969 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.378 -8.135 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.707 -7.945 9.523 1.00 0.00 H new ATOM 243 N LEU A 51 1.641 -2.862 7.361 1.00 0.00 N ATOM 244 CA LEU A 51 2.239 -2.220 6.195 1.00 0.00 C ATOM 245 C LEU A 51 3.214 -1.125 6.614 1.00 0.00 C ATOM 246 O LEU A 51 4.154 -0.807 5.894 1.00 0.00 O ATOM 247 CB LEU A 51 1.158 -1.639 5.272 1.00 0.00 C ATOM 248 CG LEU A 51 0.642 -2.588 4.182 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.188 -3.901 4.779 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.497 -1.949 3.413 1.00 0.00 C ATOM 0 H LEU A 51 0.628 -2.758 7.420 1.00 0.00 H new ATOM 0 HA LEU A 51 2.790 -2.983 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.313 -1.323 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.556 -0.745 4.792 1.00 0.00 H new ATOM 0 HG LEU A 51 1.465 -2.785 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.173 -4.556 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.025 -4.377 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.616 -3.718 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.849 -2.638 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.314 -1.720 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.148 -1.029 2.943 1.00 0.00 H new ATOM 262 N LYS A 52 3.011 -0.580 7.807 1.00 0.00 N ATOM 263 CA LYS A 52 3.905 0.443 8.331 1.00 0.00 C ATOM 264 C LYS A 52 5.236 -0.190 8.721 1.00 0.00 C ATOM 265 O LYS A 52 6.276 0.462 8.735 1.00 0.00 O ATOM 266 CB LYS A 52 3.288 1.150 9.542 1.00 0.00 C ATOM 267 CG LYS A 52 2.170 2.124 9.197 1.00 0.00 C ATOM 268 CD LYS A 52 1.689 2.862 10.436 1.00 0.00 C ATOM 269 CE LYS A 52 0.722 3.978 10.084 1.00 0.00 C ATOM 270 NZ LYS A 52 0.179 4.650 11.295 1.00 0.00 N ATOM 0 H LYS A 52 2.239 -0.828 8.426 1.00 0.00 H new ATOM 0 HA LYS A 52 4.068 1.188 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.899 0.397 10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.073 1.689 10.072 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.523 2.841 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.338 1.583 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.203 2.159 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.545 3.277 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.229 4.713 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.101 3.572 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.860 4.612 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.528 4.166 12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.489 5.643 11.310 1.00 0.00 H new ATOM 284 N LYS A 53 5.187 -1.468 9.046 1.00 0.00 N ATOM 285 CA LYS A 53 6.376 -2.215 9.425 1.00 0.00 C ATOM 286 C LYS A 53 7.030 -2.862 8.208 1.00 0.00 C ATOM 287 O LYS A 53 8.247 -2.818 8.044 1.00 0.00 O ATOM 288 CB LYS A 53 6.002 -3.283 10.450 1.00 0.00 C ATOM 289 CG LYS A 53 5.370 -2.705 11.702 1.00 0.00 C ATOM 290 CD LYS A 53 4.797 -3.787 12.602 1.00 0.00 C ATOM 291 CE LYS A 53 5.883 -4.667 13.201 1.00 0.00 C ATOM 292 NZ LYS A 53 6.802 -3.904 14.087 1.00 0.00 N ATOM 0 H LYS A 53 4.328 -2.017 9.056 1.00 0.00 H new ATOM 0 HA LYS A 53 7.095 -1.523 9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.310 -3.991 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.895 -3.843 10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.116 -2.132 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.578 -2.010 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.223 -3.324 13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.105 -4.405 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.421 -5.474 13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.457 -5.130 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.382 -4.567 14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.422 -3.302 13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.246 -3.308 14.733 1.00 0.00 H new ATOM 306 N LEU A 54 6.208 -3.452 7.349 1.00 0.00 N ATOM 307 CA LEU A 54 6.708 -4.240 6.229 1.00 0.00 C ATOM 308 C LEU A 54 7.152 -3.367 5.054 1.00 0.00 C ATOM 309 O LEU A 54 8.033 -3.754 4.286 1.00 0.00 O ATOM 310 CB LEU A 54 5.650 -5.247 5.759 1.00 0.00 C ATOM 311 CG LEU A 54 5.595 -6.576 6.528 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.199 -6.369 7.978 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.628 -7.534 5.858 1.00 0.00 C ATOM 0 H LEU A 54 5.191 -3.400 7.407 1.00 0.00 H new ATOM 0 HA LEU A 54 7.585 -4.777 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.671 -4.772 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.829 -5.467 4.706 1.00 0.00 H new ATOM 0 HG LEU A 54 6.597 -7.006 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.171 -7.332 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.927 -5.721 8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.213 -5.906 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.600 -8.471 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.632 -7.092 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.957 -7.728 4.837 1.00 0.00 H new ATOM 325 N LEU A 55 6.551 -2.195 4.902 1.00 0.00 N ATOM 326 CA LEU A 55 6.910 -1.306 3.797 1.00 0.00 C ATOM 327 C LEU A 55 7.990 -0.315 4.208 1.00 0.00 C ATOM 328 O LEU A 55 8.475 0.460 3.383 1.00 0.00 O ATOM 329 CB LEU A 55 5.678 -0.577 3.252 1.00 0.00 C ATOM 330 CG LEU A 55 4.782 -1.426 2.343 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.620 -2.125 1.289 1.00 0.00 C ATOM 332 CD2 LEU A 55 3.987 -2.446 3.142 1.00 0.00 C ATOM 0 H LEU A 55 5.822 -1.838 5.519 1.00 0.00 H new ATOM 0 HA LEU A 55 7.316 -1.926 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.084 -0.218 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.008 0.301 2.697 1.00 0.00 H new ATOM 0 HG LEU A 55 4.073 -0.758 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.973 -2.725 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.139 -1.381 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.351 -2.772 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.363 -3.031 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.672 -3.110 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.355 -1.930 3.865 1.00 0.00 H new ATOM 344 N GLU A 56 8.371 -0.360 5.482 1.00 0.00 N ATOM 345 CA GLU A 56 9.488 0.440 5.994 1.00 0.00 C ATOM 346 C GLU A 56 10.748 0.273 5.121 1.00 0.00 C ATOM 347 O GLU A 56 11.299 1.263 4.630 1.00 0.00 O ATOM 348 CB GLU A 56 9.775 0.052 7.452 1.00 0.00 C ATOM 349 CG GLU A 56 10.986 0.740 8.064 1.00 0.00 C ATOM 350 CD GLU A 56 10.780 2.223 8.292 1.00 0.00 C ATOM 351 OE1 GLU A 56 9.970 2.585 9.170 1.00 0.00 O ATOM 352 OE2 GLU A 56 11.464 3.030 7.633 1.00 0.00 O ATOM 0 H GLU A 56 7.921 -0.945 6.186 1.00 0.00 H new ATOM 0 HA GLU A 56 9.207 1.492 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.898 0.285 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.921 -1.027 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.225 0.263 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.846 0.596 7.410 1.00 0.00 H new ATOM 359 N PRO A 57 11.216 -0.978 4.893 1.00 0.00 N ATOM 360 CA PRO A 57 12.389 -1.247 4.046 1.00 0.00 C ATOM 361 C PRO A 57 12.157 -0.867 2.586 1.00 0.00 C ATOM 362 O PRO A 57 13.078 -0.446 1.885 1.00 0.00 O ATOM 363 CB PRO A 57 12.567 -2.766 4.157 1.00 0.00 C ATOM 364 CG PRO A 57 11.221 -3.271 4.535 1.00 0.00 C ATOM 365 CD PRO A 57 10.661 -2.230 5.446 1.00 0.00 C ATOM 0 HA PRO A 57 13.254 -0.667 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.902 -3.197 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.313 -3.024 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.590 -3.408 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.288 -4.238 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.571 -2.228 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.970 -2.388 6.479 1.00 0.00 H new ATOM 373 N ARG A 58 10.913 -1.000 2.149 1.00 0.00 N ATOM 374 CA ARG A 58 10.574 -0.865 0.741 1.00 0.00 C ATOM 375 C ARG A 58 10.468 0.589 0.303 1.00 0.00 C ATOM 376 O ARG A 58 10.977 0.963 -0.751 1.00 0.00 O ATOM 377 CB ARG A 58 9.251 -1.566 0.460 1.00 0.00 C ATOM 378 CG ARG A 58 9.332 -3.086 0.499 1.00 0.00 C ATOM 379 CD ARG A 58 10.493 -3.613 -0.333 1.00 0.00 C ATOM 380 NE ARG A 58 10.459 -3.128 -1.715 1.00 0.00 N ATOM 381 CZ ARG A 58 11.258 -3.585 -2.678 1.00 0.00 C ATOM 382 NH1 ARG A 58 12.094 -4.585 -2.430 1.00 0.00 N ATOM 383 NH2 ARG A 58 11.209 -3.050 -3.892 1.00 0.00 N ATOM 0 H ARG A 58 10.117 -1.203 2.754 1.00 0.00 H new ATOM 0 HA ARG A 58 11.382 -1.326 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.514 -1.233 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.890 -1.257 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.445 -3.417 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.398 -3.509 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.433 -3.314 