USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1013 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 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.3 (180deg=0.653) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00294 USER MOD Single : A 4 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.55) USER MOD Single : A 5 THR OG1 : rot 116:sc= 1.3 USER MOD Single : A 9 MET CE :methyl 155:sc= -1.77 (180deg=-4.38!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 12 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.25) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.212 (180deg=-1.01) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.93) USER MOD Single : A 24 TYR OH : rot 46:sc= 0.466 USER MOD Single : A 25 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00905 USER MOD Single : A 31 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.22) USER MOD Single : A 33 SER OG : rot 180:sc= -0.333 USER MOD Single : A 34 TYR OH : rot 26:sc= 2.34 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.0852 (180deg=-0.401) USER MOD Single : A 47 ASN : amide:sc= 0.565 K(o=0.57,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.17) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 1.21 (180deg=-0.225!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 0.463 (180deg=0.0821) USER MOD Single : A 74 GLN : amide:sc= -1.35 K(o=-1.3,f=-6.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 1.22 K(o=1.2,f=-0.17) USER MOD Single : A 88 GLN : amide:sc= -4.18! C(o=-4.2!,f=-13!) USER MOD Single : A 89 SER OG : rot 120:sc= 0.485 USER MOD Single : A 92 HIS : no HE2:sc= 0.987 K(o=0.99,f=-5.5!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 0.614 (180deg=0.245) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.14) USER MOD Single : A 103 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 105 SER OG : rot 67:sc= 0.895 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 79:sc= -0.0196 USER MOD Single : A 111 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.024) USER MOD Single : A 114 LYS NZ :NH3+ 136:sc= 0.717 (180deg=-1.14!) USER MOD Single : A 122 SER OG : rot 180:sc= 0.0287 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.131 21.688 -20.716 1.00 0.00 N ATOM 2 CA MET A 1 -0.859 20.493 -20.234 1.00 0.00 C ATOM 3 C MET A 1 -0.487 20.190 -18.794 1.00 0.00 C ATOM 4 O MET A 1 0.689 20.044 -18.463 1.00 0.00 O ATOM 5 CB MET A 1 -0.545 19.270 -21.106 1.00 0.00 C ATOM 6 CG MET A 1 -1.047 19.371 -22.540 1.00 0.00 C ATOM 7 SD MET A 1 -0.158 20.604 -23.511 1.00 0.00 S ATOM 8 CE MET A 1 -0.983 20.446 -25.091 1.00 0.00 C ATOM 0 H1 MET A 1 -0.134 21.700 -21.756 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.597 22.546 -20.358 1.00 0.00 H new ATOM 0 H3 MET A 1 0.850 21.658 -20.373 1.00 0.00 H new ATOM 0 HA MET A 1 -1.926 20.707 -20.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.534 19.119 -21.122 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.984 18.387 -20.642 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.951 18.398 -23.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.108 19.619 -22.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.545 21.146 -25.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.864 19.429 -25.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.044 20.667 -24.971 1.00 0.00 H new ATOM 20 N LEU A 2 -1.491 20.109 -17.933 1.00 0.00 N ATOM 21 CA LEU A 2 -1.276 19.742 -16.545 1.00 0.00 C ATOM 22 C LEU A 2 -1.908 18.389 -16.269 1.00 0.00 C ATOM 23 O LEU A 2 -3.111 18.289 -16.031 1.00 0.00 O ATOM 24 CB LEU A 2 -1.858 20.799 -15.602 1.00 0.00 C ATOM 25 CG LEU A 2 -1.196 22.176 -15.681 1.00 0.00 C ATOM 26 CD1 LEU A 2 -1.896 23.159 -14.757 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.282 22.076 -15.334 1.00 0.00 C ATOM 0 H LEU A 2 -2.465 20.294 -18.174 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.203 19.683 -16.365 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.920 20.911 -15.819 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.778 20.433 -14.578 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.286 22.543 -16.703 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.411 24.133 -14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.942 23.253 -15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.838 22.798 -13.730 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.738 23.064 -15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.393 21.687 -14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.776 21.405 -16.036 1.00 0.00 H new ATOM 39 N SER A 3 -1.106 17.343 -16.341 1.00 0.00 N ATOM 40 CA SER A 3 -1.607 15.996 -16.131 1.00 0.00 C ATOM 41 C SER A 3 -0.573 15.143 -15.410 1.00 0.00 C ATOM 42 O SER A 3 0.279 14.512 -16.035 1.00 0.00 O ATOM 43 CB SER A 3 -1.996 15.360 -17.468 1.00 0.00 C ATOM 44 OG SER A 3 -2.944 16.166 -18.147 1.00 0.00 O ATOM 0 H SER A 3 -0.108 17.399 -16.543 1.00 0.00 H new ATOM 0 HA SER A 3 -2.496 16.052 -15.503 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.109 15.232 -18.088 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.411 14.367 -17.297 1.00 0.00 H new ATOM 0 HG SER A 3 -3.180 15.745 -19.000 1.00 0.00 H new ATOM 50 N GLN A 4 -0.635 15.165 -14.086 1.00 0.00 N ATOM 51 CA GLN A 4 0.256 14.366 -13.260 1.00 0.00 C ATOM 52 C GLN A 4 -0.563 13.538 -12.281 1.00 0.00 C ATOM 53 O GLN A 4 -0.986 14.041 -11.239 1.00 0.00 O ATOM 54 CB GLN A 4 1.227 15.265 -12.488 1.00 0.00 C ATOM 55 CG GLN A 4 2.034 16.204 -13.373 1.00 0.00 C ATOM 56 CD GLN A 4 2.956 15.471 -14.331 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.447 14.379 -14.035 1.00 0.00 O ATOM 58 NE2 GLN A 4 3.192 16.065 -15.489 1.00 0.00 N ATOM 0 H GLN A 4 -1.299 15.732 -13.559 1.00 0.00 H new ATOM 0 HA GLN A 4 0.833 13.705 -13.907 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.664 15.856 -11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 4 1.914 14.638 -11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.351 16.832 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.627 16.868 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.766 16.969 -15.695 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.800 15.619 -16.176 1.00 0.00 H new ATOM 67 N THR A 5 -0.819 12.289 -12.628 1.00 0.00 N ATOM 68 CA THR A 5 -1.615 11.426 -11.775 1.00 0.00 C ATOM 69 C THR A 5 -0.785 10.915 -10.602 1.00 0.00 C ATOM 70 O THR A 5 0.191 10.183 -10.778 1.00 0.00 O ATOM 71 CB THR A 5 -2.210 10.245 -12.563 1.00 0.00 C ATOM 72 OG1 THR A 5 -1.181 9.544 -13.271 1.00 0.00 O ATOM 73 CG2 THR A 5 -3.265 10.728 -13.546 1.00 0.00 C ATOM 0 H THR A 5 -0.490 11.852 -13.489 1.00 0.00 H new ATOM 0 HA THR A 5 -2.442 12.021 -11.388 1.00 0.00 H new ATOM 0 HB THR A 5 -2.678 9.568 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.110 8.630 -12.924 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.671 9.876 -14.091 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.067 11.227 -13.003 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.814 11.427 -14.250 1.00 0.00 H new ATOM 81 N LEU A 6 -1.165 11.335 -9.406 1.00 0.00 N ATOM 82 CA LEU A 6 -0.432 10.985 -8.198 1.00 0.00 C ATOM 83 C LEU A 6 -1.319 10.177 -7.259 1.00 0.00 C ATOM 84 O LEU A 6 -0.841 9.350 -6.481 1.00 0.00 O ATOM 85 CB LEU A 6 0.047 12.263 -7.502 1.00 0.00 C ATOM 86 CG LEU A 6 0.964 12.058 -6.294 1.00 0.00 C ATOM 87 CD1 LEU A 6 2.296 11.474 -6.731 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.171 13.368 -5.551 1.00 0.00 C ATOM 0 H LEU A 6 -1.983 11.923 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 6 0.432 10.377 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.572 12.878 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.827 12.828 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 6 0.486 11.352 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.936 11.335 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.130 10.512 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.780 12.155 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.826 13.202 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.627 14.098 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.209 13.745 -5.204 1.00 0.00 H new ATOM 100 N LEU A 7 -2.618 10.412 -7.354 1.00 0.00 N ATOM 101 CA LEU A 7 -3.579 9.791 -6.457 1.00 0.00 C ATOM 102 C LEU A 7 -3.725 8.298 -6.734 1.00 0.00 C ATOM 103 O LEU A 7 -3.889 7.512 -5.810 1.00 0.00 O ATOM 104 CB LEU A 7 -4.937 10.483 -6.590 1.00 0.00 C ATOM 105 CG LEU A 7 -5.994 10.063 -5.566 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.554 10.418 -4.155 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.328 10.718 -5.883 1.00 0.00 C ATOM 0 H LEU A 7 -3.033 11.033 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.208 9.905 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.786 11.559 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.327 10.290 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.112 8.981 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.322 10.109 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.620 9.905 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.404 11.495 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.069 10.409 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.217 11.802 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.656 10.413 -6.877 1.00 0.00 H new ATOM 119 N GLU A 8 -3.642 7.919 -8.006 1.00 0.00 N ATOM 120 CA GLU A 8 -3.880 6.540 -8.433 1.00 0.00 C ATOM 121 C GLU A 8 -3.055 5.517 -7.644 1.00 0.00 C ATOM 122 O GLU A 8 -3.590 4.497 -7.215 1.00 0.00 O ATOM 123 CB GLU A 8 -3.589 6.397 -9.928 1.00 0.00 C ATOM 124 CG GLU A 8 -2.192 6.848 -10.326 1.00 0.00 C ATOM 125 CD GLU A 8 -1.776 6.331 -11.685 1.00 0.00 C ATOM 126 OE1 GLU A 8 -1.405 5.145 -11.783 1.00 0.00 O ATOM 127 OE2 GLU A 8 -1.794 7.109 -12.658 1.00 0.00 O ATOM 0 H GLU A 8 -3.409 8.555 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.930 6.326 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.720 5.354 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.322 6.977 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.154 7.937 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.477 6.506 -9.577 1.00 0.00 H new ATOM 134 N MET A 9 -1.762 5.780 -7.453 1.00 0.00 N ATOM 135 CA MET A 9 -0.903 4.841 -6.737 1.00 0.00 C ATOM 136 C MET A 9 -1.375 4.684 -5.300 1.00 0.00 C ATOM 137 O MET A 9 -1.432 3.573 -4.772 1.00 0.00 O ATOM 138 CB MET A 9 0.564 5.283 -6.749 1.00 0.00 C ATOM 139 CG MET A 9 1.190 5.341 -8.131 1.00 0.00 C ATOM 140 SD MET A 9 0.984 6.945 -8.932 1.00 0.00 S ATOM 141 CE MET A 9 1.923 7.990 -7.824 1.00 0.00 C ATOM 0 H MET A 9 -1.292 6.624 -7.780 1.00 0.00 H new ATOM 0 HA MET A 9 -0.971 3.884 -7.253 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.638 6.268 -6.288 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.143 4.597 -6.130 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.253 5.115 -8.052 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.745 4.568 -8.758 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.272 8.871 -8.363 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.290 8.300 -6.993 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.780 7.436 -7.441 1.00 0.00 H new ATOM 151 N THR A 10 -1.724 5.803 -4.684 1.00 0.00 N ATOM 152 CA THR A 10 -2.230 5.802 -3.325 1.00 0.00 C ATOM 153 C THR A 10 -3.558 5.056 -3.264 1.00 0.00 C ATOM 154 O THR A 10 -3.725 4.148 -2.455 1.00 0.00 O ATOM 155 CB THR A 10 -2.416 7.242 -2.809 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.223 7.999 -3.059 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.725 7.256 -1.318 1.00 0.00 C ATOM 0 H THR A 10 -1.664 6.728 -5.109 1.00 0.00 H new ATOM 0 HA THR A 10 -1.503 5.298 -2.689 1.00 0.00 H new ATOM 0 HB THR A 10 -3.258 7.689 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.342 8.915 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.851 8.285 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.643 6.698 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.903 6.794 -0.772 1.00 0.00 H new ATOM 165 N GLU A 11 -4.480 5.426 -4.148 1.00 0.00 N ATOM 166 CA GLU A 11 -5.793 4.792 -4.229 1.00 0.00 C ATOM 167 C GLU A 11 -5.675 3.281 -4.394 1.00 0.00 C ATOM 168 O GLU A 11 -6.305 2.514 -3.664 1.00 0.00 O ATOM 169 CB GLU A 11 -6.575 5.390 -5.397 1.00 0.00 C ATOM 170 CG GLU A 11 -7.037 6.810 -5.136 1.00 0.00 C ATOM 171 CD GLU A 11 -7.747 6.957 -3.804 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.948 6.624 -3.712 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.106 7.421 -2.838 1.00 0.00 O ATOM 0 H GLU A 11 -4.339 6.173 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.323 4.981 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.951 5.375 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.443 4.764 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.176 7.478 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.707 7.123 -5.937 1.00 0.00 H new ATOM 180 N GLN A 12 -4.852 2.865 -5.347 1.00 0.00 N ATOM 181 CA GLN A 12 -4.613 1.454 -5.589 1.00 0.00 C ATOM 182 C GLN A 12 -4.067 0.785 -4.334 1.00 0.00 C ATOM 183 O GLN A 12 -4.581 -0.241 -3.899 1.00 0.00 O ATOM 184 CB GLN A 12 -3.636 1.279 -6.751 1.00 0.00 C ATOM 185 CG GLN A 12 -4.235 0.593 -7.968 1.00 0.00 C ATOM 186 CD GLN A 12 -4.625 -0.845 -7.699 1.00 0.00 C ATOM 187 OE1 GLN A 12 -5.755 -1.136 -7.308 1.00 0.00 O ATOM 188 NE2 GLN A 12 -3.688 -1.754 -7.905 1.00 0.00 N ATOM 0 H GLN A 12 -4.337 3.491 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.559 0.979 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.261 2.259 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.779 0.701 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.114 1.148 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.516 0.622 -8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.764 -1.469 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.889 -2.740 -7.739 1.00 0.00 H new ATOM 197 N MET A 13 -3.051 1.395 -3.733 1.00 0.00 N ATOM 198 CA MET A 13 -2.421 0.837 -2.541 1.00 0.00 C ATOM 199 C MET A 13 -3.416 0.760 -1.382 1.00 0.00 C ATOM 200 O MET A 13 -3.395 -0.191 -0.606 1.00 0.00 O ATOM 201 CB MET A 13 -1.198 1.668 -2.145 1.00 0.00 C ATOM 202 CG MET A 13 -0.430 1.104 -0.960 1.00 0.00 C ATOM 203 SD MET A 13 1.103 1.998 -0.626 1.00 0.00 S ATOM 204 CE MET A 13 2.014 1.687 -2.138 1.00 0.00 C ATOM 0 H MET A 13 -2.646 2.275 -4.051 1.00 0.00 H new ATOM 0 HA MET A 13 -2.093 -0.176 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.526 1.739 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.521 2.682 -1.908 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.064 1.136 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.199 0.056 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.080 1.818 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.827 0.667 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.690 2.387 -2.908 1.00 0.00 H new ATOM 214 N ILE A 14 -4.293 1.754 -1.279 1.00 0.00 N ATOM 215 CA ILE A 14 -5.309 1.774 -0.230 1.00 0.00 C ATOM 216 C ILE A 14 -6.291 0.623 -0.407 1.00 0.00 C ATOM 217 O ILE A 14 -6.540 -0.139 0.530 1.00 0.00 O ATOM 218 CB ILE A 14 -6.096 3.109 -0.212 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.172 4.272 0.157 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.266 3.029 0.762 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.850 5.627 0.119 1.00 0.00 C ATOM 0 H ILE A 14 -4.321 2.556 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.782 1.668 0.718 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.492 3.286 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.773 4.104 