USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 112 THR OG1 : rot 111:sc= 0.81 USER MOD Set 1.2: A 115 GLN : amide:sc= -0.171 X(o=0.64,f=0.56) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 34 TYR OH : rot 151:sc= 0.41 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.22 F(o=-4.6,f=-1.2) USER MOD Single : A 48 GLN : amide:sc= 0.577 K(o=0.58,f=-5.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00334 K(o=-0.0033,f=-4.1!) USER MOD Single : A 55 TYR OH : rot 36:sc= 0.287 USER MOD Single : A 62 GLN : amide:sc= 0.543 K(o=0.54,f=-1.4e-05) USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0957) USER MOD Single : A 72 THR OG1 : rot 68:sc= -0.33 USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= 0.923 (180deg=-0.311) USER MOD Single : A 77 SER OG : rot 180:sc= -0.318 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -3.91! (180deg=-7.8!) USER MOD Single : A 83 THR OG1 : rot 150:sc= 0.00696 USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.456 USER MOD Single : A 91 GLN : amide:sc= -0.643 X(o=-0.64,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.0109 (180deg=-0.44) USER MOD Single : A 101 ASN : amide:sc= -0.498 K(o=-0.5,f=-5!) USER MOD Single : A 105 LYS NZ :NH3+ -111:sc= 0.604 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -3.56! C(o=-3.6!,f=-4.7!) USER MOD Single : A 110 THR OG1 : rot 22:sc= 0.0922 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.71 K(o=-0.71,f=-2.1!) USER MOD Single : A 128 GLN : amide:sc= -0.534 K(o=-0.53,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 16.172 13.071 -13.106 1.00 0.00 N ATOM 2 CA GLY A 26 17.251 12.472 -12.265 1.00 0.00 C ATOM 3 C GLY A 26 17.184 13.054 -10.850 1.00 0.00 C ATOM 4 O GLY A 26 17.467 14.217 -10.637 1.00 0.00 O ATOM 0 HA2 GLY A 26 17.138 11.388 -12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.226 12.676 -12.707 1.00 0.00 H new ATOM 10 N SER A 27 16.810 12.252 -9.883 1.00 0.00 N ATOM 11 CA SER A 27 16.721 12.755 -8.478 1.00 0.00 C ATOM 12 C SER A 27 17.742 12.036 -7.588 1.00 0.00 C ATOM 13 O SER A 27 17.913 10.834 -7.672 1.00 0.00 O ATOM 14 CB SER A 27 15.296 12.433 -8.025 1.00 0.00 C ATOM 15 OG SER A 27 14.492 13.598 -8.150 1.00 0.00 O ATOM 0 H SER A 27 16.563 11.270 -10.007 1.00 0.00 H new ATOM 0 HA SER A 27 16.938 13.821 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.883 11.625 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.299 12.088 -6.991 1.00 0.00 H new ATOM 0 HG SER A 27 13.577 13.396 -7.862 1.00 0.00 H new ATOM 21 N HIS A 28 18.416 12.768 -6.736 1.00 0.00 N ATOM 22 CA HIS A 28 19.426 12.138 -5.831 1.00 0.00 C ATOM 23 C HIS A 28 19.099 12.459 -4.364 1.00 0.00 C ATOM 24 O HIS A 28 19.981 12.541 -3.528 1.00 0.00 O ATOM 25 CB HIS A 28 20.764 12.761 -6.241 1.00 0.00 C ATOM 26 CG HIS A 28 21.813 11.686 -6.327 1.00 0.00 C ATOM 27 ND1 HIS A 28 22.002 10.929 -7.472 1.00 0.00 N ATOM 28 CD2 HIS A 28 22.735 11.231 -5.418 1.00 0.00 C ATOM 29 CE1 HIS A 28 23.004 10.065 -7.225 1.00 0.00 C ATOM 30 NE2 HIS A 28 23.486 10.207 -5.987 1.00 0.00 N ATOM 0 H HIS A 28 18.310 13.777 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 28 19.441 11.051 -5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 28 20.664 13.264 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 28 21.062 13.518 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 28 22.859 11.610 -4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 28 23.373 9.345 -7.940 1.00 0.00 H new ATOM 0 HE2 HIS A 28 24.242 9.678 -5.552 1.00 0.00 H new ATOM 38 N MET A 29 17.837 12.640 -4.048 1.00 0.00 N ATOM 39 CA MET A 29 17.441 12.956 -2.639 1.00 0.00 C ATOM 40 C MET A 29 15.927 12.774 -2.459 1.00 0.00 C ATOM 41 O MET A 29 15.169 12.860 -3.410 1.00 0.00 O ATOM 42 CB MET A 29 17.838 14.424 -2.426 1.00 0.00 C ATOM 43 CG MET A 29 17.017 15.331 -3.349 1.00 0.00 C ATOM 44 SD MET A 29 17.724 16.996 -3.348 1.00 