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.470 -4.703 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 58 9.786 -2.400 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.125 -5.005 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.705 -4.934 -3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.559 -2.288 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.821 -3.400 -4.629 1.00 0.00 H new ATOM 397 N LEU A 59 9.811 1.404 1.109 1.00 0.00 N ATOM 398 CA LEU A 59 9.579 2.795 0.746 1.00 0.00 C ATOM 399 C LEU A 59 10.718 3.680 1.221 1.00 0.00 C ATOM 400 O LEU A 59 10.905 4.789 0.719 1.00 0.00 O ATOM 401 CB LEU A 59 8.256 3.293 1.337 1.00 0.00 C ATOM 402 CG LEU A 59 7.001 2.612 0.789 1.00 0.00 C ATOM 403 CD1 LEU A 59 5.769 3.088 1.543 1.00 0.00 C ATOM 404 CD2 LEU A 59 6.856 2.891 -0.699 1.00 0.00 C ATOM 0 H LEU A 59 9.430 1.131 2.015 1.00 0.00 H new ATOM 0 HA LEU A 59 9.526 2.849 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.284 3.153 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.177 4.365 1.157 1.00 0.00 H new ATOM 0 HG LEU A 59 7.098 1.536 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.884 2.595 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.873 2.844 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.666 4.167 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.959 2.400 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.777 3.966 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.728 2.507 -1.228 1.00 0.00 H new ATOM 416 N GLN A 60 11.492 3.155 2.174 1.00 0.00 N ATOM 417 CA GLN A 60 12.535 3.921 2.855 1.00 0.00 C ATOM 418 C GLN A 60 11.922 5.150 3.513 1.00 0.00 C ATOM 419 O GLN A 60 12.570 6.177 3.704 1.00 0.00 O ATOM 420 CB GLN A 60 13.639 4.318 1.878 1.00 0.00 C ATOM 421 CG GLN A 60 14.242 3.131 1.145 1.00 0.00 C ATOM 422 CD GLN A 60 15.425 3.519 0.279 1.00 0.00 C ATOM 423 OE1 GLN A 60 16.169 4.442 0.601 1.00 0.00 O ATOM 424 NE2 GLN A 60 15.590 2.830 -0.836 1.00 0.00 N ATOM 0 H GLN A 60 11.413 2.190 2.494 1.00 0.00 H new ATOM 0 HA GLN A 60 12.985 3.298 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.235 5.021 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.427 4.840 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.559 2.383 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.477 2.667 0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.949 2.071 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.358 3.057 -1.467 1.00 0.00 H new ATOM 433 N CYS A 61 10.657 5.005 3.859 1.00 0.00 N ATOM 434 CA CYS A 61 9.887 6.076 4.463 1.00 0.00 C ATOM 435 C CYS A 61 9.491 5.704 5.876 1.00 0.00 C ATOM 436 O CYS A 61 9.205 4.546 6.154 1.00 0.00 O ATOM 437 CB CYS A 61 8.637 6.365 3.630 1.00 0.00 C ATOM 438 SG CYS A 61 8.983 7.024 1.985 1.00 0.00 S ATOM 0 H CYS A 61 10.133 4.139 3.729 1.00 0.00 H new ATOM 0 HA CYS A 61 10.505 6.973 4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.061 5.445 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.010 7.075 4.170 1.00 0.00 H new ATOM 0 HG CYS A 61 9.768 6.207 1.347 1.00 0.00 H new ATOM 444 N SER A 62 9.492 6.681 6.766 1.00 0.00 N ATOM 445 CA SER A 62 9.018 6.462 8.116 1.00 0.00 C ATOM 446 C SER A 62 7.504 6.362 8.106 1.00 0.00 C ATOM 447 O SER A 62 6.813 7.362 7.918 1.00 0.00 O ATOM 448 CB SER A 62 9.473 7.602 9.029 1.00 0.00 C ATOM 449 OG SER A 62 10.884 7.751 8.990 1.00 0.00 O ATOM 0 H SER A 62 9.815 7.630 6.577 1.00 0.00 H new ATOM 0 HA SER A 62 9.436 5.531 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.997 8.532 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.153 7.404 10.052 1.00 0.00 H new ATOM 0 HG SER A 62 11.152 8.486 9.580 1.00 0.00 H new ATOM 455 N LEU A 63 7.002 5.153 8.301 1.00 0.00 N ATOM 456 CA LEU A 63 5.570 4.913 8.231 1.00 0.00 C ATOM 457 C LEU A 63 4.925 5.356 9.539 1.00 0.00 C ATOM 458 O LEU A 63 4.973 4.645 10.543 1.00 0.00 O ATOM 459 CB LEU A 63 5.237 3.444 7.936 1.00 0.00 C ATOM 460 CG LEU A 63 5.674 2.882 6.572 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.426 3.857 5.432 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.122 2.466 6.611 1.00 0.00 C ATOM 0 H LEU A 63 7.562 4.326 8.508 1.00 0.00 H new ATOM 0 HA LEU A 63 5.169 5.495 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.692 2.832 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.158 3.319 8.022 1.00 0.00 H new ATOM 0 HG LEU A 63 5.057 2.005 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.752 3.410 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.362 4.086 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.986 4.775 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.413 2.071 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.742 3.329 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.259 1.696 7.371 1.00 0.00 H new ATOM 474 N ASP A 64 4.329 6.540 9.516 1.00 0.00 N ATOM 475 CA ASP A 64 3.830 7.171 10.730 1.00 0.00 C ATOM 476 C ASP A 64 2.509 7.895 10.471 1.00 0.00 C ATOM 477 O ASP A 64 1.442 7.375 10.797 1.00 0.00 O ATOM 478 CB ASP A 64 4.880 8.146 11.279 1.00 0.00 C ATOM 479 CG ASP A 64 4.435 8.852 12.544 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.541 8.250 13.633 1.00 0.00 O ATOM 481 OD2 ASP A 64 4.003 10.022 12.454 1.00 0.00 O ATOM 0 H ASP A 64 4.179 7.085 8.667 1.00 0.00 H new ATOM 0 HA ASP A 64 3.643 6.394 11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.802 7.601 11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.109 8.890 10.516 1.00 0.00 H new ATOM 486 N ALA A 65 2.582 9.087 9.876 1.00 0.00 N ATOM 487 CA ALA A 65 1.390 9.898 9.625 1.00 0.00 C ATOM 488 C ALA A 65 0.443 9.239 8.629 1.00 0.00 C ATOM 489 O ALA A 65 -0.772 9.420 8.708 1.00 0.00 O ATOM 490 CB ALA A 65 1.785 11.280 9.127 1.00 0.00 C ATOM 0 H ALA A 65 3.454 9.512 9.559 1.00 0.00 H new ATOM 0 HA ALA A 65 0.860 9.989 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.888 11.871 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.400 11.776 9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.351 11.185 8.200 1.00 0.00 H new ATOM 496 N HIS A 66 0.994 8.473 7.700 1.00 0.00 N ATOM 497 CA HIS A 66 0.181 7.812 6.694 1.00 0.00 C ATOM 498 C HIS A 66 -0.513 6.571 7.226 1.00 0.00 C ATOM 499 O HIS A 66 0.115 5.587 7.616 1.00 0.00 O ATOM 500 CB HIS A 66 0.940 7.528 5.380 1.00 0.00 C ATOM 501 CG HIS A 66 2.427 7.319 5.466 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.102 7.209 6.656 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.322 7.284 4.449 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.379 7.123 6.333 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.562 7.164 5.010 1.00 0.00 N ATOM 0 H HIS A 66 1.995 8.295 7.623 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.600 8.530 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.502 6.640 4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.756 8.359 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.097 7.340 3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.180 7.031 7.052 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.453 7.115 4.516 1.00 0.00 H new ATOM 513 N GLU A 67 -1.835 6.662 7.241 1.00 0.00 N ATOM 514 CA GLU A 67 -2.704 5.592 7.709 1.00 0.00 C ATOM 515 C GLU A 67 -2.957 4.603 6.579 1.00 0.00 C ATOM 516 O GLU A 67 -2.865 4.959 5.407 1.00 0.00 O ATOM 517 CB GLU A 67 -4.026 6.187 8.210 1.00 0.00 C ATOM 518 CG GLU A 67 -4.764 7.021 7.168 1.00 0.00 C ATOM 519 CD GLU A 67 -5.905 7.823 7.760 1.00 0.00 C ATOM 520 OE1 GLU A 67 -5.630 8.769 8.532 1.00 0.00 O ATOM 521 OE2 GLU A 67 -7.076 7.518 7.460 1.00 0.00 O ATOM 0 H GLU A 67 -2.340 7.490 6.925 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.223 5.063 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.676 5.376 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.825 6.809 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.060 7.700 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.153 6.363 6.391 1.00 0.00 H new ATOM 528 N ILE A 68 -3.276 3.365 6.923 1.00 0.00 N ATOM 529 CA ILE A 68 -3.438 2.326 5.914 1.00 0.00 C ATOM 530 C ILE A 68 -4.832 2.393 5.301 1.00 0.00 C ATOM 531 O ILE A 68 -5.802 2.737 5.981 1.00 0.00 O ATOM 532 CB ILE A 68 -3.204 0.910 6.474 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.390 0.934 7.777 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.490 0.072 5.426 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.937 1.321 7.598 1.00 0.00 C ATOM 0 H ILE A 68 -3.427 3.055 7.883 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.680 2.515 5.154 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.174 0.471 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.857 1.633 8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.437 -0.052 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.321 -0.932 5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.104 0.014 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.532 