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.324 4.281 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.806 3.976 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.939 2.227 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.891 2.827 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.132 6.401 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.225 5.818 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.681 5.638 0.824 1.00 0.00 H new ATOM 233 N GLU A 15 -6.832 0.490 -1.611 1.00 0.00 N ATOM 234 CA GLU A 15 -7.832 -0.531 -1.882 1.00 0.00 C ATOM 235 C GLU A 15 -7.221 -1.928 -1.809 1.00 0.00 C ATOM 236 O GLU A 15 -7.858 -2.865 -1.324 1.00 0.00 O ATOM 237 CB GLU A 15 -8.478 -0.300 -3.248 1.00 0.00 C ATOM 238 CG GLU A 15 -9.715 -1.150 -3.470 1.00 0.00 C ATOM 239 CD GLU A 15 -10.384 -0.891 -4.800 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.875 0.236 -5.015 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.439 -1.825 -5.628 1.00 0.00 O ATOM 0 H GLU A 15 -6.595 1.075 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.604 -0.459 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.745 0.752 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.750 -0.517 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.440 -2.203 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.428 -0.959 -2.668 1.00 0.00 H new ATOM 248 N VAL A 16 -5.986 -2.070 -2.282 1.00 0.00 N ATOM 249 CA VAL A 16 -5.283 -3.341 -2.171 1.00 0.00 C ATOM 250 C VAL A 16 -5.035 -3.681 -0.705 1.00 0.00 C ATOM 251 O VAL A 16 -5.171 -4.832 -0.298 1.00 0.00 O ATOM 252 CB VAL A 16 -3.943 -3.340 -2.946 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.156 -4.614 -2.676 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.185 -3.187 -4.441 1.00 0.00 C ATOM 0 H VAL A 16 -5.457 -1.328 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.921 -4.102 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.358 -2.490 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.219 -4.588 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.943 -4.691 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.742 -5.477 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.230 -3.189 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.797 -4.016 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.702 -2.247 -4.632 1.00 0.00 H new ATOM 264 N ALA A 17 -4.699 -2.671 0.092 1.00 0.00 N ATOM 265 CA ALA A 17 -4.501 -2.867 1.521 1.00 0.00 C ATOM 266 C ALA A 17 -5.794 -3.334 2.180 1.00 0.00 C ATOM 267 O ALA A 17 -5.800 -4.316 2.919 1.00 0.00 O ATOM 268 CB ALA A 17 -4.008 -1.589 2.176 1.00 0.00 C ATOM 0 H ALA A 17 -4.559 -1.713 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.742 -3.638 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.867 -1.758 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.060 -1.292 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.743 -0.798 2.028 1.00 0.00 H new ATOM 274 N GLU A 18 -6.887 -2.626 1.898 1.00 0.00 N ATOM 275 CA GLU A 18 -8.195 -2.983 2.420 1.00 0.00 C ATOM 276 C GLU A 18 -8.601 -4.395 1.991 1.00 0.00 C ATOM 277 O GLU A 18 -9.024 -5.201 2.820 1.00 0.00 O ATOM 278 CB GLU A 18 -9.240 -1.967 1.967 1.00 0.00 C ATOM 279 CG GLU A 18 -9.086 -0.601 2.615 1.00 0.00 C ATOM 280 CD GLU A 18 -10.379 0.190 2.615 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.813 0.643 1.535 1.00 0.00 O ATOM 282 OE2 GLU A 18 -10.979 0.352 3.700 1.00 0.00 O ATOM 0 H GLU A 18 -6.886 -1.796 1.305 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.137 -2.970 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.179 -1.855 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.233 -2.356 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.740 -0.726 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.318 -0.036 2.086 1.00 0.00 H new ATOM 289 N LYS A 19 -8.465 -4.692 0.699 1.00 0.00 N ATOM 290 CA LYS A 19 -8.786 -6.023 0.184 1.00 0.00 C ATOM 291 C LYS A 19 -7.871 -7.084 0.793 1.00 0.00 C ATOM 292 O LYS A 19 -8.319 -8.177 1.136 1.00 0.00 O ATOM 293 CB LYS A 19 -8.687 -6.065 -1.348 1.00 0.00 C ATOM 294 CG LYS A 19 -9.886 -5.461 -2.068 1.00 0.00 C ATOM 295 CD LYS A 19 -9.783 -5.675 -3.573 1.00 0.00 C ATOM 296 CE LYS A 19 -11.089 -5.362 -4.294 1.00 0.00 C ATOM 297 NZ LYS A 19 -11.460 -3.923 -4.206 1.00 0.00 N ATOM 0 H LYS A 19 -8.137 -4.033 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.814 -6.242 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.787 -5.534 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.571 -7.101 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.805 -5.913 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.945 -4.394 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.989 -5.044 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.500 -6.709 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.998 -5.647 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.889 -5.967 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.451 -3.802 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.343 -3.594 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.845 -3.367 -4.834 1.00 0.00 H new ATOM 311 N GLY A 20 -6.595 -6.752 0.936 1.00 0.00 N ATOM 312 CA GLY A 20 -5.645 -7.678 1.524 1.00 0.00 C ATOM 313 C GLY A 20 -5.944 -7.956 2.982 1.00 0.00 C ATOM 314 O GLY A 20 -5.800 -9.088 3.449 1.00 0.00 O ATOM 0 H GLY A 20 -6.199 -5.855 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.661 -8.615 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.638 -7.270 1.433 1.00 0.00 H new ATOM 318 N ALA A 21 -6.367 -6.922 3.702 1.00 0.00 N ATOM 319 CA ALA A 21 -6.731 -7.059 5.106 1.00 0.00 C ATOM 320 C ALA A 21 -8.021 -7.857 5.256 1.00 0.00 C ATOM 321 O ALA A 21 -8.177 -8.625 6.201 1.00 0.00 O ATOM 322 CB ALA A 21 -6.871 -5.691 5.758 1.00 0.00 C ATOM 0 H ALA A 21 -6.466 -5.976 3.333 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.933 -7.603 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.143 -5.814 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.924 -5.157 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.647 -5.122 5.246 1.00 0.00 H new ATOM 328 N ASP A 22 -8.938 -7.683 4.313 1.00 0.00 N ATOM 329 CA ASP A 22 -10.203 -8.416 4.329 1.00 0.00 C ATOM 330 C ASP A 22 -9.987 -9.865 3.889 1.00 0.00 C ATOM 331 O ASP A 22 -10.663 -10.780 4.359 1.00 0.00 O ATOM 332 CB ASP A 22 -11.230 -7.728 3.424 1.00 0.00 C ATOM 333 CG ASP A 22 -12.596 -8.383 3.485 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.398 -8.014 4.370 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.880 -9.255 2.641 1.00 0.00 O ATOM 0 H ASP A 22 -8.832 -7.042 3.527 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.588 -8.420 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.320 -6.681 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.870 -7.744 2.395 1.00 0.00 H new ATOM 340 N ARG A 23 -9.035 -10.078 2.996 1.00 0.00 N ATOM 341 CA ARG A 23 -8.645 -11.431 2.631 1.00 0.00 C ATOM 342 C ARG A 23 -8.046 -12.114 3.855 1.00 0.00 C ATOM 343 O ARG A 23 -8.295 -13.291 4.122 1.00 0.00 O ATOM 344 CB ARG A 23 -7.639 -11.406 1.468 1.00 0.00 C ATOM 345 CG ARG A 23 -7.534 -12.722 0.709 1.00 0.00 C ATOM 346 CD ARG A 23 -6.720 -13.765 1.461 1.00 0.00 C ATOM 347 NE ARG A 23 -6.989 -15.117 0.972 1.00 0.00 N ATOM 348 CZ ARG A 23 -6.093 -16.103 0.957 1.00 0.00 C ATOM 349 NH1 ARG A 23 -4.841 -15.884 1.338 1.00 0.00 N ATOM 350 NH2 ARG A 23 -6.453 -17.317 0.562 1.00 0.00 N ATOM 0 H ARG A 23 -8.522 -9.340 2.514 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.519 -11.990 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.925 -10.619 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.655 -11.144 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.535 -13.112 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.077 -12.541 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.658 -13.544 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.952 -13.710 2.525 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.925 -15.318 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.557 -14.954 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.163 -16.646 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.414 -17.494 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.769 -18.073 0.550 1.00 0.00 H new ATOM 364 N TYR A 24 -7.274 -11.350 4.614 1.00 0.00 N ATOM 365 CA TYR A 24 -6.637 -11.858 5.810 1.00 0.00 C ATOM 366 C TYR A 24 -7.648 -12.007 6.950 1.00 0.00 C ATOM 367 O TYR A 24 -7.503 -12.888 7.793 1.00 0.00 O ATOM 368 CB TYR A 24 -5.476 -10.959 6.236 1.00 0.00 C ATOM 369 CG TYR A 24 -4.521 -11.634 7.193 1.00 0.00 C ATOM 370 CD1 TYR A 24 -3.474 -12.414 6.721 1.00 0.00 C ATOM 371 CD2 TYR A 24 -4.671 -11.502 8.565 1.00 0.00 C ATOM 372 CE1 TYR A 24 -2.605 -13.045 7.590 1.00 0.00 C ATOM 373 CE2 TYR A 24 -3.803 -12.127 9.438 1.00 0.00 C ATOM 374 CZ TYR A 24 -2.774 -12.897 8.946 1.00 0.00 C ATOM 375 OH TYR A 24 -1.923 -13.533 9.819 1.00 0.00 O ATOM 0 H TYR A 24 -7.075 -10.369 4.417 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.237 -12.845 5.579 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.927 -10.640 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.875 -10.059 6.705 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.336 -12.529 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.479 -10.901 8.957 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.798 -13.651 7.206 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.931 -12.012 10.504 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.997 -13.401 9.527 1.00 0.00 H new ATOM 385 N GLN A 25 -8.655 -11.133 6.998 1.00 0.00 N ATOM 386 CA GLN A 25 -9.672 -11.218 8.043 1.00 0.00 C ATOM 387 C GLN A 25 -10.481 -12.506 7.900 1.00 0.00 C ATOM 388 O GLN A 25 -10.932 -13.072 8.896 1.00 0.00 O ATOM 389 CB GLN A 25 -10.568 -9.956 8.075 1.00 0.00 C ATOM 390 CG GLN A 25 -11.536 -9.783 6.915 1.00 0.00 C ATOM 391 CD GLN A 25 -12.827 -10.569 7.063 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.305 -10.812 8.171 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.406 -10.952 5.939 1.00 0.00 N ATOM 0 H GLN A 25 -8.786 -10.369 6.335 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.167 -11.255 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.143 -9.969 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.922 -9.079 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.777 -8.725 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.041 -10.089 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.975 -10.729 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.284 -11.470 5.968 1.00 0.00 H new ATOM 402 N GLU A 26 -10.629 -12.988 6.668 1.00 0.00 N ATOM 403 CA GLU A 26 -11.215 -14.304 6.438 1.00 0.00 C ATOM 404 C GLU A 26 -10.234 -15.397 6.839 1.00 0.00 C ATOM 405 O GLU A 26 -10.630 -16.448 7.340 1.00 0.00 O ATOM 406 CB GLU A 26 -11.614 -14.490 4.976 1.00 0.00 C ATOM 407 CG GLU A 26 -12.950 -13.868 4.621 1.00 0.00 C ATOM 408 CD GLU A 26 -13.446 -14.298 3.255 1.00 0.00 C ATOM 409 OE1 GLU A 26 -13.086 -15.410 2.807 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.217 -13.541 2.630 1.00 0.00 O ATOM 0 H GLU A 26 -10.354 -12.491 5.821 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.113 -14.375 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.842 -14.056 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.649 -15.556 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.687 -14.144 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.860 -12.782 4.646 1.00 0.00 H new ATOM 417 N GLY A 27 -8.954 -15.132 6.604 1.00 0.00 N ATOM 418 CA GLY A 27 -7.912 -16.075 6.956 1.00 0.00 C ATOM 419 C GLY A 27 -7.800 -16.288 8.453 1.00 0.00 C ATOM 420 O GLY A 27 -7.276 -15.440 9.180 1.00 0.00 O ATOM 0 H GLY A 27 -8.618 -14.271 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.113 -17.030 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.957 -15.716 6.571 1.00 0.00 H new ATOM 424 N LYS A 28 -8.304 -17.418 8.913 1.00 0.00 N ATOM 425 CA LYS A 28 -8.252 -17.763 10.324 1.00 0.00 C ATOM 426 C LYS A 28 -7.471 -19.054 10.524 1.00 0.00 C ATOM 427 O LYS A 28 -7.278 -19.520 11.649 1.00 0.00 O ATOM 428 CB LYS A 28 -9.671 -17.879 10.886 1.00 0.00 C ATOM 429 CG LYS A 28 -10.563 -18.830 10.110 1.00 0.00 C ATOM 430 CD LYS A 28 -12.027 -18.568 10.410 1.00 0.00 C ATOM 431 CE LYS A 28 -12.936 -19.414 9.539 1.00 0.00 C ATOM 432 NZ LYS A 28 -14.337 -18.920 9.571 1.00 0.00 N ATOM 0 H LYS A 28 -8.758 -18.118 8.326 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.734 -16.973 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.615 -18.213 11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.130 -16.890 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.381 -18.715 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.314 -19.860 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.227 -18.781 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.248 -17.513 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.569 -19.405 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.907 -20.449 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.931 -19.521 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.694 -18.952 10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.368 -17.940 9.223 1.00 0.00 H new ATOM 446 N ASN A 29 -7.028 -19.628 9.416 1.00 0.00 N ATOM 447 CA ASN A 29 -6.159 -20.794 9.443 1.00 0.00 C ATOM 448 C ASN A 29 -4.845 -20.456 8.756 1.00 0.00 C ATOM 449 O ASN A 29 -4.813 -19.634 7.837 1.00 0.00 O ATOM 450 CB ASN A 29 -6.821 -21.995 8.756 1.00 0.00 C ATOM 451 CG ASN A 29 -8.099 -22.451 9.443 1.00 0.00 C ATOM 452 OD1 ASN A 29 -8.189 -22.243 10.750 1.00 0.00 O flip ATOM 453 ND2 ASN A 29 -9.003 -22.988 8.800 1.00 0.00 N flip ATOM 0 H ASN A 29 -7.259 -19.301 8.478 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.972 -21.067 10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.046 -21.735 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.115 -22.825 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.899 -23.132 7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.856 -23.289 9.272 1.00 0.00 H new ATOM 460 N SER A 30 -3.765 -21.080 9.206 1.00 0.00 N ATOM 461 CA SER A 30 -2.442 -20.783 8.682 1.00 0.00 C ATOM 462 C SER A 30 -2.320 -21.183 7.217 1.00 0.00 C ATOM 463 O SER A 30 -2.060 -20.335 6.367 1.00 0.00 O ATOM 464 CB SER A 30 -1.370 -21.472 9.526 1.00 0.00 C ATOM 465 OG SER A 30 -1.719 -22.818 9.804 1.00 0.00 O ATOM 0 H SER A 30 -3.781 -21.795 9.933 1.00 0.00 H new ATOM 0 HA SER A 30 -2.291 -19.705 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.416 -21.443 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.235 -20.928 10.461 1.00 0.00 H new ATOM 0 HG SER A 30 -1.014 -23.234 10.344 1.00 0.00 H new ATOM 471 N ASN A 31 -2.532 -22.466 6.926 1.00 0.00 N ATOM 472 CA ASN A 31 -2.402 -22.988 5.560 1.00 0.00 C ATOM 473 C ASN A 31 -0.979 -22.790 5.049 1.00 0.00 C ATOM 474 O ASN A 31 -0.672 -21.798 4.385 1.00 0.00 O ATOM 475 CB ASN A 31 -3.406 -22.325 4.603 1.00 0.00 C ATOM 476 CG ASN A 31 -4.829 -22.842 4.762 1.00 0.00 C ATOM 477 OD1 ASN A 31 -5.185 -23.294 5.956 1.00 0.00 O flip ATOM 478 ND2 ASN A 31 -5.609 -22.830 3.809 1.00 0.00 N flip ATOM 0 H ASN A 31 -2.795 -23.167 7.618 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.625 -24.055 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.398 -21.248 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.080 -22.490 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.302 -22.475 2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.562 -23.175 3.925 1.00 0.00 H new ATOM 485 N HIS A 32 -0.111 -23.736 5.380 1.00 0.00 N ATOM 486 