0.00 S ATOM 45 CE MET A 29 16.681 17.687 -4.656 1.00 0.00 C ATOM 0 H MET A 29 17.062 12.582 -4.709 1.00 0.00 H new ATOM 0 HA MET A 29 17.927 12.298 -1.919 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.674 14.706 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 29 18.901 14.554 -2.627 1.00 0.00 H new ATOM 0 HG2 MET A 29 17.012 14.928 -4.362 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.980 15.365 -3.014 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.951 18.729 -4.824 1.00 0.00 H new ATOM 0 HE2 MET A 29 16.828 17.121 -5.576 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.635 17.627 -4.357 1.00 0.00 H new ATOM 55 N GLN A 30 15.489 12.528 -1.242 1.00 0.00 N ATOM 56 CA GLN A 30 14.023 12.339 -0.963 1.00 0.00 C ATOM 57 C GLN A 30 13.488 11.077 -1.660 1.00 0.00 C ATOM 58 O GLN A 30 14.144 10.497 -2.505 1.00 0.00 O ATOM 59 CB GLN A 30 13.330 13.598 -1.506 1.00 0.00 C ATOM 60 CG GLN A 30 12.591 14.312 -0.369 1.00 0.00 C ATOM 61 CD GLN A 30 13.188 15.708 -0.166 1.00 0.00 C ATOM 62 OE1 GLN A 30 12.890 16.622 -0.909 1.00 0.00 O ATOM 63 NE2 GLN A 30 14.023 15.915 0.817 1.00 0.00 N ATOM 0 H GLN A 30 16.091 12.449 -0.422 1.00 0.00 H new ATOM 0 HA GLN A 30 13.834 12.205 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 30 14.067 14.267 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.628 13.327 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.529 14.390 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.672 13.733 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.275 15.149 1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.423 16.842 0.959 1.00 0.00 H new ATOM 72 N ALA A 31 12.299 10.651 -1.297 1.00 0.00 N ATOM 73 CA ALA A 31 11.694 9.425 -1.915 1.00 0.00 C ATOM 74 C ALA A 31 12.656 8.235 -1.797 1.00 0.00 C ATOM 75 O ALA A 31 13.210 7.765 -2.777 1.00 0.00 O ATOM 76 CB ALA A 31 11.439 9.789 -3.381 1.00 0.00 C ATOM 0 H ALA A 31 11.717 11.105 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 31 10.772 9.127 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.996 8.936 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.757 10.638 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.382 10.052 -3.860 1.00 0.00 H new ATOM 82 N LEU A 32 12.858 7.752 -0.597 1.00 0.00 N ATOM 83 CA LEU A 32 13.781 6.598 -0.387 1.00 0.00 C ATOM 84 C LEU A 32 13.352 5.796 0.851 1.00 0.00 C ATOM 85 O LEU A 32 13.890 5.966 1.930 1.00 0.00 O ATOM 86 CB LEU A 32 15.161 7.229 -0.178 1.00 0.00 C ATOM 87 CG LEU A 32 16.240 6.275 -0.691 1.00 0.00 C ATOM 88 CD1 LEU A 32 17.475 7.075 -1.111 1.00 0.00 C ATOM 89 CD2 LEU A 32 16.623 5.292 0.420 1.00 0.00 C ATOM 0 H LEU A 32 12.420 8.111 0.251 1.00 0.00 H new ATOM 0 HA LEU A 32 13.778 5.903 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.221 8.181 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.320 7.440 0.879 1.00 0.00 H new ATOM 0 HG LEU A 32 15.856 5.723 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.243 6.393 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.204 7.774 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.859 7.628 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.392 4.612 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.005 5.844 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.745 4.720 0.718 1.00 0.00 H new ATOM 101 N SER A 33 12.385 4.927 0.696 1.00 0.00 N ATOM 102 CA SER A 33 11.907 4.105 1.852 1.00 0.00 C ATOM 103 C SER A 33 10.900 3.056 1.374 1.00 0.00 C ATOM 104 O SER A 33 10.258 3.218 0.351 1.00 0.00 O ATOM 105 CB SER A 33 11.238 5.099 2.807 1.00 0.00 C ATOM 106 OG SER A 33 10.254 4.432 3.590 1.00 0.00 O ATOM 0 H SER A 33 11.903 4.750 -0.185 1.00 0.00 H new ATOM 0 HA SER A 33 12.721 3.566 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.987 5.552 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.777 5.908 2.240 1.00 0.00 H new ATOM 0 