0.532 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.436 1.313 8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.450 0.609 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.877 2.320 7.167 1.00 0.00 H new ATOM 547 N CYS A 69 -4.931 2.051 4.025 1.00 0.00 N ATOM 548 CA CYS A 69 -6.152 2.234 3.267 1.00 0.00 C ATOM 549 C CYS A 69 -6.204 1.241 2.121 1.00 0.00 C ATOM 550 O CYS A 69 -5.232 0.538 1.857 1.00 0.00 O ATOM 551 CB CYS A 69 -6.229 3.661 2.721 1.00 0.00 C ATOM 552 SG CYS A 69 -6.427 4.919 3.999 1.00 0.00 S ATOM 0 H CYS A 69 -4.166 1.640 3.490 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.002 2.064 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.323 3.872 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.065 3.729 2.024 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.314 4.368 5.171 1.00 0.00 H new ATOM 558 N LEU A 70 -7.342 1.163 1.463 1.00 0.00 N ATOM 559 CA LEU A 70 -7.516 0.260 0.352 1.00 0.00 C ATOM 560 C LEU A 70 -8.378 0.904 -0.710 1.00 0.00 C ATOM 561 O LEU A 70 -9.554 1.146 -0.483 1.00 0.00 O ATOM 562 CB LEU A 70 -8.172 -1.016 0.844 1.00 0.00 C ATOM 563 CG LEU A 70 -7.911 -2.233 -0.015 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.921 -3.470 0.847 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.945 -2.358 -1.121 1.00 0.00 C ATOM 0 H LEU A 70 -8.166 1.722 1.684 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.543 0.027 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.823 -1.221 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.248 -0.855 0.905 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.933 -2.122 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.733 -4.347 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.144 -3.390 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.893 -3.569 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.731 -3.242 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.938 -2.450 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.909 -1.472 -1.755 1.00 0.00 H new ATOM 577 N GLN A 71 -7.785 1.186 -1.866 1.00 0.00 N ATOM 578 CA GLN A 71 -8.485 1.884 -2.938 1.00 0.00 C ATOM 579 C GLN A 71 -9.081 3.177 -2.405 1.00 0.00 C ATOM 580 O GLN A 71 -10.182 3.577 -2.783 1.00 0.00 O ATOM 581 CB GLN A 71 -9.558 0.980 -3.545 1.00 0.00 C ATOM 582 CG GLN A 71 -8.970 -0.201 -4.295 1.00 0.00 C ATOM 583 CD GLN A 71 -9.914 -1.377 -4.373 1.00 0.00 C ATOM 584 OE1 GLN A 71 -11.133 -1.217 -4.398 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.349 -2.575 -4.394 1.00 0.00 N ATOM 0 H GLN A 71 -6.819 0.941 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.779 2.136 -3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.210 0.614 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.179 1.564 -4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.704 0.112 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.048 -0.514 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.333 -2.660 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.930 -3.412 -4.432 1.00 0.00 H new ATOM 594 N ASP A 72 -8.330 3.777 -1.477 1.00 0.00 N ATOM 595 CA ASP A 72 -8.660 5.064 -0.858 1.00 0.00 C ATOM 596 C ASP A 72 -9.567 4.881 0.363 1.00 0.00 C ATOM 597 O ASP A 72 -9.667 5.779 1.196 1.00 0.00 O ATOM 598 CB ASP A 72 -9.257 6.062 -1.870 1.00 0.00 C ATOM 599 CG ASP A 72 -9.736 7.347 -1.227 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.891 8.217 -0.949 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.956 7.498 -1.009 1.00 0.00 O ATOM 0 H ASP A 72 -7.460 3.375 -1.129 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.724 5.499 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.506 6.298 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.091 5.589 -2.388 1.00 0.00 H new ATOM 606 N ILE A 73 -10.189 3.706 0.502 1.00 0.00 N ATOM 607 CA ILE A 73 -10.971 3.401 1.699 1.00 0.00 C ATOM 608 C ILE A 73 -10.029 3.204 2.869 1.00 0.00 C ATOM 609 O ILE A 73 -9.193 2.311 2.836 1.00 0.00 O ATOM 610 CB ILE A 73 -11.774 2.091 1.568 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.372 1.928 0.176 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.876 2.041 2.619 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.677 0.480 -0.143 1.00 0.00 C ATOM 0 H ILE A 73 -10.166 2.959 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.659 4.235 1.841 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.081 1.265 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.287 2.516 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.678 2.324 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.435 1.111 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.433 2.089 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.549 2.887 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.102 0.410 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.758 -0.104 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.391 0.090 0.582 1.00 0.00 H new ATOM 625 N GLN A 74 -10.153 4.014 3.894 1.00 0.00 N ATOM 626 CA GLN A 74 -9.297 3.867 5.060 1.00 0.00 C ATOM 627 C GLN A 74 -9.607 2.565 5.796 1.00 0.00 C ATOM 628 O GLN A 74 -10.763 2.165 5.929 1.00 0.00 O ATOM 629 CB GLN A 74 -9.399 5.074 6.001 1.00 0.00 C ATOM 630 CG GLN A 74 -10.676 5.885 5.856 1.00 0.00 C ATOM 631 CD GLN A 74 -10.548 7.026 4.857 1.00 0.00 C ATOM 632 OE1 GLN A 74 -11.218 8.049 4.994 1.00 0.00 O ATOM 633 NE2 GLN A 74 -9.689 6.881 3.853 1.00 0.00 N ATOM 0 H GLN A 74 -10.829 4.776 3.950 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.266 3.824 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.322 4.723 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.546 5.729 5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.485 5.225 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.954 6.291 6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.147 6.021 3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.572 7.630 3.170 1.00 0.00 H new ATOM 642 N LEU A 75 -8.554 1.915 6.265 1.00 0.00 N ATOM 643 CA LEU A 75 -8.650 0.588 6.862 1.00 0.00 C ATOM 644 C LEU A 75 -8.267 0.659 8.333 1.00 0.00 C ATOM 645 O LEU A 75 -7.897 1.724 8.827 1.00 0.00 O ATOM 646 CB LEU A 75 -7.716 -0.379 6.119 1.00 0.00 C ATOM 647 CG LEU A 75 -8.135 -0.732 4.686 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.967 -1.279 3.889 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.242 -1.760 4.697 1.00 0.00 C ATOM 0 H LEU A 75 -7.606 2.291 6.244 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.675 0.226 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.718 0.058 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.643 -1.301 6.695 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.487 0.186 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.297 -1.519 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.175 -0.531 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.588 -2.180 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.527 -1.999 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.894 -2.664 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.105 -1.360 5.230 1.00 0.00 H new ATOM 661 N ASP A 76 -8.338 -0.462 9.037 1.00 0.00 N ATOM 662 CA ASP A 76 -7.953 -0.499 10.428 1.00 0.00 C ATOM 663 C ASP A 76 -6.724 -1.366 10.575 1.00 0.00 C ATOM 664 O ASP A 76 -6.789 -2.578 10.391 1.00 0.00 O ATOM 665 CB ASP A 76 -9.072 -1.055 11.310 1.00 0.00 C ATOM 666 CG ASP A 76 -9.965 0.022 11.885 1.00 0.00 C ATOM 667 OD1 ASP A 76 -10.969 0.371 11.236 1.00 0.00 O ATOM 668 OD2 ASP A 76 -9.681 0.499 13.006 1.00 0.00 O ATOM 0 H ASP A 76 -8.659 -1.354 8.662 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.746 0.521 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.678 -1.747 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.632 -1.628 12.126 1.00 0.00 H new ATOM 673 N PRO A 77 -5.585 -0.739 10.868 1.00 0.00 N ATOM 674 CA PRO A 77 -4.329 -1.429 11.182 1.00 0.00 C ATOM 675 C PRO A 77 -4.519 -2.504 12.249 1.00 0.00 C ATOM 676 O PRO A 77 -3.786 -3.491 12.299 1.00 0.00 O ATOM 677 CB PRO A 77 -3.418 -0.305 11.712 1.00 0.00 C ATOM 678 CG PRO A 77 -4.291 0.902 11.850 1.00 0.00 C ATOM 679 CD PRO A 77 -5.425 0.711 10.888 1.00 0.00 C ATOM 0 HA PRO A 77 -3.921 -1.948 10.314 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.977 -0.579 12.670 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.594 -0.114 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.659 1.001 12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.736 1.812 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.331 1.214 11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.189 1.106 9.900 1.00 0.00 H new ATOM 687 N ASP A 78 -5.534 -2.300 13.074 1.00 0.00 N ATOM 688 CA ASP A 78 -5.862 -3.202 14.167 1.00 0.00 C ATOM 689 C ASP A 78 -6.646 -4.411 13.678 1.00 0.00 C ATOM 690 O ASP A 78 -6.853 -5.376 14.416 