CA HIS A 32 1.309 -23.628 5.061 1.00 0.00 C ATOM 487 C HIS A 32 1.578 -23.780 3.570 1.00 0.00 C ATOM 488 O HIS A 32 1.815 -24.891 3.087 1.00 0.00 O ATOM 489 CB HIS A 32 2.102 -24.682 5.831 1.00 0.00 C ATOM 490 CG HIS A 32 3.068 -24.110 6.818 1.00 0.00 C ATOM 491 ND1 HIS A 32 3.791 -24.890 7.691 1.00 0.00 N ATOM 492 CD2 HIS A 32 3.435 -22.831 7.066 1.00 0.00 C ATOM 493 CE1 HIS A 32 4.560 -24.120 8.432 1.00 0.00 C ATOM 494 NE2 HIS A 32 4.364 -22.866 8.074 1.00 0.00 N ATOM 0 H HIS A 32 -0.366 -24.592 5.872 1.00 0.00 H new ATOM 0 HA HIS A 32 1.629 -22.629 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.405 -25.335 6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.648 -25.303 5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.066 -21.949 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.237 -24.458 9.203 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.828 -22.054 8.481 1.00 0.00 H new ATOM 503 N SER A 33 1.525 -22.655 2.853 1.00 0.00 N ATOM 504 CA SER A 33 1.864 -22.595 1.430 1.00 0.00 C ATOM 505 C SER A 33 0.809 -23.297 0.568 1.00 0.00 C ATOM 506 O SER A 33 0.262 -24.330 0.949 1.00 0.00 O ATOM 507 CB SER A 33 3.252 -23.205 1.185 1.00 0.00 C ATOM 508 OG SER A 33 3.626 -23.116 -0.178 1.00 0.00 O ATOM 0 H SER A 33 1.244 -21.756 3.245 1.00 0.00 H new ATOM 0 HA SER A 33 1.883 -21.545 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.990 -22.690 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.251 -24.250 1.495 1.00 0.00 H new ATOM 0 HG SER A 33 4.514 -23.511 -0.300 1.00 0.00 H new ATOM 514 N TYR A 34 0.514 -22.716 -0.591 1.00 0.00 N ATOM 515 CA TYR A 34 -0.437 -23.312 -1.521 1.00 0.00 C ATOM 516 C TYR A 34 -0.262 -22.752 -2.932 1.00 0.00 C ATOM 517 O TYR A 34 -0.037 -23.507 -3.881 1.00 0.00 O ATOM 518 CB TYR A 34 -1.894 -23.144 -1.035 1.00 0.00 C ATOM 519 CG TYR A 34 -2.230 -21.790 -0.435 1.00 0.00 C ATOM 520 CD1 TYR A 34 -2.079 -21.565 0.928 1.00 0.00 C ATOM 521 CD2 TYR A 34 -2.716 -20.749 -1.219 1.00 0.00 C ATOM 522 CE1 TYR A 34 -2.389 -20.344 1.490 1.00 0.00 C ATOM 523 CE2 TYR A 34 -3.030 -19.523 -0.663 1.00 0.00 C ATOM 524 CZ TYR A 34 -2.868 -19.328 0.692 1.00 0.00 C ATOM 525 OH TYR A 34 -3.178 -18.110 1.254 1.00 0.00 O ATOM 0 H TYR A 34 0.919 -21.835 -0.907 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.224 -24.380 -1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.563 -23.325 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.102 -23.913 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.712 -22.361 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.850 -20.901 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.257 -20.185 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.400 -18.723 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.648 -17.981 2.068 1.00 0.00 H new ATOM 535 N ASP A 35 -0.338 -21.436 -3.071 1.00 0.00 N ATOM 536 CA ASP A 35 -0.247 -20.811 -4.387 1.00 0.00 C ATOM 537 C ASP A 35 0.962 -19.893 -4.489 1.00 0.00 C ATOM 538 O ASP A 35 1.362 -19.271 -3.509 1.00 0.00 O ATOM 539 CB ASP A 35 -1.520 -20.015 -4.702 1.00 0.00 C ATOM 540 CG ASP A 35 -1.413 -19.255 -6.012 1.00 0.00 C ATOM 541 OD1 ASP A 35 -0.855 -19.813 -6.977 1.00 0.00 O ATOM 542 OD2 ASP A 35 -1.869 -18.089 -6.080 1.00 0.00 O ATOM 0 H ASP A 35 -0.461 -20.783 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.134 -21.614 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.370 -20.696 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.717 -19.313 -3.892 1.00 0.00 H new ATOM 547 N PHE A 36 1.539 -19.844 -5.683 1.00 0.00 N ATOM 548 CA PHE A 36 2.612 -18.913 -6.005 1.00 0.00 C ATOM 549 C PHE A 36 2.539 -18.523 -7.480 1.00 0.00 C ATOM 550 O PHE A 36 3.412 -17.823 -7.990 1.00 0.00 O ATOM 551 CB PHE A 36 3.990 -19.523 -5.709 1.00 0.00 C ATOM 552 CG PHE A 36 4.334 -19.594 -4.250 1.00 0.00 C ATOM 553 CD1 PHE A 36 4.734 -18.459 -3.566 1.00 0.00 C ATOM 554 CD2 PHE A 36 4.256 -20.794 -3.566 1.00 0.00 C ATOM 555 CE1 PHE A 36 5.053 -18.520 -2.223 1.00 0.00 C ATOM 556 CE2 PHE A 36 4.574 -20.863 -2.224 1.00 0.00 C ATOM 557 CZ PHE A 36 4.970 -19.724 -1.550 1.00 0.00 C ATOM 0 H PHE A 36 1.274 -20.452 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 36 2.484 -18.029 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.027 -20.528 -6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.752 -18.936 -6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.797 -17.516 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.943 -21.687 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.367 -17.628 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.513 -21.806 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.214 -19.774 -0.499 1.00 0.00 H new ATOM 567 N PHE A 37 1.481 -18.961 -8.162 1.00 0.00 N ATOM 568 CA PHE A 37 1.405 -18.812 -9.615 1.00 0.00 C ATOM 569 C PHE A 37 0.000 -18.455 -10.112 1.00 0.00 C ATOM 570 O PHE A 37 -0.153 -17.950 -11.225 1.00 0.00 O ATOM 571 CB PHE A 37 1.896 -20.095 -10.302 1.00 0.00 C ATOM 572 CG PHE A 37 1.247 -21.357 -9.799 1.00 0.00 C ATOM 573 CD1 PHE A 37 1.783 -22.048 -8.723 1.00 0.00 C ATOM 574 CD2 PHE A 37 0.104 -21.855 -10.404 1.00 0.00 C ATOM 575 CE1 PHE A 37 1.191 -23.209 -8.262 1.00 0.00 C ATOM 576 CE2 PHE A 37 -0.491 -23.015 -9.946 1.00 0.00 C ATOM 577 CZ PHE A 37 0.052 -23.692 -8.873 1.00 0.00 C ATOM 0 H PHE A 37 0.673 -19.417 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 37 2.052 -17.976 -9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.716 -20.011 -11.374 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.974 -20.176 -10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.674 -21.675 -8.239 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.327 -21.330 -11.244 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.620 -23.738 -7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.381 -23.392 -10.428 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.413 -24.597 -8.512 1.00 0.00 H new ATOM 587 N GLU A 38 -1.017 -18.721 -9.305 1.00 0.00 N ATOM 588 CA GLU A 38 -2.393 -18.430 -9.689 1.00 0.00 C ATOM 589 C GLU A 38 -2.699 -16.944 -9.552 1.00 0.00 C ATOM 590 O GLU A 38 -3.017 -16.278 -10.539 1.00 0.00 O ATOM 591 CB GLU A 38 -3.374 -19.250 -8.850 1.00 0.00 C ATOM 592 CG GLU A 38 -3.345 -20.735 -9.164 1.00 0.00 C ATOM 593 CD GLU A 38 -3.806 -21.039 -10.573 1.00 0.00 C ATOM 594 OE1 GLU A 38 -5.030 -21.189 -10.780 1.00 0.00 O ATOM 595 OE2 GLU A 38 -2.955 -21.108 -11.484 1.00 0.00 O ATOM 0 H GLU A 38 -0.916 -19.138 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.511 -18.708 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.146 -19.105 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.383 -18.872 -9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.331 -21.112 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.981 -21.265 -8.455 1.00 0.00 H new ATOM 602 N THR A 39 -2.597 -16.423 -8.339 1.00 0.00 N ATOM 603 CA THR A 39 -2.912 -15.022 -8.103 1.00 0.00 C ATOM 604 C THR A 39 -1.686 -14.252 -7.611 1.00 0.00 C ATOM 605 O THR A 39 -1.579 -13.043 -7.814 1.00 0.00 O ATOM 606 CB THR A 39 -4.081 -14.871 -7.096 1.00 0.00 C ATOM 607 OG1 THR A 39 -4.503 -13.502 -7.015 1.00 0.00 O ATOM 608 CG2 THR A 39 -3.685 -15.365 -5.713 1.00 0.00 C ATOM 0 H THR A 39 -2.302 -16.941 -7.512 1.00 0.00 H new ATOM 0 HA THR A 39 -3.223 -14.596 -9.057 1.00 0.00 H new ATOM 0 HB THR A 39 -4.908 -15.482 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.242 -13.425 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.526 -15.246 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.408 -16.418 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.837 -14.786 -5.349 1.00 0.00 H new ATOM 616 N ILE A 40 -0.746 -14.955 -6.990 1.00 0.00 N ATOM 617 CA ILE A 40 0.424 -14.302 -6.413 1.00 0.00 C ATOM 618 C ILE A 40 1.365 -13.752 -7.487 1.00 0.00 C ATOM 619 O ILE A 40 1.853 -12.629 -7.361 1.00 0.00 O ATOM 620 CB ILE A 40 1.193 -15.250 -5.460 1.00 0.00 C ATOM 621 CG1 ILE A 40 0.339 -15.534 -4.220 1.00 0.00 C ATOM 622 CG2 ILE A 40 2.541 -14.655 -5.060 1.00 0.00 C ATOM 623 CD1 ILE A 40 1.067 -16.297 -3.135 1.00 0.00 C ATOM 0 H ILE A 40 -0.770 -15.968 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 40 0.051 -13.458 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 40 1.389 -16.186 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.015 -14.588 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.542 -16.101 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.058 -15.343 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.146 -14.493 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.382 -13.704 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.396 -16.459 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.397 -17.259 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.933 -15.723 -2.805 1.00 0.00 H new ATOM 635 N LYS A 41 1.590 -14.525 -8.548 1.00 0.00 N ATOM 636 CA LYS A 41 2.510 -14.118 -9.618 1.00 0.00 C ATOM 637 C LYS A 41 2.220 -12.700 -10.141 1.00 0.00 C ATOM 638 O LYS A 41 3.107 -11.845 -10.108 1.00 0.00 O ATOM 639 CB LYS A 41 2.493 -15.122 -10.778 1.00 0.00 C ATOM 640 CG LYS A 41 3.672 -16.082 -10.780 1.00 0.00 C ATOM 641 CD LYS A 41 3.642 -16.991 -11.998 1.00 0.00 C ATOM 642 CE LYS A 41 4.924 -17.796 -12.130 1.00 0.00 C ATOM 643 NZ LYS A 41 6.115 -16.925 -12.318 1.00 0.00 N ATOM 0 H LYS A 41 1.151 -15.434 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 41 3.506 -14.106 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.569 -15.698 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.482 -14.574 -11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.604 -15.517 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.654 -16.686 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.792 -17.670 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.495 -16.391 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.060 -18.408 -11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.838 -18.479 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.890 -17.481 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.873 -16.139 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.416 -16.545 -11.398 1.00 0.00 H new ATOM 657 N PRO A 42 0.990 -12.414 -10.629 1.00 0.00 N ATOM 658 CA PRO A 42 0.649 -11.075 -11.125 1.00 0.00 C ATOM 659 C PRO A 42 0.695 -10.028 -10.019 1.00 0.00 C ATOM 660 O PRO A 42 1.186 -8.915 -10.220 1.00 0.00 O ATOM 661 CB PRO A 42 -0.784 -11.224 -11.655 1.00 0.00 C ATOM 662 CG PRO A 42 -1.003 -12.690 -11.803 1.00 0.00 C ATOM 663 CD PRO A 42 -0.151 -13.341 -10.754 1.00 0.00 C ATOM 0 HA PRO A 42 1.356 -10.736 -11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.505 -10.787 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.905 -10.711 -12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.054 -12.944 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.721 -13.028 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.686 -13.451 -9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.170 -14.338 -11.057 1.00 0.00 H new ATOM 671 N ALA A 43 0.198 -10.404 -8.844 1.00 0.00 N ATOM 672 CA ALA A 43 0.132 -9.497 -7.704 1.00 0.00 C ATOM 673 C ALA A 43 1.508 -8.954 -7.334 1.00 0.00 C ATOM 674 O ALA A 43 1.661 -7.760 -7.073 1.00 0.00 O ATOM 675 CB ALA A 43 -0.496 -10.201 -6.511 1.00 0.00 C ATOM 0 H ALA A 43 -0.167 -11.338 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.490 -8.649 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.540 -9.515 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.504 -10.525 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.106 -11.069 -6.242 1.00 0.00 H new ATOM 681 N VAL A 44 2.508 -9.826 -7.321 1.00 0.00 N ATOM 682 CA VAL A 44 3.865 -9.422 -6.968 1.00 0.00 C ATOM 683 C VAL A 44 4.397 -8.374 -7.946 1.00 0.00 C ATOM 684 O VAL A 44 5.063 -7.421 -7.544 1.00 0.00 O ATOM 685 CB VAL A 44 4.825 -10.633 -6.923 1.00 0.00 C ATOM 686 CG1 VAL A 44 6.254 -10.192 -6.639 1.00 0.00 C ATOM 687 CG2 VAL A 44 4.371 -11.638 -5.875 1.00 0.00 C ATOM 0 H VAL A 44 2.407 -10.815 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 44 3.819 -8.984 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 44 4.803 -11.110 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.906 -11.065 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.588 -9.513 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.293 -9.682 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.059 -12.483 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.359 -11.161 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.369 -11.991 -6.119 1.00 0.00 H new ATOM 697 N GLU A 45 4.083 -8.536 -9.224 1.00 0.00 N ATOM 698 CA GLU A 45 4.543 -7.604 -10.241 1.00 0.00 C ATOM 699 C GLU A 45 3.836 -6.259 -10.108 1.00 0.00 C ATOM 700 O GLU A 45 4.483 -5.213 -10.047 1.00 0.00 O ATOM 701 CB GLU A 45 4.318 -8.186 -11.632 1.00 0.00 C ATOM 702 CG GLU A 45 5.071 -9.483 -11.867 1.00 0.00 C ATOM 703 CD GLU A 45 6.536 -9.385 -11.492 1.00 0.00 C ATOM 704 OE1 GLU A 45 7.343 -8.920 -12.325 1.00 0.00 O ATOM 705 OE2 GLU A 45 6.888 -9.772 -10.358 1.00 0.00 O ATOM 0 H GLU A 45 3.512 -9.303 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 45 5.611 -7.442 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.252 -8.361 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.626 -7.454 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.604 -10.279 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.987 -9.762 -12.917 1.00 0.00 H new ATOM 712 N GLU A 46 2.508 -6.302 -10.039 1.00 0.00 N ATOM 713 CA GLU A 46 1.694 -5.109 -9.927 1.00 0.00 C ATOM 714 C GLU A 46 2.096 -4.267 -8.721 1.00 0.00 C ATOM 715 O GLU A 46 2.414 -3.087 -8.850 1.00 0.00 O ATOM 716 CB GLU A 46 0.231 -5.515 -9.796 1.00 0.00 C ATOM 717 CG GLU A 46 -0.343 -6.188 -11.032 1.00 0.00 C ATOM 718 CD GLU A 46 -0.372 -5.271 -12.237 1.00 0.00 C ATOM 719 OE1 GLU A 46 -1.337 -4.490 -12.374 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.573 -5.320 -13.051 1.00 0.00 O ATOM 0 H GLU A 46 1.971 -7.169 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 46 1.845 -4.507 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.128 -6.191 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.362 -4.628 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.250 -7.072 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.355 -6.531 -10.817 1.00 0.00 H new ATOM 727 N ASN A 47 2.093 -4.889 -7.547 1.00 0.00 N ATOM 728 CA ASN A 47 2.352 -4.172 -6.300 1.00 0.00 C ATOM 729 C ASN A 47 3.790 -3.673 -6.212 1.00 0.00 C ATOM 730 O ASN A 47 4.055 -2.657 -5.569 1.00 0.00 O ATOM 731 CB ASN A 47 2.024 -5.045 -5.087 1.00 0.00 C ATOM 732 CG ASN A 47 0.531 -5.280 -4.921 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.171 -4.480 -4.315 1.00 0.00 O ATOM 734 ND2 ASN A 47 0.036 -6.391 -5.443 1.00 0.00 N ATOM 0 H ASN A 47 1.915 -5.887 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 47 1.697 -3.301 -6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.530 -6.005 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.416 -4.571 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.957 -6.601 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.648 -7.037 -5.942 1.00 0.00 H new ATOM 741 N ASP A 48 4.716 -4.379 -6.852 1.00 0.00 N ATOM 742 CA ASP A 48 6.117 -3.960 -6.859 1.00 0.00 C ATOM 743 C ASP A 48 6.269 -2.644 -7.618 1.00 0.00 C ATOM 744 O ASP A 48 6.907 -1.705 -7.133 1.00 0.00 O ATOM 745 CB ASP A 48 7.005 -5.040 -7.486 1.00 0.00 C ATOM 746 CG ASP A 48 8.483 -4.703 -7.421 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.126 -5.008 -6.392 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.014 -4.146 -8.405 1.00 0.00 O ATOM 0 H ASP A 48 4.526 -5.237 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 48 6.436 -3.812 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.831 -5.987 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.716 -5.181 -8.527 1.00 0.00 H new ATOM 753 N GLU A 49 5.665 -2.574 -8.802 1.00 0.00 N ATOM 754 CA GLU A 49 5.669 -1.343 -9.589 1.00 0.00 C ATOM 755 C GLU A 49 4.866 -0.268 -8.873 1.00 0.00 C ATOM 756 O GLU A 49 5.250 0.904 -8.852 1.00 0.00 O ATOM 757 CB GLU A 49 5.067 -1.575 -10.976 1.00 0.00 C ATOM 758 CG GLU A 49 5.753 -2.669 -11.767 1.00 0.00 C ATOM 759 CD GLU A 49 5.232 -2.758 -13.182 1.00 0.00 C ATOM 760 OE1 GLU A 49 4.077 -3.183 -13.375 1.00 0.00 O ATOM 761 OE2 GLU A 49 5.977 -2.394 -14.117 1.00 0.00 O ATOM 0 H GLU A 49 5.168 -3.352 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 49 6.704 -1.021 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.012 -1.826 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.116 -0.645 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.827 -2.482 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.605 -3.626 -11.266 1.00 0.00 H new ATOM 768 N LEU A 50 3.748 -0.690 -8.291 1.00 0.00 N ATOM 769 CA LEU A 50 2.858 0.198 -7.557 1.00 0.00 C ATOM 770 C LEU A 50 3.618 0.925 -6.456 1.00 0.00 C ATOM 771 O LEU A 50 3.602 2.151 -6.383 1.00 0.00 O ATOM 772 CB LEU A 50 1.716 -0.611 -6.937 1.00 0.00 C ATOM 773 CG LEU A 50 0.470 0.189 -6.564 1.00 0.00 C ATOM 774 CD1 LEU A 50 -0.249 0.649 -7.820 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.458 -0.645 -5.691 1.00 0.00 C ATOM 0 H LEU A 50 3.434 -1.660 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 50 2.452 0.934 -8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.427 -1.394 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.090 -1.107 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 50 0.775 1.067 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.136 1.219 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.417 1.278 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.544 -0.219 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.341 -0.059 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.762 -1.540 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.063 -0.934 -4.778 1.00 0.00 H new ATOM 787 N ALA A 51 4.301 0.151 -5.621 1.00 0.00 N ATOM 788 CA ALA A 51 5.064 0.702 -4.511 1.00 0.00 C ATOM 789 C ALA A 51 6.190 1.605 -5.002 1.00 0.00 C ATOM 790 O ALA A 51 6.469 2.638 -4.401 1.00 0.00 O ATOM 791 CB ALA A 51 5.622 -0.420 -3.650 1.00 0.00 C ATOM 0 H ALA A 51 4.341 -0.866 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 51 4.389 1.311 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.191 0.005 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.801 -1.019 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.275 -1.051 -4.253 1.00 0.00 H new ATOM 797 N ALA A 52 6.826 1.212 -6.102 1.00 0.00 N ATOM 798 CA ALA A 52 7.930 1.980 -6.671 1.00 0.00 C ATOM 799 C ALA A 52 7.454 3.343 -7.167 1.00 0.00 C ATOM 800 O ALA A 52 8.013 4.376 -6.794 1.00 0.00 O ATOM 801 CB ALA A 52 8.594 1.208 -7.804 1.00 0.00 C ATOM 0 H ALA A 52 6.595 0.363 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 52 8.664 2.142 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.414 1.797 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.982 0.263 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.862 1.010 -8.587 1.00 0.00 H new ATOM 807 N ARG A 53 6.417 3.340 -8.005 1.00 0.00 N ATOM 808 CA ARG A 53 5.876 4.568 -8.564 1.00 0.00 C ATOM 809 C ARG A 53 5.263 5.437 -7.465 1.00 0.00 C ATOM 810 O ARG A 53 5.323 6.668 -7.525 1.00 0.00 O ATOM 811 CB ARG A 53 4.832 4.222 -9.624 1.00 0.00 C ATOM 812 CG ARG A 53 4.863 5.129 -10.841 1.00 0.00 C ATOM 813 CD ARG A 53 4.211 6.476 -10.568 1.00 0.00 C ATOM 814 NE ARG A 53 4.404 7.417 -11.670 1.00 0.00 N ATOM 815 CZ ARG A 53 3.578 8.428 -11.945 1.00 0.00 C ATOM 816 NH1 ARG A 53 2.446 8.567 -11.263 1.00 0.00 N ATOM 817 NH2 ARG A 53 3.884 9.284 -12.914 1.00 0.00 N ATOM 0 H ARG A 53 5.936 2.493 -8.310 1.00 0.00 H new ATOM 0 HA ARG A 53 6.682 5.137 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.985 3.192 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.841 4.271 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.896 5.283 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.351 4.640 -11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.144 6.333 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.626 6.900 -9.654 1.00 0.00 H new ATOM 0 HE ARG A 53 5.222 7.293 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.208 7.900 -10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.815 9.340 -11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.747 9.167 -13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.255 10.058 -13.128 1.00 0.00 H new ATOM 831 N TRP A 54 4.680 4.791 -6.461 1.00 0.00 N ATOM 832 CA TRP A 54 4.122 5.501 -5.320 1.00 0.00 C ATOM 833 C TRP A 54 5.231 6.179 -4.531 1.00 0.00 C ATOM 834 O TRP A 54 5.145 7.367 -4.221 1.00 0.00 O ATOM 835 CB TRP A 54 3.343 4.546 -4.414 1.00 0.00 C ATOM 836 CG TRP A 54 2.669 5.237 -3.266 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.491 5.928 -3.305 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.128 5.302 -1.910 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.196 6.429 -2.063 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.182 6.053 -1.186 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.247 4.799 -1.238 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.322 6.310 0.176 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.382 5.054 0.113 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.426 5.804 0.808 1.00 0.00 C ATOM 0 H TRP A 54 4.582 3.777 -6.416 1.00 0.00 H new ATOM 0 HA TRP A 54 3.434 6.260 -5.693 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.592 4.025 -5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.024 3.789 -4.025 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.881 6.060 -4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.377 6.990 -1.829 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.992 4.222 -1.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.586 6.888 0.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.240 4.668 0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.562 5.987 1.864 1.00 0.00 H new ATOM 855 N ALA A 55 6.277 5.417 -4.222 1.00 0.00 N ATOM 856 CA ALA A 55 7.422 5.941 -3.492 1.00 0.00 C ATOM 857 C ALA A 55 8.027 7.133 -4.218 1.00 0.00 C ATOM 858 O ALA A 55 8.329 8.152 -3.602 1.00 0.00 O ATOM 859 CB ALA A 55 8.467 4.858 -3.288 1.00 0.00 C ATOM 0 H ALA A 55 6.353 4.430 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 55 7.076 6.276 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.315 5.269 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.033 4.036 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.804 4.491 -4.257 1.00 0.00 H new ATOM 865 N GLU A 56 8.186 7.003 -5.533 1.00 0.00 N ATOM 866 CA GLU A 56 8.697 8.076 -6.354 1.00 0.00 C ATOM 867 C GLU A 56 7.834 9.321 -6.224 1.00 0.00 C ATOM 868 O GLU A 56 8.333 10.399 -5.918 1.00 0.00 O ATOM 869 CB GLU A 56 8.730 7.623 -7.806 1.00 0.00 C ATOM 870 CG GLU A 56 9.905 6.728 -8.161 1.00 0.00 C ATOM 871 CD GLU A 56 9.947 6.405 -9.639 1.00 0.00 C ATOM 872 OE1 GLU A 56 10.106 7.341 -10.453 1.00 0.00 O ATOM 873 OE2 GLU A 56 9.819 5.218 -10.001 1.00 0.00 O ATOM 0 H GLU A 56 7.963 6.152 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 56 9.704 8.324 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.805 7.092 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.754 8.504 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.834 7.218 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.841 5.802 -7.589 1.00 0.00 H new ATOM 880 N GLY A 57 6.536 9.158 -6.443 1.00 0.00 N ATOM 881 CA GLY A 57 5.628 10.287 -6.402 1.00 0.00 C ATOM 882 C GLY A 57 5.562 10.945 -5.037 1.00 0.00 C ATOM 883 O GLY A 57 5.558 12.172 -4.934 1.00 0.00 O ATOM 0 H GLY A 57 6.095 8.262 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.941 11.025 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.630 9.954 -6.687 1.00 0.00 H new ATOM 887 N ALA A 58 5.515 10.138 -3.989 1.00 0.00 N ATOM 888 CA ALA A 58 5.435 10.659 -2.631 1.00 0.00 C ATOM 889 C ALA A 58 6.723 11.382 -2.245 1.00 0.00 C ATOM 890 O ALA A 58 6.688 12.462 -1.653 1.00 0.00 O ATOM 891 CB ALA A 58 5.137 9.537 -1.654 1.00 0.00 C ATOM 0 H ALA A 58 5.531 9.120 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 58 4.621 11.382 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.080 9.940 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.186 9.072 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.931 8.792 -1.703 1.00 0.00 H new ATOM 897 N LEU A 59 7.858 10.784 -2.593 1.00 0.00 N ATOM 898 CA LEU A 59 9.152 11.380 -2.327 1.00 0.00 C ATOM 899 C LEU A 59 9.346 12.642 -3.153 1.00 0.00 C ATOM 900 O LEU A 59 9.917 13.623 -2.683 1.00 0.00 O ATOM 901 CB LEU A 59 10.251 10.365 -2.631 1.00 0.00 C ATOM 902 CG LEU A 59 10.507 9.335 -1.527 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.553 8.324 -1.965 1.00 0.00 C ATOM 904 CD2 LEU A 59 10.947 10.031 -0.248 1.00 0.00 C ATOM 0 H LEU A 59 7.902 9.880 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 59 9.204 11.660 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.992 9.835 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.178 10.904 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 59 9.576 8.802 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.719 7.602 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.205 7.803 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.487 8.840 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.125 9.287 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.865 10.588 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.166 10.717 0.080 1.00 0.00 H new ATOM 916 N GLU A 60 8.854 12.615 -4.382 1.00 0.00 N ATOM 917 CA GLU A 60 8.942 13.766 -5.265 1.00 0.00 C ATOM 918 C GLU A 60 8.098 14.912 -4.701 1.00 0.00 C ATOM 919 O GLU A 60 8.504 16.068 -4.730 1.00 0.00 O ATOM 920 CB GLU A 60 8.463 13.388 -6.673 1.00 0.00 C ATOM 921 CG GLU A 60 8.921 14.340 -7.768 1.00 0.00 C ATOM 922 CD GLU A 60 10.427 14.348 -7.955 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.065 13.283 -7.804 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.984 15.421 -8.271 1.00 0.00 O ATOM 0 H GLU A 60 8.388 11.805 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 60 9.980 14.092 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.819 12.385 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.374 13.348 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.445 14.060 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.585 15.349 -7.529 1.00 0.00 H new ATOM 931 N LEU A 61 6.935 14.571 -4.160 1.00 0.00 N ATOM 932 CA LEU A 61 6.023 15.561 -3.592 1.00 0.00 C ATOM 933 C LEU A 61 6.709 16.360 -2.484 1.00 0.00 C ATOM 934 O LEU A 61 6.710 17.596 -2.511 1.00 0.00 O ATOM 935 CB LEU A 61 4.758 14.860 -3.064 1.00 0.00 C ATOM 936 CG LEU A 61 3.578 15.765 -2.657 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.800 16.404 -1.292 1.00 0.00 C ATOM 938 CD2 LEU A 61 3.337 16.835 -3.713 1.00 0.00 C ATOM 0 H LEU A 61 6.598 13.610 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 61 5.734 16.263 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.407 14.170 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.039 14.259 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 61 2.692 15.135 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.946 17.034 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.909 15.624 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.704 17.012 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.501 17.464 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.232 17.448 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.106 16.360 -4.666 1.00 0.00 H new ATOM 950 N ILE A 62 7.319 15.658 -1.533 1.00 0.00 N ATOM 951 CA ILE A 62 7.909 16.313 -0.369 1.00 0.00 C ATOM 952 C ILE A 62 9.122 17.171 -0.737 1.00 0.00 C ATOM 953 O ILE A 62 9.385 18.188 -0.097 1.00 0.00 O ATOM 954 CB ILE A 62 8.299 15.300 0.733 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.302 14.270 0.207 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.058 14.610 1.278 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.799 13.311 1.266 1.00 0.00 C ATOM 0 H ILE A 62 7.418 14.643 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 62 7.134 16.970 0.025 1.00 0.00 H new ATOM 0 HB ILE A 62 8.779 15.848 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.837 13.700 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.154 14.794 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.347 13.900 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.384 15.355 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.552 14.080 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.506 12.611 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.294 13.870 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.956 12.760 1.682 1.00 0.00 H new ATOM 969 N LYS A 63 9.864 16.774 -1.766 1.00 0.00 N ATOM 970 CA LYS A 63 11.019 17.557 -2.195 1.00 0.00 C ATOM 971 C LYS A 63 10.605 18.726 -3.092 1.00 0.00 C ATOM 972 O LYS A 63 11.298 19.740 -3.144 1.00 0.00 O ATOM 973 CB LYS A 63 12.081 16.670 -2.869 1.00 0.00 C ATOM 974 CG LYS A 63 11.562 15.786 -3.993 1.00 0.00 C ATOM 975 CD LYS A 63 11.531 16.497 -5.336 1.00 0.00 C ATOM 976 CE LYS A 63 12.924 16.692 -5.902 1.00 0.00 C ATOM 977 NZ LYS A 63 12.880 17.131 -7.320 1.00 0.00 N ATOM 0 H LYS A 63 9.691 15.929 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 63 11.474 17.984 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.869 17.310 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.538 16.035 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.191 14.899 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.557 15.444 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.930 15.920 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.046 17.466 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.459 17.433 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.482 15.759 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.756 16.842 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.065 16.693 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.788 18.166 -7.360 1.00 0.00 H new ATOM 991 N VAL A 64 9.475 18.594 -3.784 1.00 0.00 N ATOM 992 CA VAL A 64 8.973 19.675 -4.631 1.00 0.00 C ATOM 993 C VAL A 64 8.510 20.854 -3.780 1.00 0.00 C ATOM 994 O VAL A 64 8.868 22.001 -4.050 1.00 0.00 O ATOM 995 CB VAL A 64 7.825 19.212 -5.560 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.101 20.403 -6.174 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.365 18.317 -6.664 1.00 0.00 C ATOM 0 H VAL A 64 8.893 17.756 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 64 9.802 19.989 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 64 7.114 18.649 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.300 20.047 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.679 21.021 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.805 20.995 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.545 18.000 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.098 18.868 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.839 17.441 -6.223 1.00 0.00 H new ATOM 1007 N ARG A 65 7.720 20.580 -2.750 1.00 0.00 N ATOM 1008 CA ARG A 65 7.282 21.637 -1.850 1.00 0.00 C ATOM 1009 C ARG A 65 8.007 21.550 -0.515 1.00 0.00 C ATOM 1010 O ARG A 65 