HG SER A 33 9.831 5.073 4.199 1.00 0.00 H new ATOM 112 N TYR A 34 10.752 1.985 2.112 1.00 0.00 N ATOM 113 CA TYR A 34 9.777 0.926 1.709 1.00 0.00 C ATOM 114 C TYR A 34 8.346 1.471 1.801 1.00 0.00 C ATOM 115 O TYR A 34 7.501 1.151 0.987 1.00 0.00 O ATOM 116 CB TYR A 34 9.989 -0.229 2.695 1.00 0.00 C ATOM 117 CG TYR A 34 9.004 -1.336 2.396 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.249 -2.225 1.343 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.842 -1.467 3.167 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.334 -3.246 1.061 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.928 -2.487 2.885 1.00 0.00 C ATOM 122 CZ TYR A 34 7.172 -3.377 1.832 1.00 0.00 C ATOM 123 OH TYR A 34 6.264 -4.379 1.551 1.00 0.00 O ATOM 0 H TYR A 34 11.263 1.798 2.975 1.00 0.00 H new ATOM 0 HA TYR A 34 9.927 0.598 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.009 -0.605 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.857 0.123 3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.144 -2.123 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.652 -0.781 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.524 -3.933 0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.033 -2.588 3.480 1.00 0.00 H new ATOM 0 HH TYR A 34 5.796 -4.636 2.373 1.00 0.00 H new ATOM 133 N ARG A 35 8.076 2.305 2.776 1.00 0.00 N ATOM 134 CA ARG A 35 6.706 2.886 2.910 1.00 0.00 C ATOM 135 C ARG A 35 6.435 3.856 1.752 1.00 0.00 C ATOM 136 O ARG A 35 5.333 3.929 1.241 1.00 0.00 O ATOM 137 CB ARG A 35 6.711 3.628 4.250 1.00 0.00 C ATOM 138 CG ARG A 35 5.272 3.814 4.741 1.00 0.00 C ATOM 139 CD ARG A 35 4.902 2.670 5.690 1.00 0.00 C ATOM 140 NE ARG A 35 3.456 2.875 5.997 1.00 0.00 N ATOM 141 CZ ARG A 35 2.597 1.914 5.784 1.00 0.00 C ATOM 142 NH1 ARG A 35 2.071 1.759 4.596 1.00 0.00 N ATOM 143 NH2 ARG A 35 2.266 1.107 6.761 1.00 0.00 N ATOM 0 H ARG A 35 8.745 2.607 3.484 1.00 0.00 H new ATOM 0 HA ARG A 35 5.927 2.124 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.287 3.067 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.196 4.598 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.172 4.771 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.587 3.833 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.073 1.700 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.506 2.699 6.597 1.00 0.00 H new ATOM 0 HE ARG A 35 3.138 3.768 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.332 2.388 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.400 1.009 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.679 1.230 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.596 0.356 6.597 1.00 0.00 H new ATOM 157 N GLU A 36 7.440 4.587 1.327 1.00 0.00 N ATOM 158 CA GLU A 36 7.252 5.541 0.191 1.00 0.00 C ATOM 159 C GLU A 36 7.027 4.764 -1.108 1.00 0.00 C ATOM 160 O GLU A 36 6.231 5.153 -1.941 1.00 0.00 O ATOM 161 CB GLU A 36 8.551 6.355 0.123 1.00 0.00 C ATOM 162 CG GLU A 36 8.296 7.679 -0.605 1.00 0.00 C ATOM 163 CD GLU A 36 7.796 8.730 0.392 1.00 0.00 C ATOM 164 OE1 GLU A 36 6.594 8.799 0.598 1.00 0.00 O ATOM 165 OE2 GLU A 36 8.623 9.447 0.932 1.00 0.00 O ATOM 0 H GLU A 36 8.381 4.563 1.719 1.00 0.00 H new ATOM 0 HA GLU A 36 6.385 6.187 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.923 6.548 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.321 5.786 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.213 8.025 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.559 7.534 -1.395 1.00 0.00 H new ATOM 172 N ALA A 37 7.714 3.659 -1.279 1.00 0.00 N ATOM 173 CA ALA A 37 7.532 2.841 -2.517 1.00 0.00 C ATOM 174 C ALA A 37 6.116 2.254 -2.547 1.00 0.00 C ATOM 175 O ALA A 37 5.473 2.221 -3.579 1.00 0.00 O ATOM 176 CB ALA A 37 8.578 1.726 -2.427 1.00 0.00 C ATOM 0 H ALA A 37 8.393 3.290 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 37 7.656 3.431 