1.00 0.00 O ATOM 691 CB ASP A 78 -6.698 -2.449 15.193 1.00 0.00 C ATOM 692 CG ASP A 78 -5.950 -1.284 15.800 1.00 0.00 C ATOM 693 OD1 ASP A 78 -4.904 -1.513 16.443 1.00 0.00 O ATOM 694 OD2 ASP A 78 -6.402 -0.133 15.633 1.00 0.00 O ATOM 0 H ASP A 78 -6.159 -1.497 13.003 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.931 -3.557 14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.610 -2.085 14.719 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.002 -3.134 15.984 1.00 0.00 H new ATOM 699 N ARG A 79 -7.072 -4.363 12.433 1.00 0.00 N ATOM 700 CA ARG A 79 -7.914 -5.398 11.872 1.00 0.00 C ATOM 701 C ARG A 79 -7.268 -5.950 10.606 1.00 0.00 C ATOM 702 O ARG A 79 -6.367 -5.326 10.046 1.00 0.00 O ATOM 703 CB ARG A 79 -9.298 -4.827 11.565 1.00 0.00 C ATOM 704 CG ARG A 79 -10.127 -4.488 12.796 1.00 0.00 C ATOM 705 CD ARG A 79 -11.457 -3.867 12.402 1.00 0.00 C ATOM 706 NE ARG A 79 -12.335 -3.642 13.548 1.00 0.00 N ATOM 707 CZ ARG A 79 -13.015 -2.513 13.751 1.00 0.00 C ATOM 708 NH1 ARG A 79 -12.859 -1.482 12.927 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.850 -2.409 14.777 1.00 0.00 N ATOM 0 H ARG A 79 -6.846 -3.609 11.784 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.026 -6.210 12.591 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.180 -3.926 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.848 -5.547 10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.302 -5.391 13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.574 -3.798 13.433 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.275 -2.918 11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.960 -4.518 11.687 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.434 -4.392 14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.218 -1.553 12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.380 -0.620 13.085 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.974 -3.195 15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.368 -1.543 14.928 1.00 0.00 H new ATOM 723 N SER A 80 -7.706 -7.122 10.174 1.00 0.00 N ATOM 724 CA SER A 80 -7.112 -7.796 9.027 1.00 0.00 C ATOM 725 C SER A 80 -7.922 -7.595 7.744 1.00 0.00 C ATOM 726 O SER A 80 -8.923 -6.897 7.757 1.00 0.00 O ATOM 727 CB SER A 80 -7.036 -9.279 9.351 1.00 0.00 C ATOM 728 OG SER A 80 -8.325 -9.817 9.607 1.00 0.00 O ATOM 0 H SER A 80 -8.478 -7.631 10.604 1.00 0.00 H new ATOM 0 HA SER A 80 -6.125 -7.371 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.575 -9.812 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.397 -9.431 10.220 1.00 0.00 H new ATOM 0 HG SER A 80 -8.617 -9.554 10.505 1.00 0.00 H new ATOM 734 N LEU A 81 -7.459 -8.177 6.633 1.00 0.00 N ATOM 735 CA LEU A 81 -8.272 -8.251 5.409 1.00 0.00 C ATOM 736 C LEU A 81 -9.549 -9.040 5.677 1.00 0.00 C ATOM 737 O LEU A 81 -10.610 -8.723 5.144 1.00 0.00 O ATOM 738 CB LEU A 81 -7.500 -8.884 4.243 1.00 0.00 C ATOM 739 CG LEU A 81 -6.716 -7.920 3.337 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.599 -7.222 4.088 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.153 -8.668 2.141 1.00 0.00 C ATOM 0 H LEU A 81 -6.535 -8.601 6.553 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.525 -7.231 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.800 -9.613 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.208 -9.435 3.624 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.410 -7.154 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.070 -6.550 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.019 -6.648 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.904 -7.965 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.600 -7.976 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.485 -9.456 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.970 -9.109 1.570 1.00 0.00 H new ATOM 753 N PHE A 82 -9.445 -10.058 6.525 1.00 0.00 N ATOM 754 CA PHE A 82 -10.626 -10.761 7.019 1.00 0.00 C ATOM 755 C PHE A 82 -11.536 -9.847 7.833 1.00 0.00 C ATOM 756 O PHE A 82 -12.688 -10.178 8.104 1.00 0.00 O ATOM 757 CB PHE A 82 -10.257 -11.993 7.841 1.00 0.00 C ATOM 758 CG PHE A 82 -10.171 -13.252 7.045 1.00 0.00 C ATOM 759 CD1 PHE A 82 -9.073 -13.544 6.276 1.00 0.00 C ATOM 760 CD2 PHE A 82 -11.218 -14.153 7.088 1.00 0.00 C ATOM 761 CE1 PHE A 82 -9.017 -14.724 5.553 1.00 0.00 C ATOM 762 CE2 PHE A 82 -11.172 -15.330 6.371 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.066 -15.616 5.603 1.00 0.00 C ATOM 0 H PHE A 82 -8.559 -10.414 6.884 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.172 -11.090 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.298 -11.818 8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.997 -12.125 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.247 -12.849 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.085 -13.932 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.150 -14.945 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.999 -16.023 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.021 -16.537 5.041 1.00 0.00 H new ATOM 773 N ASP A 83 -11.003 -8.726 8.255 1.00 0.00 N ATOM 774 CA ASP A 83 -11.807 -7.712 8.910 1.00 0.00 C ATOM 775 C ASP A 83 -12.137 -6.586 7.935 1.00 0.00 C ATOM 776 O ASP A 83 -13.059 -5.800 8.162 1.00 0.00 O ATOM 777 CB ASP A 83 -11.068 -7.141 10.112 1.00 0.00 C ATOM 778 CG ASP A 83 -10.821 -8.148 11.218 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.792 -8.588 11.865 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.640 -8.476 11.466 1.00 0.00 O ATOM 0 H ASP A 83 -10.016 -8.489 8.158 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.733 -8.177 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.111 -6.739 9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.641 -6.306 10.516 1.00 0.00 H new ATOM 785 N GLN A 84 -11.384 -6.522 6.840 1.00 0.00 N ATOM 786 CA GLN A 84 -11.492 -5.426 5.884 1.00 0.00 C ATOM 787 C GLN A 84 -11.336 -5.916 4.451 1.00 0.00 C ATOM 788 O GLN A 84 -10.216 -6.036 3.949 1.00 0.00 O ATOM 789 CB GLN A 84 -10.416 -4.366 6.138 1.00 0.00 C ATOM 790 CG GLN A 84 -10.786 -3.293 7.152 1.00 0.00 C ATOM 791 CD GLN A 84 -10.204 -3.531 8.520 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.800 -3.152 9.524 1.00 0.00 O ATOM 793 NE2 GLN A 84 -9.021 -4.128 8.572 1.00 0.00 N ATOM 0 H GLN A 84 -10.687 -7.224 6.592 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.484 -4.996 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.509 -4.867 6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.177 -3.881 5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.446 -2.325 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.872 -3.240 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.562 -4.426 7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.570 -4.289 9.473 1.00 0.00 H new ATOM 802 N GLY A 85 -12.443 -6.208 3.801 1.00 0.00 N ATOM 803 CA GLY A 85 -12.395 -6.484 2.383 1.00 0.00 C ATOM 804 C GLY A 85 -12.547 -7.948 2.038 1.00 0.00 C ATOM 805 O GLY A 85 -13.665 -8.433 1.858 1.00 0.00 O ATOM 0 H GLY A 85 -13.370 -6.260 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.184 -5.920 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.447 -6.124 1.985 1.00 0.00 H new ATOM 809 N VAL A 86 -11.438 -8.670 1.958 1.00 0.00 N ATOM 810 CA VAL A 86 -11.455 -10.006 1.387 1.00 0.00 C ATOM 811 C VAL A 86 -11.428 -11.087 2.454 1.00 0.00 C ATOM 812 O VAL A 86 -10.708 -10.988 3.446 1.00 0.00 O ATOM 813 CB VAL A 86 -10.269 -10.238 0.422 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.255 -9.193 -0.682 1.00 0.00 C ATOM 815 CG2 VAL A 86 -8.936 -10.256 1.159 1.00 0.00 C ATOM 0 H VAL A 86 -10.523 -8.355 2.279 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.391 -10.074 0.833 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.409 -11.219 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.412 -9.378 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.184 -9.250 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.159 -8.200 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.128 -10.421 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.786 -9.301 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.939 -11.058 1.897 1.00 0.00 H new ATOM 825 N LYS A 87 -12.217 -12.125 2.243 1.00 0.00 N ATOM 826 CA LYS A 87 -12.163 -13.295 3.096 1.00 0.00 C ATOM 827 C LYS A 87 -11.695 -14.474 2.268 1.00 0.00 C ATOM 828 O LYS A 87 -12.477 -15.353 1.919 1.00 0.00 O ATOM 829 CB LYS A 87 -13.541 -13.589 3.694 1.00 0.00 C ATOM 830 CG LYS A 87 -14.257 -12.347 4.191 1.00 0.00 C ATOM 831 CD LYS A 87 -13.548 -11.713 5.375 1.00 0.00 C ATOM 832 CE LYS A 87 -13.838 -10.220 5.438 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.286 -9.933 5.592 1.00 0.00 N ATOM 0 H LYS A 87 -12.902 -12.180 1.489 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.470 -13.115 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.159 -14.079 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.428 -14.290 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.328 -11.621 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.276 -12.607 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.873 -12.191 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.474 -11.877 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.292 -9.781 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.470 -9.742 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.421 -8.920 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.786 -10.190 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.668 -10.488 6.384 1.00 0.00 H new ATOM 847 N THR A 88 -10.413 -14.484 1.951 1.00 0.00 N ATOM 848 CA THR A 88 -9.861 -15.537 1.130 1.00 0.00 C ATOM 849 C THR A 88 -8.960 -16.447 1.960 1.00 0.00 C ATOM 850 O THR A 88 -9.469 -17.275 2.715 1.00 0.00 O ATOM 851 CB THR A 88 -9.144 -14.980 -0.130 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.380 -16.000 -0.778 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.251 -13.787 0.199 1.00 0.00 C ATOM 0 H THR A 88 -9.741 -13.777 2.249 1.00 0.00 H new ATOM 0 HA THR A 88 -10.688 -16.143 0.759 1.00 0.00 H new ATOM 0 HB THR A 88 -9.924 -14.636 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.972 -16.549 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.770 -13.431 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.855 -12.987 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.489 -14.090 0.917 1.00 0.00 H new ATOM 861 N ASP A 89 -7.643 -16.286 1.867 1.00 0.00 N ATOM 862 CA ASP A 89 -6.745 -17.140 2.621 1.00 0.00 C ATOM 863 C ASP A 89 -5.306 -16.654 2.580 1.00 0.00 C ATOM 864 O ASP A 89 -4.789 -16.267 1.530 1.00 0.00 O ATOM 865 CB ASP A 89 -6.817 -18.570 2.072 1.00 0.00 C ATOM 866 CG ASP A 89 -5.891 -19.539 2.778 1.00 0.00 C ATOM 867 OD1 ASP A 89 -4.707 -19.632 2.391 1.00 0.00 O ATOM 868 OD2 ASP A 89 -6.352 -20.238 3.706 1.00 0.00 O ATOM 0 H ASP A 89 -7.185 -15.584 1.286 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.068 -17.112 3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.842 -18.932 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.572 -18.555 1.010 1.00 0.00 H new ATOM 873 N GLY A 90 -4.692 -16.648 3.751 1.00 0.00 N ATOM 874 CA GLY A 90 -3.252 -16.527 3.857 1.00 0.00 C ATOM 875 C GLY A 90 -2.717 -15.149 3.553 1.00 0.00 C ATOM 876 O GLY A 90 -3.109 -14.161 4.174 1.00 0.00 O ATOM 0 H GLY A 90 -5.174 -16.726 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.950 -16.806 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.789 -17.241 3.177 1.00 0.00 H new ATOM 880 N THR A 91 -1.792 -15.105 2.610 1.00 0.00 N ATOM 881 CA THR A 91 -1.092 -13.886 2.257 1.00 0.00 C ATOM 882 C THR A 91 -1.512 -13.389 0.875 1.00 0.00 C ATOM 883 O THR A 91 -1.475 -14.140 -0.096 1.00 0.00 O ATOM 884 CB THR A 91 0.431 -14.134 2.273 1.00 0.00 C ATOM 885 OG1 THR A 91 0.851 -14.552 3.583 1.00 0.00 O ATOM 886 CG2 THR A 91 1.207 -12.894 1.857 1.00 0.00 C ATOM 0 H THR A 91 -1.505 -15.919 2.066 1.00 0.00 H new ATOM 0 HA THR A 91 -1.350 -13.123 2.991 1.00 0.00 H new ATOM 0 HB THR A 91 0.643 -14.923 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.818 -14.708 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.275 -13.108 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.917 -12.605 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.985 -12.078 2.545 1.00 0.00 H new ATOM 894 N VAL A 92 -1.935 -12.136 0.792 1.00 0.00 N ATOM 895 CA VAL A 92 -2.198 -11.516 -0.500 1.00 0.00 C ATOM 896 C VAL A 92 -1.079 -10.554 -0.849 1.00 0.00 C ATOM 897 O VAL A 92 -0.327 -10.119 0.026 1.00 0.00 O ATOM 898 CB VAL A 92 -3.537 -10.763 -0.545 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.675 -11.690 -0.177 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.513 -9.535 0.342 1.00 0.00 C ATOM 0 H VAL A 92 -2.103 -11.532 1.597 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.253 -12.326 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.698 -10.416 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.617 -11.142 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.711 -12.520 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.519 -12.076 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.476 -9.027 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.320 -9.834 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.726 -8.859 0.007 1.00 0.00 H new ATOM 910 N GLN A 93 -0.976 -10.221 -2.120 1.00 0.00 N ATOM 911 CA GLN A 93 0.020 -9.276 -2.579 1.00 0.00 C ATOM 912 C GLN A 93 -0.656 -7.918 -2.745 1.00 0.00 C ATOM 913 O GLN A 93 -1.600 -7.775 -3.520 1.00 0.00 O ATOM 914 CB GLN A 93 0.642 -9.773 -3.892 1.00 0.00 C ATOM 915 CG GLN A 93 2.014 -9.190 -4.214 1.00 0.00 C ATOM 916 CD GLN A 93 1.960 -7.763 -4.721 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.812 -7.523 -5.915 1.00 0.00 O ATOM 918 NE2 GLN A 93 2.108 -6.809 -3.825 1.00 0.00 N ATOM 0 H GLN A 93 -1.574 -10.594 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 93 0.831 -9.179 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.726 -10.859 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.038 -9.538 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.635 -9.226 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.499 -9.815 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.229 -7.048 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.102 -5.831 -4.115 1.00 0.00 H new ATOM 927 N LEU A 94 -0.176 -6.941 -1.992 1.00 0.00 N ATOM 928 CA LEU A 94 -0.795 -5.625 -1.949 1.00 0.00 C ATOM 929 C LEU A 94 -0.044 -4.637 -2.821 1.00 0.00 C ATOM 930 O LEU A 94 1.131 -4.354 -2.578 1.00 0.00 O ATOM 931 CB LEU A 94 -0.843 -5.065 -0.519 1.00 0.00 C ATOM 932 CG LEU A 94 -1.650 -5.863 0.510 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.940 -6.388 -0.082 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.821 -6.991 1.106 1.00 0.00 C ATOM 0 H LEU A 94 0.647 -7.036 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.811 -5.752 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.180 -4.978 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.253 -4.056 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.914 -5.180 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.486 -6.949 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.550 -5.552 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.714 -7.042 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.421 -7.539 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.504 -7.668 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.057 -6.575 1.600 1.00 0.00 H new ATOM 946 N SER A 95 -0.709 -4.122 -3.841 1.00 0.00 N ATOM 947 CA SER A 95 -0.193 -2.960 -4.541 1.00 0.00 C ATOM 948 C SER A 95 -0.661 -1.712 -3.801 1.00 0.00 C ATOM 949 O SER A 95 -1.594 -1.023 -4.218 1.00 0.00 O ATOM 950 CB SER A 95 -0.654 -2.946 -6.001 1.00 0.00 C ATOM 951 OG SER A 95 -0.020 -3.980 -6.744 1.00 0.00 O ATOM 0 H SER A 95 -1.593 -4.484 -4.198 1.00 0.00 H new ATOM 0 HA SER A 95 0.896 -2.991 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.736 -3.071 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.426 -1.979 -6.449 1.00 0.00 H new ATOM 0 HG SER A 95 -0.694 -4.477 -7.254 1.00 0.00 H new ATOM 957 N VAL A 96 -0.021 -1.476 -2.672 1.00 0.00 N ATOM 958 CA VAL A 96 -0.353 -0.366 -1.795 1.00 0.00 C ATOM 959 C VAL A 96 0.474 0.882 -2.136 1.00 0.00 C ATOM 960 O VAL A 96 1.667 0.800 -2.416 1.00 0.00 O ATOM 961 CB VAL A 96 -0.191 -0.789 -0.315 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.135 -1.507 -0.097 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.333 0.399 0.620 1.00 0.00 C ATOM 0 H VAL A 96 0.750 -2.052 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.398 -0.097 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.994 -1.487 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.225 -1.794 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.173 -2.399 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.957 -0.842 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.214 0.067 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.432 1.139 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.320 0.845 0.494 1.00 0.00 H new ATOM 973 N GLN A 97 -0.198 2.026 -2.146 1.00 0.00 N ATOM 974 CA GLN A 97 0.392 3.296 -2.550 1.00 0.00 C ATOM 975 C GLN A 97 0.484 4.261 -1.382 1.00 0.00 C ATOM 976 O GLN A 97 -0.340 4.221 -0.476 1.00 0.00 O ATOM 977 CB GLN A 97 -0.469 3.951 -3.625 1.00 0.00 C ATOM 978 CG GLN A 97 -0.510 3.203 -4.938 1.00 0.00 C ATOM 979 CD GLN A 97 -1.246 3.970 -6.015 1.00 0.00 C ATOM 980 OE1 GLN A 97 -0.961 3.826 -7.201 1.00 0.00 O ATOM 981 NE2 GLN A 97 -2.203 4.791 -5.606 1.00 0.00 N ATOM 0 H GLN A 97 -1.178 2.099 -1.871 1.00 0.00 H new ATOM 0 HA GLN A 97 1.392 3.083 