8.974 22.272 -0.287 1.00 0.00 O ATOM 1011 CB ARG A 65 5.767 21.614 -1.625 1.00 0.00 C ATOM 1012 CG ARG A 65 4.956 21.970 -2.860 1.00 0.00 C ATOM 1013 CD ARG A 65 3.540 22.387 -2.494 1.00 0.00 C ATOM 1014 NE ARG A 65 3.505 23.686 -1.813 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.385 24.290 -1.407 1.00 0.00 C ATOM 1016 NH1 ARG A 65 1.209 23.698 -1.563 1.00 0.00 N ATOM 1017 NH2 ARG A 65 2.448 25.487 -0.837 1.00 0.00 N ATOM 0 H ARG A 65 7.374 19.649 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 65 7.533 22.583 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.475 20.621 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.518 22.311 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.448 22.780 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.922 21.114 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.932 22.435 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.094 21.629 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 65 4.392 24.158 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.156 22.776 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.358 24.165 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.351 25.944 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.594 25.950 -0.526 1.00 0.00 H new ATOM 1031 N ARG A 66 7.551 20.658 0.355 1.00 0.00 N ATOM 1032 CA ARG A 66 8.112 20.542 1.694 1.00 0.00 C ATOM 1033 C ARG A 66 7.468 19.365 2.419 1.00 0.00 C ATOM 1034 O ARG A 66 6.277 19.116 2.243 1.00 0.00 O ATOM 1035 CB ARG A 66 7.874 21.848 2.465 1.00 0.00 C ATOM 1036 CG ARG A 66 8.695 21.987 3.735 1.00 0.00 C ATOM 1037 CD ARG A 66 9.152 23.423 3.931 1.00 0.00 C ATOM 1038 NE ARG A 66 9.968 23.884 2.806 1.00 0.00 N ATOM 1039 CZ ARG A 66 10.248 25.163 2.550 1.00 0.00 C ATOM 1040 NH1 ARG A 66 9.850 26.115 3.385 1.00 0.00 N ATOM 1041 NH2 ARG A 66 10.937 25.489 1.465 1.00 0.00 N ATOM 0 H ARG A 66 6.794 20.004 0.157 1.00 0.00 H new ATOM 0 HA ARG A 66 9.186 20.365 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.098 22.689 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.817 21.917 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.102 21.670 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.562 21.329 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.282 24.071 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.726 23.501 4.854 1.00 0.00 H new ATOM 0 HE ARG A 66 10.348 23.179 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.328 25.870 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.066 27.092 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.254 24.761 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.150 26.467 1.271 1.00 0.00 H new ATOM 1055 N PRO A 67 8.251 18.604 3.207 1.00 0.00 N ATOM 1056 CA PRO A 67 7.731 17.471 3.983 1.00 0.00 C ATOM 1057 C PRO A 67 6.561 17.871 4.878 1.00 0.00 C ATOM 1058 O PRO A 67 6.716 18.664 5.809 1.00 0.00 O ATOM 1059 CB PRO A 67 8.927 17.036 4.830 1.00 0.00 C ATOM 1060 CG PRO A 67 10.121 17.501 4.071 1.00 0.00 C ATOM 1061 CD PRO A 67 9.705 18.778 3.396 1.00 0.00 C ATOM 0 HA PRO A 67 7.342 16.683 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.891 17.483 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.942 15.955 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.967 17.669 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.434 16.756 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.929 19.650 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.220 18.917 2.446 1.00 0.00 H new ATOM 1069 N LYS A 68 5.394 17.319 4.587 1.00 0.00 N ATOM 1070 CA LYS A 68 4.180 17.662 5.305 1.00 0.00 C ATOM 1071 C LYS A 68 3.366 16.401 5.554 1.00 0.00 C ATOM 1072 O LYS A 68 2.917 15.762 4.603 1.00 0.00 O ATOM 1073 CB LYS A 68 3.364 18.651 4.476 1.00 0.00 C ATOM 1074 CG LYS A 68 2.350 19.456 5.269 1.00 0.00 C ATOM 1075 CD LYS A 68 1.247 19.982 4.361 1.00 0.00 C ATOM 1076 CE LYS A 68 1.806 20.620 3.096 1.00 0.00 C ATOM 1077 NZ LYS A 68 0.922 20.376 1.928 1.00 0.00 N ATOM 0 H LYS A 68 5.263 16.625 3.851 1.00 0.00 H new ATOM 0 HA LYS A 68 4.435 18.119 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.048 19.340 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.840 18.103 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.917 18.833 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.848 20.290 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.579 19.164 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.650 20.715 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.921 21.693 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.799 20.218 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.079 21.115 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.139 19.446 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.072 20.396 2.235 1.00 0.00 H new ATOM 1091 N TYR A 69 3.201 16.044 6.828 1.00 0.00 N ATOM 1092 CA TYR A 69 2.482 14.829 7.229 1.00 0.00 C ATOM 1093 C TYR A 69 3.243 13.576 6.802 1.00 0.00 C ATOM 1094 O TYR A 69 3.793 12.862 7.640 1.00 0.00 O ATOM 1095 CB TYR A 69 1.052 14.812 6.671 1.00 0.00 C ATOM 1096 CG TYR A 69 0.177 15.897 7.252 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -0.403 15.745 8.505 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -0.067 17.074 6.554 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -1.189 16.737 9.050 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -0.857 18.071 7.093 1.00 0.00 C ATOM 1101 CZ TYR A 69 -1.418 17.894 8.341 1.00 0.00 C ATOM 1102 OH TYR A 69 -2.194 18.887 8.895 1.00 0.00 O ATOM 0 H TYR A 69 3.561 16.587 7.613 1.00 0.00 H new ATOM 0 HA TYR A 69 2.415 14.834 8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.090 14.925 5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.600 13.841 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.235 14.835 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.368 17.211 5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.624 16.607 10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.034 18.982 6.541 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.259 19.639 8.270 1.00 0.00 H new ATOM 1112 N VAL A 70 3.286 13.318 5.505 1.00 0.00 N ATOM 1113 CA VAL A 70 4.039 12.197 4.978 1.00 0.00 C ATOM 1114 C VAL A 70 5.531 12.526 4.985 1.00 0.00 C ATOM 1115 O VAL A 70 5.937 13.657 4.709 1.00 0.00 O ATOM 1116 CB VAL A 70 3.581 11.815 3.548 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.764 12.977 2.582 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.322 10.581 3.052 1.00 0.00 C ATOM 0 H VAL A 70 2.805 13.873 4.797 1.00 0.00 H new ATOM 0 HA VAL A 70 3.852 11.337 5.621 1.00 0.00 H new ATOM 0 HB VAL A 70 2.518 11.580 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.434 12.678 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.173 13.828 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.817 13.258 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.983 10.333 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.393 10.782 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.121 9.743 3.720 1.00 0.00 H new ATOM 1128 N HIS A 71 6.344 11.542 5.330 1.00 0.00 N ATOM 1129 CA HIS A 71 7.784 11.733 5.414 1.00 0.00 C ATOM 1130 C HIS A 71 8.494 10.570 4.749 1.00 0.00 C ATOM 1131 O HIS A 71 7.895 9.509 4.562 1.00 0.00 O ATOM 1132 CB HIS A 71 8.225 11.861 6.875 1.00 0.00 C ATOM 1133 CG HIS A 71 7.768 13.131 7.524 1.00 0.00 C ATOM 1134 ND1 HIS A 71 6.707 13.191 8.396 1.00 0.00 N ATOM 1135 CD2 HIS A 71 8.236 14.393 7.417 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.539 14.437 8.795 1.00 0.00 C ATOM 1137 NE2 HIS A 71 7.455 15.188 8.216 1.00 0.00 N ATOM 0 H HIS A 71 6.031 10.598 5.558 1.00 0.00 H new ATOM 0 HA HIS A 71 8.048 12.655 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.837 11.013 7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.313 11.807 6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.071 14.717 6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.779 14.783 9.480 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.565 16.194 8.342 1.00 0.00 H new ATOM 1146 N LYS A 72 9.764 10.762 4.398 1.00 0.00 N ATOM 1147 CA LYS A 72 10.531 9.721 3.721 1.00 0.00 C ATOM 1148 C LYS A 72 10.603 8.470 4.581 1.00 0.00 C ATOM 1149 O LYS A 72 10.497 7.356 4.074 1.00 0.00 O ATOM 1150 CB LYS A 72 11.945 10.204 3.392 1.00 0.00 C ATOM 1151 CG LYS A 72 12.782 9.155 2.671 1.00 0.00 C ATOM 1152 CD LYS A 72 14.179 9.660 2.358 1.00 0.00 C ATOM 1153 CE LYS A 72 15.047 8.551 1.782 1.00 0.00 C ATOM 1154 NZ LYS A 72 14.480 7.981 0.527 1.00 0.00 N ATOM 0 H LYS A 72 10.281 11.624 4.570 1.00 0.00 H new ATOM 0 HA LYS A 72 10.020 9.485 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.882 11.099 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.449 10.490 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.850 8.259 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.284 8.868 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.120 10.485 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.639 10.052 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.045 8.941 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.157 7.758 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.240 7.538 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.762 7.267 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.042 8.740 -0.032 1.00 0.00 H new ATOM 1168 N GLU A 73 10.773 8.669 5.884 1.00 0.00 N ATOM 1169 CA GLU A 73 10.781 7.569 6.847 1.00 0.00 C ATOM 1170 C GLU A 73 9.554 6.675 6.667 1.00 0.00 C ATOM 1171 O GLU A 73 9.658 5.449 6.658 1.00 0.00 O ATOM 1172 CB GLU A 73 10.816 8.123 8.268 1.00 0.00 C ATOM 1173 CG GLU A 73 12.108 8.841 8.599 1.00 0.00 C ATOM 1174 CD GLU A 73 13.295 7.901 8.684 1.00 0.00 C ATOM 1175 OE1 GLU A 73 13.856 7.536 7.629 1.00 0.00 O ATOM 1176 OE2 GLU A 73 13.681 7.530 9.811 1.00 0.00 O ATOM 0 H GLU A 73 10.908 9.590 6.302 1.00 0.00 H new ATOM 0 HA GLU A 73 11.672 6.967 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.981 8.811 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.672 7.305 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.303 9.598 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.995 9.364 9.549 1.00 0.00 H new ATOM 1183 N GLN A 74 8.399 7.312 6.498 1.00 0.00 N ATOM 1184 CA GLN A 74 7.144 6.601 6.308 1.00 0.00 C ATOM 1185 C GLN A 74 7.118 5.908 4.952 1.00 0.00 C ATOM 1186 O GLN A 74 6.758 4.740 4.849 1.00 0.00 O ATOM 1187 CB GLN A 74 5.965 7.573 6.411 1.00 0.00 C ATOM 1188 CG GLN A 74 5.848 8.267 7.757 1.00 0.00 C ATOM 1189 CD GLN A 74 5.520 7.319 8.900 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.893 6.147 8.893 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.814 7.829 9.894 1.00 0.00 N ATOM 0 H GLN A 74 8.309 8.328 6.489 1.00 0.00 H new ATOM 0 HA GLN A 74 7.059 5.846 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.062 8.329 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.041 7.029 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.785 8.778 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.074 9.032 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.523 8.806 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.560 7.246 10.691 1.00 0.00 H new ATOM 1200 N ILE A 75 7.520 6.644 3.920 1.00 0.00 N ATOM 1201 CA ILE A 75 7.503 6.145 2.551 1.00 0.00 C ATOM 1202 C ILE A 75 8.398 4.916 2.399 1.00 0.00 C ATOM 1203 O ILE A 75 8.035 3.949 1.725 1.00 0.00 O ATOM 1204 CB ILE A 75 7.943 7.251 1.564 1.00 0.00 C ATOM 1205 CG1 ILE A 75 7.028 8.468 1.718 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.903 6.737 0.129 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.511 9.697 0.983 1.00 0.00 C ATOM 0 H ILE A 75 7.865 7.600 4.010 1.00 0.00 H new ATOM 0 HA ILE A 75 6.480 5.851 2.317 1.00 0.00 H new ATOM 0 HB ILE A 75 8.969 7.541 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.033 8.209 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.931 8.705 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.216 7.530 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.577 5.886 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.888 6.427 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.809 10.515 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.493 9.984 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.580 9.480 -0.083 1.00 0.00 H new ATOM 1219 N GLU A 76 9.550 4.943 3.049 1.00 0.00 N ATOM 1220 CA GLU A 76 10.475 3.821 2.994 1.00 0.00 C ATOM 1221 C GLU A 76 9.888 2.618 3.722 1.00 0.00 C ATOM 1222 O GLU A 76 9.979 1.484 3.249 1.00 0.00 O ATOM 1223 CB GLU A 76 11.814 4.207 3.621 1.00 0.00 C ATOM 1224 CG GLU A 76 12.547 5.315 2.878 1.00 0.00 C ATOM 1225 CD GLU A 76 12.939 4.925 1.471 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.619 3.891 1.304 1.00 0.00 O ATOM 1227 OE2 GLU A 76 12.577 5.655 0.525 1.00 0.00 O ATOM 0 H GLU A 76 9.867 5.727 3.620 1.00 0.00 H new ATOM 0 HA GLU A 76 10.638 3.557 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.644 4.524 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.453 3.325 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.913 6.201 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.443 5.588 3.436 1.00 0.00 H new ATOM 1234 N ALA A 77 9.279 2.879 4.871 1.00 0.00 N ATOM 1235 CA ALA A 77 8.687 1.825 5.682 1.00 0.00 C ATOM 1236 C ALA A 77 7.470 1.203 5.004 1.00 0.00 C ATOM 1237 O ALA A 77 7.341 -0.018 4.950 1.00 0.00 O ATOM 1238 CB ALA A 77 8.299 2.361 7.049 1.00 0.00 C ATOM 0 H ALA A 77 9.182 3.816 5.263 1.00 0.00 H new ATOM 0 HA ALA A 77 9.440 1.046 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.858 1.560 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.186 2.742 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.574 3.167 6.932 1.00 0.00 H new ATOM 1244 N VAL A 78 6.585 2.042 4.486 1.00 0.00 N ATOM 1245 CA VAL A 78 5.351 1.574 3.865 1.00 0.00 C ATOM 1246 C VAL A 78 5.634 0.802 2.580 1.00 0.00 C ATOM 1247 O VAL A 78 5.036 -0.240 2.341 1.00 0.00 O ATOM 1248 CB VAL A 78 4.388 2.745 3.574 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.185 2.284 2.759 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.931 3.385 4.877 1.00 0.00 C ATOM 0 H VAL A 78 6.698 3.056 4.483 1.00 0.00 H new ATOM 0 HA VAL A 78 4.872 0.901 4.576 1.00 0.00 H new ATOM 0 HB VAL A 78 4.927 3.486 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.526 3.132 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.525 1.871 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.642 1.519 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.252 4.210 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.416 2.642 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.797 3.762 5.421 1.00 0.00 H new ATOM 1260 N LYS A 79 6.559 1.304 1.769 1.00 0.00 N ATOM 1261 CA LYS A 79 6.926 0.638 0.521 1.00 0.00 C ATOM 1262 C LYS A 79 7.361 -0.802 0.794 1.00 0.00 C ATOM 1263 O LYS A 79 6.996 -1.728 0.067 1.00 0.00 O ATOM 1264 CB LYS A 79 8.045 1.430 -0.176 1.00 0.00 C ATOM 1265 CG LYS A 79 8.432 0.913 -1.556 1.00 0.00 C ATOM 1266 CD LYS A 79 9.459 -0.206 -1.481 1.00 0.00 C ATOM 1267 CE LYS A 79 9.742 -0.797 -2.849 1.00 0.00 C ATOM 1268 NZ LYS A 79 10.762 -1.876 -2.783 1.00 0.00 N ATOM 0 H LYS A 79 7.069 2.168 1.952 1.00 0.00 H new ATOM 0 HA LYS A 79 6.059 0.605 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.731 2.470 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.929 1.419 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.541 0.553 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.834 1.734 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.384 0.177 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.097 -0.988 