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.486 4.051 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.096 4.959 -3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.508 3.002 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.993 2.238 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.407 4.880 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.735 5.333 -6.287 1.00 0.00 H new ATOM 990 N VAL A 98 1.478 5.131 -1.414 1.00 0.00 N ATOM 991 CA VAL A 98 1.545 6.235 -0.480 1.00 0.00 C ATOM 992 C VAL A 98 0.884 7.468 -1.105 1.00 0.00 C ATOM 993 O VAL A 98 1.319 7.984 -2.140 1.00 0.00 O ATOM 994 CB VAL A 98 3.001 6.522 0.007 1.00 0.00 C ATOM 995 CG1 VAL A 98 4.016 5.650 -0.713 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.384 7.989 -0.130 1.00 0.00 C ATOM 0 H VAL A 98 2.250 5.092 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 98 0.994 5.961 0.419 1.00 0.00 H new ATOM 0 HB VAL A 98 3.016 6.272 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.017 5.879 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.792 4.600 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.968 5.845 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.405 8.133 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.316 8.287 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.705 8.599 0.466 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.221 7.877 -0.502 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.008 9.001 -0.984 1.00 0.00 C ATOM 1008 C ILE A 99 -0.877 10.219 -0.086 1.00 0.00 C ATOM 1009 O ILE A 99 -1.344 10.207 1.052 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.513 8.660 -1.041 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -2.813 7.566 -2.057 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.334 9.904 -1.352 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.293 7.253 -2.161 1.00 0.00 C ATOM 0 H ILE A 99 -0.598 7.438 0.338 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.618 9.216 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.794 8.283 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.441 7.872 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.273 6.661 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.392 9.642 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.171 10.651 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.028 10.310 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.448 6.466 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.663 6.918 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.834 8.149 -2.466 1.00 0.00 H new ATOM 1025 N SER A 100 -0.247 11.263 -0.580 1.00 0.00 N ATOM 1026 CA SER A 100 -0.430 12.574 0.000 1.00 0.00 C ATOM 1027 C SER A 100 -0.786 13.558 -1.115 1.00 0.00 C ATOM 1028 O SER A 100 0.086 14.168 -1.735 1.00 0.00 O ATOM 1029 CB SER A 100 0.830 12.995 0.767 1.00 0.00 C ATOM 1030 OG SER A 100 1.981 12.958 -0.063 1.00 0.00 O ATOM 0 H SER A 100 0.391 11.230 -1.375 1.00 0.00 H new ATOM 0 HA SER A 100 -1.248 12.562 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.697 14.002 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.975 12.334 1.622 1.00 0.00 H new ATOM 0 HG SER A 100 1.782 13.394 -0.918 1.00 0.00 H new ATOM 1036 N TYR A 101 -2.085 13.702 -1.360 1.00 0.00 N ATOM 1037 CA TYR A 101 -2.578 14.494 -2.484 1.00 0.00 C ATOM 1038 C TYR A 101 -2.573 15.988 -2.166 1.00 0.00 C ATOM 1039 O TYR A 101 -3.494 16.498 -1.534 1.00 0.00 O ATOM 1040 CB TYR A 101 -3.998 14.055 -2.877 1.00 0.00 C ATOM 1041 CG TYR A 101 -4.065 12.798 -3.728 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -3.207 12.625 -4.808 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -5.004 11.796 -3.473 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -3.276 11.496 -5.605 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -5.073 10.665 -4.263 1.00 0.00 C ATOM 1046 CZ TYR A 101 -4.211 10.519 -5.326 1.00 0.00 C ATOM 1047 OH TYR A 101 -4.290 9.395 -6.117 1.00 0.00 O ATOM 0 H TYR A 101 -2.819 13.278 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.902 14.320 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.577 13.892 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.478 14.870 -3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.473 13.386 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.688 11.907 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.602 11.380 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.801 9.897 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.000 8.808 -5.782 1.00 0.00 H new ATOM 1057 N GLN A 102 -1.524 16.678 -2.604 1.00 0.00 N ATOM 1058 CA GLN A 102 -1.417 18.139 -2.465 1.00 0.00 C ATOM 1059 C GLN A 102 -1.536 18.580 -1.009 1.00 0.00 C ATOM 1060 O GLN A 102 -2.036 19.666 -0.723 1.00 0.00 O ATOM 1061 CB GLN A 102 -2.489 18.870 -3.295 1.00 0.00 C ATOM 1062 CG GLN A 102 -2.512 18.493 -4.765 1.00 0.00 C ATOM 1063 CD GLN A 102 -3.440 17.328 -5.063 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -3.186 16.542 -5.973 1.00 0.00 O ATOM 1065 NE2 GLN A 102 -4.520 17.211 -4.299 1.00 0.00 N ATOM 0 H GLN A 102 -0.722 16.248 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 102 -0.429 18.407 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.468 18.662 -2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.325 19.944 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.823 19.358 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.502 18.237 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.693 17.886 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.176 16.446 -4.457 1.00 0.00 H new ATOM 1074 N GLY A 103 -1.080 17.744 -0.089 1.00 0.00 N ATOM 1075 CA GLY A 103 -1.180 18.080 1.315 1.00 0.00 C ATOM 1076 C GLY A 103 -2.373 17.424 1.983 1.00 0.00 C ATOM 1077 O GLY A 103 -2.731 17.777 3.110 1.00 0.00 O ATOM 0 H GLY A 103 -0.645 16.843 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.267 17.773 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.256 19.162 1.422 1.00 0.00 H new ATOM 1081 N MET A 104 -2.987 16.471 1.289 1.00 0.00 N ATOM 1082 CA MET A 104 -4.081 15.689 1.851 1.00 0.00 C ATOM 1083 C MET A 104 -3.532 14.730 2.889 1.00 0.00 C ATOM 1084 O MET A 104 -2.321 14.617 3.043 1.00 0.00 O ATOM 1085 CB MET A 104 -4.830 14.908 0.766 1.00 0.00 C ATOM 1086 CG MET A 104 -5.948 15.696 0.099 1.00 0.00 C ATOM 1087 SD MET A 104 -7.303 16.074 1.229 1.00 0.00 S ATOM 1088 CE MET A 104 -7.868 14.426 1.650 1.00 0.00 C ATOM 0 H MET A 104 -2.743 16.221 0.331 1.00 0.00 H new ATOM 0 HA MET A 104 -4.789 16.376 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.118 14.590 0.004 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.249 14.004 1.207 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.543 16.626 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 104 -6.334 15.127 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.929 14.335 1.419 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.307 13.691 1.073 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.712 14.249 2.714 1.00 0.00 H new ATOM 1098 N GLU A 105 -4.420 14.041 3.584 1.00 0.00 N ATOM 1099 CA GLU A 105 -4.027 13.155 4.664 1.00 0.00 C ATOM 1100 C GLU A 105 -3.349 11.903 4.115 1.00 0.00 C ATOM 1101 O GLU A 105 -3.980 11.082 3.443 1.00 0.00 O ATOM 1102 CB GLU A 105 -5.251 12.803 5.515 1.00 0.00 C ATOM 1103 CG GLU A 105 -6.451 12.346 4.699 1.00 0.00 C ATOM 1104 CD GLU A 105 -7.746 12.418 5.476 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -8.000 11.519 6.304 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -8.516 13.375 5.258 1.00 0.00 O ATOM 0 H GLU A 105 -5.426 14.079 3.417 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.302 13.664 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.980 12.016 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.535 13.674 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.534 12.964 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.289 11.321 4.365 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.031 11.788 4.351 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.227 10.638 3.954 1.00 0.00 C ATOM 1115 C PRO A 106 -1.910 9.302 4.233 1.00 0.00 C ATOM 1116 O PRO A 106 -2.189 8.946 5.382 1.00 0.00 O ATOM 1117 CB PRO A 106 0.058 10.777 4.790 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.145 11.972 5.666 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.197 12.800 5.000 1.00 0.00 C ATOM 0 HA PRO A 106 -1.050 10.634 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.234 9.882 5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.929 10.908 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.459 11.673 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.781 12.535 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.763 13.392 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.769 13.497 4.279 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.215 8.598 3.158 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.777 7.255 3.228 1.00 0.00 C ATOM 1129 C LYS A 107 -1.921 6.255 2.467 1.00 0.00 C ATOM 1130 O LYS A 107 -1.367 6.583 1.426 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.174 7.236 2.619 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.239 7.913 3.456 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.552 7.961 2.701 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.483 8.927 1.534 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.835 9.349 1.086 1.00 0.00 N ATOM 0 H LYS A 107 -2.081 8.940 2.207 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.812 6.976 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.137 7.720 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.468 6.200 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.371 7.374 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.922 8.924 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.801 6.964 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.352 8.262 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.905 9.805 1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.955 8.457 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.979 9.060 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.556 8.900 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.918 10.383 1.160 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.813 5.043 2.983 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.260 3.945 2.205 1.00 0.00 C ATOM 1151 C LEU A 108 -2.410 3.081 1.709 1.00 0.00 C ATOM 1152 O LEU A 108 -2.907 2.247 2.453 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.309 3.060 3.041 1.00 0.00 C ATOM 1154 CG LEU A 108 1.062 3.640 3.422 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.381 4.898 2.635 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.138 3.899 4.918 1.00 0.00 C ATOM 0 H LEU A 108 -2.098 4.794 3.930 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.688 4.370 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.826 2.790 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.140 2.136 2.488 1.00 0.00 H new ATOM 0 HG LEU A 108 1.817 2.898 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.358 5.276 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.391 4.668 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.622 5.655 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.117 4.309 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.363 4.610 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.989 2.964 5.457 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.812 3.233 0.455 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.949 2.466 -0.047 1.00 0.00 C ATOM 1170 C ASN A 109 -3.522 1.279 -0.858 1.00 0.00 C ATOM 1171 O ASN A 109 -2.706 1.381 -1.759 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.910 3.280 -0.907 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.247 4.048 -2.032 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.073 4.397 -1.964 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.009 4.329 -3.082 1.00 0.00 N ATOM 0 H ASN A 109 -2.382 3.864 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.465 2.148 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.656 2.608 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.443 3.984 -0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.622 4.852 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.982 4.022 -3.103 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.100 0.155 -0.536 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.959 -1.023 -1.348 1.00 0.00 C ATOM 1184 C ILE A 110 -4.872 -0.920 -2.546 1.00 0.00 C ATOM 1185 O ILE A 110 -6.083 -0.814 -2.394 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.338 -2.273 -0.568 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.631 -2.248 0.784 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -3.991 -3.512 -1.372 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.893 -3.463 1.642 1.00 0.00 C ATOM 0 H ILE A 110 -4.680 0.029 0.293 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.917 -1.095 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.413 -2.297 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.557 -2.159 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.945 -1.358 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.266 -4.402 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.538 -3.499 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.920 -3.527 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.354 -3.366 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.962 -3.544 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.553 -4.357 1.120 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.308 -0.945 -3.729 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.122 -0.870 -4.922 1.00 0.00 C ATOM 1203 C LEU A 111 -5.341 -2.259 -5.493 1.00 0.00 C ATOM 1204 O LEU A 111 -6.094 -2.430 -6.453 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.487 0.019 -5.998 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.519 1.525 -5.727 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.925 1.979 -5.370 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.553 1.887 -4.624 1.00 0.00 C ATOM 0 H LEU A 111 -3.304 -1.016 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.075 -0.427 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.448 -0.285 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.994 -0.171 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.213 2.040 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.924 3.053 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.600 1.756 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.261 1.454 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.590 2.962 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.828 1.358 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.543 1.603 -4.917 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.695 -3.261 -4.900 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.689 -4.578 -5.494 1.00 0.00 C ATOM 1222 C GLU A 112 -4.455 -5.640 -4.445 1.00 0.00 C ATOM 1223 O GLU A 112 -3.450 -5.614 -3.735 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.616 -4.641 -6.578 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.431 -6.012 -7.195 1.00 0.00 C ATOM 1226 CD GLU A 112 -2.455 -5.986 -8.352 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.234 -5.947 -8.104 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -2.906 -5.979 -9.516 1.00 0.00 O ATOM 0 H GLU A 112 -4.180 -3.180 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.663 -4.769 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.871 -3.932 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.667 -4.316 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.074 -6.707 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.394 -6.387 -7.541 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.411 -6.541 -4.331 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.282 -7.686 -3.456 1.00 0.00 C ATOM 1237 C ILE A 113 -5.343 -8.963 -4.263 1.00 0.00 C ATOM 1238 O ILE A 113 -6.357 -9.259 -4.894 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.389 -7.733 -2.385 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.240 -6.577 -1.404 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.366 -9.062 -1.648 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.212 -6.668 -0.258 1.00 0.00 C ATOM 0 H ILE A 113 -6.294 -6.499 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.320 -7.591 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.351 -7.634 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.222 -6.564 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.391 -5.635 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.155 -9.075 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.527 -9.874 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.399 -9.192 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.065 -5.821 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.231 -6.653 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.045 -7.596 0.288 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.262 -9.714 -4.256 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.250 -10.997 -4.913 1.00 0.00 C ATOM 1256 C VAL A 114 -3.717 -12.061 -3.965 1.00 0.00 C ATOM 1257 O VAL A 114 -2.563 -12.008 -3.544 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.420 -10.970 -6.224 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.072 -10.057 -7.249 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -1.989 -10.517 -5.965 1.00 0.00 C ATOM 0 H VAL A 114 -3.385 -9.457 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.276 -11.241 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.392 -11.986 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.476 -10.051 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.075 -10.419 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.133 -9.045 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.434 -10.509 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.996 -9.514 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.511 -11.204 -5.267 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.587 -12.984 -3.571 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.186 -14.057 -2.681 1.00 0.00 C ATOM 1272 C LYS A 115 -3.063 -14.863 -3.311 1.00 0.00 C ATOM 1273 O LYS A 115 -3.235 -15.493 -4.352 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.366 -14.964 -2.313 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.899 -15.792 -3.468 1.00 0.00 C ATOM 1276 CD LYS A 115 -6.291 -17.181 -3.002 1.00 0.00 C ATOM 1277 CE LYS A 115 -5.138 -17.874 -2.288 1.00 0.00 C ATOM 1278 NZ LYS A 115 -4.102 -18.371 -3.233 1.00 0.00 N ATOM 0 H LYS A 115 -5.567 -13.008 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.826 -13.608 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.057 -15.635 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.174 -14.348 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.763 -15.295 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.141 -15.866 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.148 -17.113 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.603 -17.779 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.680 -17.179 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.525 -18.710 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.265 -18.680 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.483 -19.173 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.833 -17.608 -3.886 1.00 0.00 H new ATOM 1292 N THR A 116 -1.919 -14.811 -2.663 1.00 0.00 N ATOM 1293 CA THR A 116 -0.696 -15.430 -3.154 1.00 0.00 C ATOM 1294 C THR A 116 -0.275 -14.860 -4.516 1.00 0.00 C ATOM 1295 O THR A 116 0.571 -13.963 -4.588 1.00 0.00 O ATOM 1296 CB THR A 116 -0.843 -16.961 -3.239 1.00 0.00 C ATOM 1297 OG1 THR A 116 -0.991 -17.520 -1.928 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.350 -17.578 -3.944 1.00 0.00 C ATOM 0 H THR A 116 -1.806 -14.333 -1.769 1.00 0.00 H new ATOM 0 HA THR A 116 0.089 -15.195 -2.435 1.00 0.00 H new ATOM 0 HB THR A 116 -1.737 -17.187 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.085 -18.493 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.225 -18.660 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.424 -17.176 -4.954 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.260 -17.343 -3.392 1.00 0.00 H new ATOM 1306 N ALA A 117 -0.878 -15.374 -5.583 1.00 0.00 N ATOM 1307 CA ALA A 117 -0.560 -14.957 -6.936 1.00 0.00 C ATOM 1308 C ALA A 117 -1.762 -15.182 -7.836 1.00 0.00 C ATOM 1309 O ALA A 117 -2.023 -14.399 -8.749 1.00 0.00 O ATOM 1310 CB ALA A 117 0.650 -15.713 -7.461 1.00 0.00 C ATOM 0 H ALA A 117 -1.601 -16.092 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.315 -13.895 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.871 -15.385 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.509 -15.514 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.438 -16.782 -7.463 1.00 0.00 H new ATOM 1316 N GLU A 118 -2.501 -16.253 -7.563 1.00 0.00 N ATOM 1317 CA GLU A 118 -3.742 -16.516 -8.267 1.00 0.00 C ATOM 1318 C GLU A 118 -4.826 -15.599 -7.707 1.00 0.00 C ATOM 1319 O GLU A 118 -5.580 -15.956 -6.800 1.00 0.00 O ATOM 1320 CB GLU A 118 -4.151 -18.000 -8.195 1.00 0.00 C ATOM 1321 CG GLU A 118 -4.291 -18.572 -6.790 1.00 0.00 C ATOM 1322 CD GLU A 118 -2.962 -18.841 -6.118 1.00 0.00 C ATOM 1323 OE1 GLU A 118 -2.393 -17.905 -5.536 1.00 0.00 O ATOM 1324 OE2 GLU A 118 -2.497 -19.996 -6.157 1.00 0.00 O ATOM 0 H GLU A 118 -2.258 -16.950 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.600 -16.303 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.101 -18.123 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.412 -18.590 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.866 -17.877 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.860 -19.500 -6.838 1.00 0.00 H new ATOM 1331 N THR A 119 -4.827 -14.396 -8.262 1.00 0.00 N ATOM 1332 CA THR A 119 -5.683 -13.279 -7.860 1.00 0.00 C ATOM 1333 C THR A 119 -7.034 -13.686 -7.259 1.00 0.00 C ATOM 1334 O THR A 119 -7.838 -14.389 -7.874 1.00 0.00 O ATOM 1335 CB THR A 119 -5.927 -12.334 -9.066 1.00 0.00 C ATOM 1336 OG1 THR A 119 -6.726 -11.205 -8.684 1.00 0.00 O ATOM 1337 CG2 THR A 119 -6.602 -13.067 -10.218 1.00 0.00 C ATOM 0 H THR A 119 -4.208 -14.157 -9.037 1.00 0.00 H new ATOM 0 HA THR A 119 -5.136 -12.773 -7.064 1.00 0.00 H new ATOM 0 HB THR A 119 -4.950 -11.982 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.864 -10.624 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 119 -6.759 -12.376 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.968 -13.890 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 119 -7.563 -13.459 -9.886 1.00 0.00 H new ATOM 1345 N VAL A 120 -7.260 -13.236 -6.031 1.00 0.00 N ATOM 1346 CA VAL A 120 -8.579 -13.311 -5.427 1.00 0.00 C ATOM 1347 C VAL A 120 -9.434 -12.170 -5.972 1.00 0.00 C ATOM 1348 O VAL A 120 -8.910 -11.109 -6.314 1.00 0.00 O ATOM 1349 CB VAL A 120 -8.507 -13.233 -3.883 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -7.891 -11.921 -3.425 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -9.886 -13.422 -3.265 1.00 0.00 C ATOM 0 H VAL A 120 -6.546 -12.816 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.025 -14.272 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 120 -7.863 -14.044 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.854 -11.897 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.880 -11.835 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.496 -11.089 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.809 -13.363 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.556 -12.641 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.281 -14.398 -3.548 1.00 0.00 H new ATOM 1361 N GLU A 121 -10.731 -12.386 -6.084 1.00 0.00 N ATOM 1362 CA GLU A 121 -11.616 -11.380 -6.637 1.00 0.00 C ATOM 1363 C GLU A 121 -12.809 -11.155 -5.723 1.00 0.00 C ATOM 1364 O GLU A 121 -13.189 -12.040 -4.955 1.00 0.00 O ATOM 1365 CB GLU A 121 -12.071 -11.803 -8.034 1.00 0.00 C ATOM 1366 CG GLU A 121 -10.930 -11.866 -9.037 1.00 0.00 C ATOM 1367 CD GLU A 121 -11.332 -12.518 -10.338 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -12.009 -11.864 -11.155 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -10.956 -13.687 -10.561 1.00 0.00 O ATOM 0 H GLU A 121 -11.194 -13.249 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.075 -10.437 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.549 -12.781 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.824 -11.102 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.572 -10.856 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.098 -12.419 -8.600 1.00 0.00 H new ATOM 1376 N TRP A 122 -13.379 -9.962 -5.801 1.00 0.00 N ATOM 1377 CA TRP A 122 -14.522 -9.591 -4.981 1.00 0.00 C ATOM 1378 C TRP A 122 -15.813 -10.107 -5.605 1.00 0.00 C ATOM 1379 O TRP A 122 -16.400 -11.069 -5.069 1.00 0.00 O ATOM 1380 CB TRP A 122 -14.598 -8.068 -4.826 1.00 0.00 C ATOM 1381 CG TRP A 122 -13.593 -7.478 -3.878 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -13.848 -6.988 -2.629 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -12.184 -7.299 -4.097 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -12.692 -6.511 -2.062 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -11.658 -6.692 -2.943 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -11.318 -7.591 -5.155 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -10.305 -6.373 -2.817 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -9.979 -7.275 -5.030 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -9.485 -6.671 -3.871 1.00 0.00 C ATOM 1390 OXT TRP A 122 -16.226 -9.558 -6.649 1.00 0.00 O ATOM 0 H TRP A 122 -13.063 -9.226 -6.433 1.00 0.00 H new ATOM 0 HA TRP A 122 -14.397 -10.042 -3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -14.464 -7.610 -5.806 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -15.598 -7.802 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -14.819 -6.977 -2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -12.615 -6.090 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -11.690 -8.056 -6.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -9.920 -5.908 -1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -9.303 -7.499 -5.842 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -8.433 -6.434 -3.806 1.00 0.00 H new TER 1401 TRP A 122