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.819 -1.194 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.087 -0.011 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.929 -2.255 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.650 -1.491 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.422 -2.638 -2.162 1.00 0.00 H new ATOM 1282 N ASP A 80 8.124 -0.977 1.860 1.00 0.00 N ATOM 1283 CA ASP A 80 8.618 -2.290 2.253 1.00 0.00 C ATOM 1284 C ASP A 80 7.499 -3.129 2.874 1.00 0.00 C ATOM 1285 O ASP A 80 7.268 -4.270 2.468 1.00 0.00 O ATOM 1286 CB ASP A 80 9.772 -2.122 3.244 1.00 0.00 C ATOM 1287 CG ASP A 80 10.407 -3.436 3.651 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.372 -3.863 2.985 1.00 0.00 O ATOM 1289 OD2 ASP A 80 9.970 -4.028 4.660 1.00 0.00 O ATOM 0 H ASP A 80 8.418 -0.219 2.476 1.00 0.00 H new ATOM 0 HA ASP A 80 8.976 -2.814 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.533 -1.481 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.406 -1.612 4.135 1.00 0.00 H new ATOM 1294 N ASN A 81 6.788 -2.541 3.834 1.00 0.00 N ATOM 1295 CA ASN A 81 5.727 -3.246 4.558 1.00 0.00 C ATOM 1296 C ASN A 81 4.569 -3.631 3.644 1.00 0.00 C ATOM 1297 O ASN A 81 3.918 -4.648 3.867 1.00 0.00 O ATOM 1298 CB ASN A 81 5.195 -2.397 5.719 1.00 0.00 C ATOM 1299 CG ASN A 81 6.035 -2.526 6.979 1.00 0.00 C ATOM 1300 OD1 ASN A 81 5.793 -3.396 7.818 1.00 0.00 O ATOM 1301 ND2 ASN A 81 7.023 -1.659 7.126 1.00 0.00 N ATOM 0 H ASN A 81 6.927 -1.575 4.131 1.00 0.00 H new ATOM 0 HA ASN A 81 6.173 -4.159 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.165 -1.351 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.170 -2.694 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.615 -1.697 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.193 -0.953 6.410 1.00 0.00 H new ATOM 1308 N PHE A 82 4.313 -2.820 2.625 1.00 0.00 N ATOM 1309 CA PHE A 82 3.223 -3.085 1.692 1.00 0.00 C ATOM 1310 C PHE A 82 3.493 -4.358 0.901 1.00 0.00 C ATOM 1311 O PHE A 82 2.614 -5.206 0.751 1.00 0.00 O ATOM 1312 CB PHE A 82 3.024 -1.900 0.740 1.00 0.00 C ATOM 1313 CG PHE A 82 1.880 -2.081 -0.211 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.586 -2.241 0.261 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.100 -2.094 -1.577 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.468 -2.410 -0.618 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.052 -2.261 -2.459 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.233 -2.420 -1.979 1.00 0.00 C ATOM 0 H PHE A 82 4.845 -1.973 2.423 1.00 0.00 H new ATOM 0 HA PHE A 82 2.308 -3.222 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.858 -0.997 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.940 -1.746 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.400 -2.234 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.103 -1.972 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.473 -2.534 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.236 -2.267 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.054 -2.552 -2.668 1.00 0.00 H new ATOM 1328 N LEU A 83 4.720 -4.498 0.413 1.00 0.00 N ATOM 1329 CA LEU A 83 5.118 -5.697 -0.311 1.00 0.00 C ATOM 1330 C LEU A 83 5.018 -6.920 0.593 1.00 0.00 C ATOM 1331 O LEU A 83 4.546 -7.982 0.178 1.00 0.00 O ATOM 1332 CB LEU A 83 6.539 -5.543 -0.858 1.00 0.00 C ATOM 1333 CG LEU A 83 6.668 -4.636 -2.087 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.113 -4.563 -2.549 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.776 -5.140 -3.213 1.00 0.00 C ATOM 0 H LEU A 83 5.455 -3.797 0.506 1.00 0.00 H new ATOM 0 HA LEU A 83 4.440 -5.837 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.176 -5.148 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.923 -6.531 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 83 6.345 -3.633 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.183 -3.915 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.732 -4.160 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.463 -5.562 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.878 -4.486 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.072 -6.153 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.738 -5.143 -2.881 1.00 0.00 H new ATOM 1347 N GLU A 84 5.446 -6.753 1.835 1.00 0.00 N ATOM 1348 CA GLU A 84 5.321 -7.801 2.836 1.00 0.00 C ATOM 1349 C GLU A 84 3.851 -8.146 3.070 1.00 0.00 C ATOM 1350 O GLU A 84 3.479 -9.313 3.067 1.00 0.00 O ATOM 1351 CB GLU A 84 5.972 -7.358 4.146 1.00 0.00 C ATOM 1352 CG GLU A 84 7.474 -7.159 4.045 1.00 0.00 C ATOM 1353 CD GLU A 84 8.212 -8.451 3.765 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.444 -9.215 4.721 1.00 0.00 O ATOM 1355 OE2 GLU A 84 8.563 -8.701 2.594 1.00 0.00 O ATOM 0 H GLU A 84 5.885 -5.897 2.175 1.00 0.00 H new ATOM 0 HA GLU A 84 5.832 -8.692 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.512 -6.425 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.764 -8.102 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.690 -6.442 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.844 -6.727 4.975 1.00 0.00 H new ATOM 1362 N LEU A 85 3.024 -7.118 3.243 1.00 0.00 N ATOM 1363 CA LEU A 85 1.595 -7.284 3.516 1.00 0.00 C ATOM 1364 C LEU A 85 0.946 -8.190 2.475 1.00 0.00 C ATOM 1365 O LEU A 85 0.245 -9.143 2.822 1.00 0.00 O ATOM 1366 CB LEU A 85 0.915 -5.906 3.539 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.529 -5.865 4.059 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.852 -4.478 4.589 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.519 -6.235 2.963 1.00 0.00 C ATOM 0 H LEU A 85 3.324 -6.144 3.198 1.00 0.00 H new ATOM 0 HA LEU A 85 1.472 -7.758 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.518 -5.238 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.925 -5.503 2.526 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.617 -6.594 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.878 -4.458 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.171 -4.232 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.739 -3.747 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.533 -6.197 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.427 -5.530 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.307 -7.243 2.606 1.00 0.00 H new ATOM 1381 N VAL A 86 1.201 -7.894 1.203 1.00 0.00 N ATOM 1382 CA VAL A 86 0.649 -8.677 0.101 1.00 0.00 C ATOM 1383 C VAL A 86 1.043 -10.149 0.223 1.00 0.00 C ATOM 1384 O VAL A 86 0.201 -11.040 0.108 1.00 0.00 O ATOM 1385 CB VAL A 86 1.117 -8.128 -1.268 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.540 -8.955 -2.407 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.726 -6.665 -1.418 1.00 0.00 C ATOM 0 H VAL A 86 1.789 -7.114 0.909 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.436 -8.594 0.159 1.00 0.00 H new ATOM 0 HB VAL A 86 2.204 -8.201 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.882 -8.551 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.872 -9.989 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.549 -8.919 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.063 -6.296 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.358 -6.569 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.192 -6.081 -0.625 1.00 0.00 H new ATOM 1397 N LEU A 87 2.321 -10.392 0.483 1.00 0.00 N ATOM 1398 CA LEU A 87 2.831 -11.751 0.610 1.00 0.00 C ATOM 1399 C LEU A 87 2.253 -12.443 1.844 1.00 0.00 C ATOM 1400 O LEU A 87 1.799 -13.588 1.775 1.00 0.00 O ATOM 1401 CB LEU A 87 4.361 -11.734 0.688 1.00 0.00 C ATOM 1402 CG LEU A 87 5.027 -13.111 0.749 1.00 0.00 C ATOM 1403 CD1 LEU A 87 4.777 -13.887 -0.536 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.518 -12.971 1.009 1.00 0.00 C ATOM 0 H LEU A 87 3.024 -9.664 0.610 1.00 0.00 H new ATOM 0 HA LEU A 87 2.522 -12.312 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.747 -11.200 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.657 -11.166 1.570 1.00 0.00 H new ATOM 0 HG LEU A 87 4.585 -13.669 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.259 -14.863 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.705 -14.021 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.188 -13.334 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.975 -13.960 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.975 -12.393 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.675 -12.460 1.959 1.00 0.00 H new ATOM 1416 N GLN A 88 2.250 -11.732 2.964 1.00 0.00 N ATOM 1417 CA GLN A 88 1.833 -12.298 4.241 1.00 0.00 C ATOM 1418 C GLN A 88 0.338 -12.585 4.270 1.00 0.00 C ATOM 1419 O GLN A 88 -0.120 -13.449 5.018 1.00 0.00 O ATOM 1420 CB GLN A 88 2.217 -11.360 5.390 1.00 0.00 C ATOM 1421 CG GLN A 88 3.710 -11.056 5.450 1.00 0.00 C ATOM 1422 CD GLN A 88 4.560 -12.271 5.775 1.00 0.00 C ATOM 1423 OE1 GLN A 88 4.166 -13.410 5.527 1.00 0.00 O ATOM 1424 NE2 GLN A 88 5.746 -12.035 6.311 1.00 0.00 N ATOM 0 H GLN A 88 2.534 -10.754 3.014 1.00 0.00 H new ATOM 0 HA GLN A 88 2.354 -13.247 4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.667 -10.425 5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.907 -11.808 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.028 -10.645 4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.887 -10.287 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.038 -11.076 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.369 -12.812 6.533 1.00 0.00 H new ATOM 1433 N SER A 89 -0.420 -11.876 3.443 1.00 0.00 N ATOM 1434 CA SER A 89 -1.854 -12.109 3.339 1.00 0.00 C ATOM 1435 C SER A 89 -2.121 -13.493 2.742 1.00 0.00 C ATOM 1436 O SER A 89 -3.199 -14.070 2.926 1.00 0.00 O ATOM 1437 CB SER A 89 -2.510 -11.021 2.483 1.00 0.00 C ATOM 1438 OG SER A 89 -3.926 -11.146 2.479 1.00 0.00 O ATOM 0 H SER A 89 -0.066 -11.137 2.836 1.00 0.00 H new ATOM 0 HA SER A 89 -2.289 -12.070 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.231 -10.039 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.135 -11.084 1.462 1.00 0.00 H new ATOM 0 HG SER A 89 -4.328 -10.327 2.837 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.132 -14.032 2.036 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.259 -15.353 1.439 1.00 0.00 C ATOM 1446 C TYR A 90 -0.503 -16.410 2.243 1.00 0.00 C ATOM 1447 O TYR A 90 -1.105 -17.375 2.714 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.767 -15.341 -0.009 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.690 -14.604 -0.958 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.858 -15.199 -1.419 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -1.391 -13.322 -1.399 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.702 -14.536 -2.289 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -2.232 -12.651 -2.271 1.00 0.00 C ATOM 1454 CZ TYR A 90 -3.385 -13.264 -2.714 1.00 0.00 C ATOM 1455 OH TYR A 90 -4.225 -12.603 -3.584 1.00 0.00 O ATOM 0 H TYR A 90 -0.237 -13.574 1.865 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.317 -15.615 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.220 -14.880 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.651 -16.369 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.110 -16.197 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.487 -12.840 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.607 -15.013 -2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.986 -11.653 -2.602 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.857 -11.717 -3.784 1.00 0.00 H new ATOM 1465 N VAL A 91 0.803 -16.219 2.422 1.00 0.00 N ATOM 1466 CA VAL A 91 1.636 -17.233 3.072 1.00 0.00 C ATOM 1467 C VAL A 91 1.368 -17.316 4.575 1.00 0.00 C ATOM 1468 O VAL A 91 1.617 -18.349 5.193 1.00 0.00 O ATOM 1469 CB VAL A 91 3.144 -16.999 2.824 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.456 -17.060 1.338 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.603 -15.675 3.415 1.00 0.00 C ATOM 0 H VAL A 91 1.305 -15.380 2.130 1.00 0.00 H new ATOM 0 HA VAL A 91 1.358 -18.183 2.616 1.00 0.00 H new ATOM 0 HB VAL A 91 3.693 -17.795 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.522 -16.893 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.182 -18.040 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.888 -16.290 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.668 -15.541 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.046 -14.859 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.425 -15.675 4.490 1.00 0.00 H new ATOM 1481 N HIS A 92 0.856 -16.222 5.148 1.00 0.00 N ATOM 1482 CA HIS A 92 0.462 -16.186 6.564 1.00 0.00 C ATOM 1483 C HIS A 92 1.645 -16.461 7.491 1.00 0.00 C ATOM 1484 O HIS A 92 1.486 -17.085 8.539 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.657 -17.198 6.847 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.936 -16.920 6.117 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.866 -17.894 5.831 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.442 -15.768 5.625 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.887 -17.355 5.194 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.656 -16.063 5.056 1.00 0.00 N ATOM 0 H HIS A 92 0.703 -15.344 4.651 1.00 0.00 H new ATOM 0 HA HIS A 92 0.097 -15.179 6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.307 -18.194 6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.858 -17.210 7.918 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -2.779 -18.881 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.977 -14.794 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.763 -17.881 4.845 1.00 0.00 H new ATOM 1499 N HIS A 93 2.823 -15.971 7.116 1.00 0.00 N ATOM 1500 CA HIS A 93 4.017 -16.150 7.938 1.00 0.00 C ATOM 1501 C HIS A 93 3.919 -15.323 9.219 1.00 0.00 C ATOM 1502 O HIS A 93 4.401 -15.741 10.271 1.00 0.00 O ATOM 1503 CB HIS A 93 5.283 -15.783 7.145 1.00 0.00 C ATOM 1504 CG HIS A 93 6.542 -15.741 7.965 1.00 0.00 C ATOM 1505 ND1 HIS A 93 7.326 -16.845 8.222 1.00 0.00 N ATOM 1506 CD2 HIS A 93 7.160 -14.701 8.573 1.00 0.00 C ATOM 1507 CE1 HIS A 93 8.367 -16.483 8.949 1.00 0.00 C ATOM 1508 NE2 HIS A 93 8.294 -15.185 9.173 1.00 0.00 N ATOM 0 H HIS A 93 2.977 -15.449 6.253 1.00 0.00 H new ATOM 0 HA HIS A 93 4.085 -17.201 8.217 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.413 -16.505 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.135 -14.809 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.821 -13.676 8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.148 -17.140 9.302 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.968 -14.634 9.704 1.00 0.00 H new ATOM 1517 N ILE A 94 3.301 -14.153 9.130 1.00 0.00 N ATOM 1518 CA ILE A 94 3.108 -13.316 10.308 1.00 0.00 C ATOM 1519 C ILE A 94 1.721 -13.535 10.892 1.00 0.00 C ATOM 1520 O ILE A 94 0.815 -14.006 10.203 1.00 0.00 O ATOM 1521 CB ILE A 94 3.303 -11.814 10.011 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.304 -11.334 8.959 1.00 0.00 C ATOM 1523 CG2 ILE A 94 4.732 -11.549 9.564 1.00 0.00 C ATOM 1524 CD1 ILE A 94 2.347 -9.840 8.717 1.00 0.00 C ATOM 0 H ILE A 94 2.928 -13.764 8.264 1.00 0.00 H new ATOM 0 HA ILE A 94 3.871 -13.614 11.028 1.00 0.00 H new ATOM 0 HB ILE A 94 3.118 -11.252 10.927 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.502 -11.851 8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.298 -11.614 9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.857 -10.486 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.422 -11.849 10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.943 -12.122 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.611 -9.573 7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.119 -9.314 9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.342 -9.556 8.374 1.00 0.00 H new ATOM 1536 N HIS A 95 1.562 -13.184 12.157 1.00 0.00 N ATOM 1537 CA HIS A 95 0.321 -13.445 12.873 1.00 0.00 C ATOM 1538 C HIS A 95 -0.734 -12.377 12.595 1.00 0.00 C ATOM 1539 O HIS A 95 -0.438 -11.316 12.040 1.00 0.00 O ATOM 1540 CB HIS A 95 0.595 -13.565 14.371 1.00 0.00 C ATOM 1541 CG HIS A 95 1.218 -14.873 14.750 1.00 0.00 C ATOM 1542 ND1 HIS A 95 2.551 -15.167 14.551 1.00 0.00 N ATOM 1543 CD2 HIS A 95 0.672 -15.981 15.301 1.00 0.00 C ATOM 1544 CE1 HIS A 95 2.793 -16.397 14.962 1.00 0.00 C ATOM 1545 NE2 HIS A 95 1.670 -16.915 15.420 1.00 0.00 N ATOM 0 H HIS A 95 2.278 -12.716 12.712 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.081 -14.391 12.510 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.253 -12.753 14.680 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.341 -13.443 14.917 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.360 -16.107 15.594 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.750 -16.896 14.929 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.561 -17.855 15.800 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.961 -12.665 13.015 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.127 -11.864 12.649 1.00 0.00 C ATOM 1556 C LYS A 96 -3.088 -10.478 13.291 1.00 0.00 C ATOM 1557 O LYS A 96 -3.571 -9.503 12.713 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.395 -12.616 13.069 1.00 0.00 C ATOM 1559 CG LYS A 96 -5.664 -12.177 12.347 1.00 0.00 C ATOM 1560 CD LYS A 96 -6.861 -12.996 12.806 1.00 0.00 C ATOM 1561 CE LYS A 96 -8.121 -12.674 12.011 1.00 0.00 C ATOM 1562 NZ LYS A 96 -8.056 -13.175 10.609 1.00 0.00 N ATOM 0 H LYS A 96 -2.177 -13.459 13.618 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.123 -11.714 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.244 -13.681 12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.540 -12.486 14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.848 -11.119 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.532 -12.290 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.632 -14.057 12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.043 -12.807 13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.984 -13.114 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.274 -11.595 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.015 -13.211 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.466 -12.536 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.641 -14.129 10.600 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.490 -10.395 14.473 1.00 0.00 N ATOM 1577 CA LYS A 97 -2.438 -9.143 15.221 1.00 0.00 C ATOM 1578 C LYS A 97 -1.479 -8.148 14.566 1.00 0.00 C ATOM 1579 O LYS A 97 -1.857 -7.012 14.268 1.00 0.00 O ATOM 1580 CB LYS A 97 -2.010 -9.411 16.666 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.950 -8.162 17.530 1.00 0.00 C ATOM 1582 CD LYS A 97 -1.422 -8.480 18.917 1.00 0.00 C ATOM 1583 CE LYS A 97 -1.359 -7.241 19.792 1.00 0.00 C ATOM 1584 NZ LYS A 97 -0.776 -7.543 21.128 1.00 0.00 N ATOM 0 H LYS A 97 -2.033 -11.181 14.936 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.436 -8.705 15.217 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.706 -10.119 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.029 -9.886 16.662 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.309 -7.419 17.056 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.944 -7.722 17.608 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.062 -9.226 19.388 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.428 -8.919 18.836 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.760 -6.476 19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.361 -6.831 19.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.748 -6.674 21.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.361 -8.255 21.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.190 -7.911 21.010 1.00 0.00 H new ATOM 1598 N ARG A 98 -0.241 -8.579 14.340 1.00 0.00 N ATOM 1599 CA ARG A 98 0.769 -7.718 13.733 1.00 0.00 C ATOM 1600 C ARG A 98 0.366 -7.313 12.319 1.00 0.00 C ATOM 1601 O ARG A 98 0.655 -6.198 11.889 1.00 0.00 O ATOM 1602 CB ARG A 98 2.139 -8.412 13.729 1.00 0.00 C ATOM 1603 CG ARG A 98 3.233 -7.648 12.985 1.00 0.00 C ATOM 1604 CD ARG A 98 3.393 -6.216 13.490 1.00 0.00 C ATOM 1605 NE ARG A 98 3.782 -6.155 14.895 1.00 0.00 N ATOM 1606 CZ ARG A 98 3.757 -5.039 15.628 1.00 0.00 C ATOM 1607 NH1 ARG A 98 3.463 -3.871 15.066 1.00 0.00 N ATOM 1608 NH2 ARG A 98 4.061 -5.086 16.914 1.00 0.00 N ATOM 0 H ARG A 98 0.086 -9.518 14.568 1.00 0.00 H new ATOM 0 HA ARG A 98 0.844 -6.811 14.333 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.457 -8.566 14.760 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.031 -9.399 13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.180 -8.177 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.000 -7.630 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.143 -5.704 12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.454 -5.680 13.354 1.00 0.00 H new ATOM 0 HE ARG A 98 4.092 -7.017 15.344 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.255 -3.823 14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.446 -3.023 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.315 -5.975 17.346 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.042 -4.234 17.474 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.314 -8.208 11.607 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.774 -7.912 10.255 1.00 0.00 C ATOM 1624 C PHE A 99 -1.661 -6.670 10.258 1.00 0.00 C ATOM 1625 O PHE A 99 -1.547 -5.809 9.383 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.542 -9.103 9.671 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.859 -8.956 8.207 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -3.027 -8.334 7.790 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -0.987 -9.444 7.247 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -3.313 -8.197 6.445 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -1.268 -9.310 5.903 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.435 -8.689 5.502 1.00 0.00 C ATOM 0 H PHE A 99 -0.557 -9.140 11.943 1.00 0.00 H new ATOM 0 HA PHE A 99 0.099 -7.723 9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.956 -10.010 9.818 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.472 -9.232 10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.720 -7.953 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.076 -9.935 7.555 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.223 -7.705 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.577 -9.690 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.660 -8.589 4.450 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.526 -6.574 11.260 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.438 -5.445 11.374 1.00 0.00 C ATOM 1644 C LYS A 100 -2.661 -4.153 11.597 1.00 0.00 C ATOM 1645 O LYS A 100 -2.942 -3.140 10.967 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.430 -5.675 12.517 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.558 -4.648 12.577 1.00 0.00 C ATOM 1648 CD LYS A 100 -6.276 -4.525 11.240 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.523 -3.656 11.341 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.238 -2.316 11.917 1.00 0.00 N ATOM 0 H LYS A 100 -2.614 -7.265 12.005 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.996 -5.356 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.863 -6.670 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.888 -5.660 13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.272 -4.936 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.152 -3.678 12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.597 -4.100 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.553 -5.517 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.960 -3.536 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.266 -4.162 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.115 -1.758 11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.862 -2.425 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.537 -1.826 11.325 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.670 -4.207 12.480 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.847 -3.035 12.789 1.00 0.00 C ATOM 1666 C ASP A 101 -0.033 -2.612 11.572 1.00 0.00 C ATOM 1667 O ASP A 101 0.159 -1.421 11.324 1.00 0.00 O ATOM 1668 CB ASP A 101 0.091 -3.333 13.956 1.00 0.00 C ATOM 1669 CG ASP A 101 0.703 -2.074 14.544 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.696 -1.569 13.982 1.00 0.00 O ATOM 1671 OD2 ASP A 101 0.197 -1.591 15.579 1.00 0.00 O ATOM 0 H ASP A 101 -1.414 -5.048 12.997 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.514 -2.219 13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.458 -3.864 14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.887 -3.997 13.618 1.00 0.00 H new ATOM 1676 N ILE A 102 0.450 -3.593 10.820 1.00 0.00 N ATOM 1677 CA ILE A 102 1.134 -3.316 9.562 1.00 0.00 C ATOM 1678 C ILE A 102 0.180 -2.619 8.596 1.00 0.00 C ATOM 1679 O ILE A 102 0.548 -1.645 7.938 1.00 0.00 O ATOM 1680 CB ILE A 102 1.697 -4.600 8.912 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.789 -5.201 9.801 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.244 -4.309 7.518 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.396 -6.468 9.243 1.00 0.00 C ATOM 0 H ILE A 102 0.382 -4.583 11.057 1.00 0.00 H new ATOM 0 HA ILE A 102 1.978 -2.663 9.783 1.00 0.00 H new ATOM 0 HB ILE A 102 0.886 -5.321 8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.578 -4.462 9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.370 -5.412 10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.635 -5.228 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.445 -3.919 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.044 -3.572 7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.161 -6.836 9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.619 -7.224 9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.846 -6.259 8.272 1.00 0.00 H new ATOM 1695 N THR A 103 -1.052 -3.111 8.542 1.00 0.00 N ATOM 1696 CA THR A 103 -2.096 -2.481 7.748 1.00 0.00 C ATOM 1697 C THR A 103 -2.306 -1.040 8.215 1.00 0.00 C ATOM 1698 O THR A 103 -2.383 -0.120 7.399 1.00 0.00 O ATOM 1699 CB THR A 103 -3.425 -3.261 7.850 1.00 0.00 C ATOM 1700 OG1 THR A 103 -3.207 -4.643 7.532 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.477 -2.687 6.911 1.00 0.00 C ATOM 0 H THR A 103 -1.352 -3.948 9.042 1.00 0.00 H new ATOM 0 HA THR A 103 -1.777 -2.486 6.706 1.00 0.00 H new ATOM 0 HB THR A 103 -3.789 -3.169 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.720 -5.074 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.401 -3.258 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.666 -1.645 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.119 -2.746 5.883 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.370 -0.856 9.532 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.485 0.468 10.134 1.00 0.00 C ATOM 1711 C GLU A 104 -1.342 1.365 9.674 1.00 0.00 C ATOM 1712 O GLU A 104 -1.566 2.489 9.238 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.456 0.360 11.662 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.595 -0.449 12.254 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.946 0.171 11.993 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.283 1.177 12.654 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.682 -0.346 11.131 1.00 0.00 O ATOM 0 H GLU A 104 -2.344 -1.619 10.209 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.433 0.903 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.511 -0.091 11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.481 1.364 12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.575 -1.456 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.446 -0.546 13.329 1.00 0.00 H new ATOM 1724 N SER A 105 -0.122 0.846 9.763 1.00 0.00 N ATOM 1725 CA SER A 105 1.072 1.592 9.375 1.00 0.00 C ATOM 1726 C SER A 105 0.986 2.060 7.920 1.00 0.00 C ATOM 1727 O SER A 105 1.285 3.214 7.605 1.00 0.00 O ATOM 1728 CB SER A 105 2.316 0.722 9.570 1.00 0.00 C ATOM 1729 OG SER A 105 2.417 0.257 10.908 1.00 0.00 O ATOM 0 H SER A 105 0.068 -0.097 10.103 1.00 0.00 H new ATOM 0 HA SER A 105 1.142 2.475 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.278 -0.128 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.207 1.295 9.314 1.00 0.00 H new ATOM 0 HG SER A 105 1.684 -0.367 11.094 1.00 0.00 H new ATOM 1735 N VAL A 106 0.567 1.157 7.038 1.00 0.00 N ATOM 1736 CA VAL A 106 0.427 1.480 5.622 1.00 0.00 C ATOM 1737 C VAL A 106 -0.694 2.497 5.410 1.00 0.00 C ATOM 1738 O VAL A 106 -0.479 3.560 4.823 1.00 0.00 O ATOM 1739 CB VAL A 106 0.151 0.211 4.779 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.034 0.561 3.309 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.277 -0.799 4.945 1.00 0.00 C ATOM 0 H VAL A 106 0.319 0.197 7.279 1.00 0.00 H new ATOM 0 HA VAL A 106 1.370 1.914 5.290 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.774 -0.237 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.226 -0.348 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.878 1.242 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.870 1.040 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.064 -1.683 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.216 -0.354 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.359 -1.084 5.994 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.879 2.175 5.923 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.052 3.033 5.764 1.00 0.00 C ATOM 1753 C LEU A 107 -2.838 4.415 6.381 1.00 0.00 C ATOM 1754 O LEU A 107 -3.328 5.411 5.854 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.290 2.367 6.375 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.936 1.272 5.518 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.130 0.665 6.236 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.357 1.835 4.169 1.00 0.00 C ATOM 0 H LEU A 107 -2.053 1.322 6.455 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.210 3.171 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.013 1.936 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.036 3.137 6.574 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.200 0.486 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.575 -0.110 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.803 0.228 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.870 1.441 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.814 1.046 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.077 2.639 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.482 2.224 3.648 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.110 4.468 7.490 1.00 0.00 N ATOM 1771 CA TYR A 108 -1.802 5.730 8.158 1.00 0.00 C ATOM 1772 C TYR A 108 -1.090 6.683 7.202 1.00 0.00 C ATOM 1773 O TYR A 108 -1.512 7.827 7.016 1.00 0.00 O ATOM 1774 CB TYR A 108 -0.933 5.467 9.395 1.00 0.00 C ATOM 1775 CG TYR A 108 -0.640 6.693 10.230 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -1.640 7.296 10.984 1.00 0.00 C ATOM 1777 CD2 TYR A 108 0.638 7.238 10.279 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -1.374 8.406 11.761 1.00 0.00 C ATOM 1779 CE2 TYR A 108 0.911 8.349 11.052 1.00 0.00 C ATOM 1780 CZ TYR A 108 -0.098 8.930 11.789 1.00 0.00 C ATOM 1781 OH TYR A 108 0.171 10.034 12.566 1.00 0.00 O ATOM 0 H TYR A 108 -1.719 3.646 7.950 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.735 6.197 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.431 4.727 10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.012 5.029 9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.641 6.890 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.431 6.785 9.703 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.161 8.862 12.344 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.909 8.760 11.079 1.00 0.00 H new ATOM 0 HH TYR A 108 1.116 10.276 12.475 1.00 0.00 H new ATOM 1791 N THR A 109 -0.024 6.198 6.579 1.00 0.00 N ATOM 1792 CA THR A 109 0.737 6.992 5.627 1.00 0.00 C ATOM 1793 C THR A 109 -0.092 7.286 4.379 1.00 0.00 C ATOM 1794 O THR A 109 -0.051 8.391 3.840 1.00 0.00 O ATOM 1795 CB THR A 109 2.040 6.272 5.237 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.775 5.949 6.424 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.901 7.139 4.325 1.00 0.00 C ATOM 0 H THR A 109 0.334 5.253 6.718 1.00 0.00 H new ATOM 0 HA THR A 109 0.990 7.938 6.106 1.00 0.00 H new ATOM 0 HB THR A 109 1.781 5.363 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.393 5.147 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.814 6.602 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.348 7.371 3.415 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.158 8.065 4.839 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.866 6.299 3.947 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.738 6.463 2.791 1.00 0.00 C ATOM 1807 C LEU A 110 -2.743 7.582 3.019 1.00 0.00 C ATOM 1808 O LEU A 110 -3.011 8.373 2.120 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.475 5.162 2.480 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.594 4.028 1.967 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.411 2.759 1.793 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.939 4.422 0.656 1.00 0.00 C ATOM 0 H LEU A 110 -0.908 5.376 4.380 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.111 6.726 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.984 4.826 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.246 5.367 1.737 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.812 3.836 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.767 1.959 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.840 2.468 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.212 2.938 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.313 3.603 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.709 4.637 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.324 5.309 0.809 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.287 7.650 4.229 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.248 8.692 4.575 1.00 0.00 C ATOM 1826 C HIS A 111 -3.591 10.062 4.520 1.00 0.00 C ATOM 1827 O HIS A 111 -4.212 11.035 4.099 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.841 8.451 5.964 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.752 7.262 6.030 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.282 6.784 7.207 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.231 6.451 5.052 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.041 5.734 6.954 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.027 5.512 5.656 1.00 0.00 N ATOM 0 H HIS A 111 -3.080 6.998 4.985 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.057 8.658 3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.029 8.316 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.393 9.339 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.024 6.531 3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.582 5.155 7.688 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.527 4.763 5.177 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.324 10.122 4.923 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.571 11.368 4.896 1.00 0.00 C ATOM 1844 C ALA A 112 -1.351 11.829 3.459 1.00 0.00 C ATOM 1845 O ALA A 112 -1.511 13.005 3.148 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.241 11.201 5.619 1.00 0.00 C ATOM 0 H ALA A 112 -1.799 9.320 5.272 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.149 12.133 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.310 12.141 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.423 10.919 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.344 10.423 5.129 1.00 0.00 H new ATOM 1852 N VAL A 113 -1.020 10.886 2.582 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.762 11.203 1.182 1.00 0.00 C ATOM 1854 C VAL A 113 -2.063 11.554 0.471 1.00 0.00 C ATOM 1855 O VAL A 113 -2.130 12.520 -0.288 1.00 0.00 O ATOM 1856 CB VAL A 113 -0.075 10.029 0.446 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.213 10.389 -1.003 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.208 9.629 1.156 1.00 0.00 C ATOM 0 H VAL A 113 -0.924 9.898 2.816 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.088 12.060 1.162 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.758 9.180 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.696 9.547 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.722 10.622 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.872 11.257 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.676 8.802 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.891 10.478 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.978 9.320 2.176 1.00 0.00 H new ATOM 1868 N LYS A 114 -3.098 10.773 0.746 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.410 10.985 0.151 1.00 0.00 C ATOM 1870 C LYS A 114 -4.959 12.356 0.539 1.00 0.00 C ATOM 1871 O LYS A 114 -5.548 13.060 -0.285 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.367 9.880 0.606 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.743 9.952 -0.034 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.608 8.775 0.384 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.990 8.831 -0.250 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.922 8.905 -1.735 1.00 0.00 N ATOM 0 H LYS A 114 -3.053 9.979 1.384 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.315 10.950 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.922 8.911 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.478 9.933 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.231 10.884 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.642 9.964 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.116 7.845 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.707 8.765 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.559 7.949 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.529 9.698 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.622 8.256 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.127 9.877 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.970 8.634 -2.053 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.756 12.733 1.794 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.200 14.032 2.276 1.00 0.00 C ATOM 1892 C ASP A 115 -4.346 15.145 1.678 1.00 0.00 C ATOM 1893 O ASP A 115 -4.865 16.191 1.299 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.159 14.083 3.806 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.606 15.422 4.361 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.735 15.860 4.047 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -4.833 16.037 5.121 1.00 0.00 O ATOM 0 H ASP A 115 -4.288 12.159 2.495 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.231 14.182 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.797 13.296 4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.144 13.875 4.145 1.00 0.00 H new ATOM 1902 N GLU A 116 -3.041 14.901 1.578 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.115 15.852 0.965 1.00 0.00 C ATOM 1904 C GLU A 116 -2.478 16.139 -0.485 1.00 0.00 C ATOM 1905 O GLU A 116 -2.525 17.293 -0.900 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.681 15.328 1.046 1.00 0.00 C ATOM 1907 CG GLU A 116 0.054 15.786 2.290 1.00 0.00 C ATOM 1908 CD GLU A 116 0.230 17.288 2.311 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.230 17.778 1.751 1.00 0.00 O ATOM 1910 OE2 GLU A 116 -0.638 17.991 2.869 1.00 0.00 O ATOM 0 H GLU A 116 -2.598 14.047 1.916 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.192 16.786 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.698 14.238 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.131 15.658 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.498 15.471 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.031 15.304 2.335 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.741 15.094 -1.256 1.00 0.00 N ATOM 1918 CA ILE A 117 -3.108 15.263 -2.657 1.00 0.00 C ATOM 1919 C ILE A 117 -4.380 16.103 -2.781 1.00 0.00 C ATOM 1920 O ILE A 117 -4.449 17.028 -3.590 1.00 0.00 O ATOM 1921 CB ILE A 117 -3.301 13.901 -3.359 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.992 13.106 -3.323 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.771 14.092 -4.794 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -2.103 11.706 -3.884 1.00 0.00 C ATOM 0 H ILE A 117 -2.708 14.125 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.288 15.784 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 117 -4.070 13.341 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.233 13.651 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.644 13.046 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.900 13.119 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.721 14.626 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.029 14.669 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -1.134 11.211 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.837 11.141 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -2.419 11.756 -4.926 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.368 15.803 -1.945 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.624 16.540 -1.956 1.00 0.00 C ATOM 1938 C ALA A 118 -6.449 17.926 -1.342 1.00 0.00 C ATOM 1939 O ALA A 118 -7.288 18.807 -1.514 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.697 15.763 -1.217 1.00 0.00 C ATOM 0 H ALA A 118 -5.323 15.055 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.936 16.667 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.630 16.326 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.847 14.798 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.386 15.606 -0.184 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.362 18.104 -0.611 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.046 19.386 -0.002 1.00 0.00 C ATOM 1948 C ARG A 119 -4.352 20.287 -1.016 1.00 0.00 C ATOM 1949 O ARG A 119 -4.684 21.465 -1.145 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.156 19.177 1.227 1.00 0.00 C ATOM 1951 CG ARG A 119 -3.826 20.454 1.978 1.00 0.00 C ATOM 1952 CD ARG A 119 -2.929 20.180 3.173 1.00 0.00 C ATOM 1953 NE ARG A 119 -3.492 19.163 4.060 1.00 0.00 N ATOM 1954 CZ ARG A 119 -3.785 19.372 5.342 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -3.583 20.561 5.890 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -4.281 18.391 6.080 1.00 0.00 N ATOM 0 H ARG A 119 -4.678 17.371 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.971 19.868 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.652 18.486 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.226 18.703 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.334 21.156 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.748 20.928 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.949 19.854 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.777 21.104 3.731 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.671 18.236 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.201 21.323 5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.809 20.715 6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.440 17.472 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.504 18.554 7.062 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.401 19.715 -1.743 1.00 0.00 N ATOM 1971 CA GLU A 120 -2.669 20.438 -2.772 1.00 0.00 C ATOM 1972 C GLU A 120 -3.591 20.852 -3.910 1.00 0.00 C ATOM 1973 O GLU A 120 -3.560 22.002 -4.355 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.527 19.584 -3.312 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.389 19.404 -2.324 1.00 0.00 C ATOM 1976 CD GLU A 120 0.232 20.725 -1.930 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.746 21.429 -2.826 1.00 0.00 O ATOM 1978 OE2 GLU A 120 0.199 21.073 -0.732 1.00 0.00 O ATOM 0 H GLU A 120 -3.117 18.741 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.256 21.339 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.916 18.604 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.139 20.042 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.759 18.897 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.374 18.761 -2.763 1.00 0.00 H new ATOM 1985 N ASP A 121 -4.401 19.917 -4.381 1.00 0.00 N ATOM 1986 CA ASP A 121 -5.349 20.202 -5.446 1.00 0.00 C ATOM 1987 C ASP A 121 -6.552 19.279 -5.351 1.00 0.00 C ATOM 1988 O ASP A 121 -6.488 18.110 -5.733 1.00 0.00 O ATOM 1989 CB ASP A 121 -4.686 20.060 -6.819 1.00 0.00 C ATOM 1990 CG ASP A 121 -5.609 20.474 -7.947 1.00 0.00 C ATOM 1991 OD1 ASP A 121 -5.848 21.694 -8.106 1.00 0.00 O ATOM 1992 OD2 ASP A 121 -6.104 19.594 -8.675 1.00 0.00 O ATOM 0 H ASP A 121 -4.421 18.955 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 121 -5.686 21.232 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -3.783 20.669 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -4.377 19.025 -6.966 1.00 0.00 H new ATOM 1997 N SER A 122 -7.643 19.800 -4.821 1.00 0.00 N ATOM 1998 CA SER A 122 -8.864 19.029 -4.685 1.00 0.00 C ATOM 1999 C SER A 122 -9.750 19.205 -5.913 1.00 0.00 C ATOM 2000 O SER A 122 -10.655 20.041 -5.930 1.00 0.00 O ATOM 2001 CB SER A 122 -9.610 19.436 -3.412 1.00 0.00 C ATOM 2002 OG SER A 122 -9.525 20.835 -3.196 1.00 0.00 O ATOM 0 H SER A 122 -7.708 20.758 -4.476 1.00 0.00 H new ATOM 0 HA SER A 122 -8.602 17.974 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.656 19.140 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.191 18.907 -2.556 1.00 0.00 H new ATOM 0 HG SER A 122 -10.011 21.070 -2.378 1.00 0.00 H new ATOM 2008 N ARG A 123 -9.465 18.442 -6.958 1.00 0.00 N ATOM 2009 CA ARG A 123 -10.265 18.512 -8.167 1.00 0.00 C ATOM 2010 C ARG A 123 -11.352 17.445 -8.147 1.00 0.00 C ATOM 2011 O ARG A 123 -12.232 17.418 -9.009 1.00 0.00 O ATOM 2012 CB ARG A 123 -9.382 18.360 -9.410 1.00 0.00 C ATOM 2013 CG ARG A 123 -9.978 19.004 -10.656 1.00 0.00 C ATOM 2014 CD ARG A 123 -9.808 20.523 -10.657 1.00 0.00 C ATOM 2015 NE ARG A 123 -10.200 21.143 -9.388 1.00 0.00 N ATOM 2016 CZ ARG A 123 -11.100 22.116 -9.269 1.00 0.00 C ATOM 2017 NH1 ARG A 123 -11.734 22.587 -10.333 1.00 0.00 N ATOM 2018 NH2 ARG A 123 -11.371 22.618 -8.073 1.00 0.00 N ATOM 0 H ARG A 123 -8.694 17.775 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 123 -10.743 19.491 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -8.407 18.805 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -9.216 17.300 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.501 18.586 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.038 18.758 -10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -8.767 20.767 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.405 20.950 -11.463 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.752 20.805 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -11.534 22.204 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.422 23.333 -10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -10.890 22.259 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -12.060 23.364 -7.977 1.00 0.00 H new TER 2032 ARG A 123