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.503 1.085 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.575 2.165 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.402 1.134 -1.529 1.00 0.00 H new ATOM 182 N VAL A 38 5.622 1.807 -1.417 1.00 0.00 N ATOM 183 CA VAL A 38 4.240 1.235 -1.369 1.00 0.00 C ATOM 184 C VAL A 38 3.216 2.341 -1.640 1.00 0.00 C ATOM 185 O VAL A 38 2.215 2.122 -2.295 1.00 0.00 O ATOM 186 CB VAL A 38 4.073 0.678 0.052 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.675 0.075 0.210 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.120 -0.410 0.306 1.00 0.00 C ATOM 0 H VAL A 38 6.117 1.814 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 38 4.087 0.459 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 38 4.205 1.488 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.561 -0.319 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.924 0.846 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.543 -0.731 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.999 -0.803 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.989 -1.216 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.119 0.014 0.199 1.00 0.00 H new ATOM 198 N LEU A 39 3.470 3.530 -1.152 1.00 0.00 N ATOM 199 CA LEU A 39 2.530 4.666 -1.387 1.00 0.00 C ATOM 200 C LEU A 39 2.404 4.932 -2.892 1.00 0.00 C ATOM 201 O LEU A 39 1.319 5.122 -3.410 1.00 0.00 O ATOM 202 CB LEU A 39 3.173 5.860 -0.672 1.00 0.00 C ATOM 203 CG LEU A 39 2.172 7.013 -0.575 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.232 7.621 0.829 1.00 0.00 C ATOM 205 CD2 LEU A 39 2.528 8.085 -1.608 1.00 0.00 C ATOM 0 H LEU A 39 4.294 3.762 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 39 1.525 4.467 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.498 5.565 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.062 6.184 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 39 1.166 6.640 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.520 8.443 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.982 6.859 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.238 7.995 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.815 8.907 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.533 8.459 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.489 7.654 -2.608 1.00 0.00 H new ATOM 217 N ARG A 40 3.507 4.926 -3.599 1.00 0.00 N ATOM 218 CA ARG A 40 3.454 5.159 -5.073 1.00 0.00 C ATOM 219 C ARG A 40 2.931 3.901 -5.777 1.00 0.00 C ATOM 220 O ARG A 40 2.185 3.981 -6.733 1.00 0.00 O ATOM 221 CB ARG A 40 4.898 5.453 -5.494 1.00 0.00 C ATOM 222 CG ARG A 40 5.228 6.921 -5.212 1.00 0.00 C ATOM 223 CD ARG A 40 4.550 7.815 -6.257 1.00 0.00 C ATOM 224 NE ARG A 40 4.538 9.175 -5.649 1.00 0.00 N ATOM 225 CZ ARG A 40 5.213 10.150 -6.202 1.00 0.00 C ATOM 226 NH1 ARG A 40 6.513 10.057 -6.325 1.00 0.00 N ATOM 227 NH2 ARG A 40 4.588 11.214 -6.633 1.00 0.00 N ATOM 0 H ARG A 40 4.440 4.770 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 40 2.788 5.980 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.585 4.805 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.029 5.238 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.890 7.194 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.307 7.072 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.099 7.808 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.539 7.471 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 40 4.002 9.347 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.999 9.225 -5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.040 10.816 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.575 11.284 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.113 11.975 -7.064 1.00 0.00 H new ATOM 241 N ALA A 41 3.314 2.742 -5.298 1.00 0.00 N ATOM 242 CA ALA A 41 2.838 1.471 -5.922 1.00 0.00 C ATOM 243 C ALA A 41 1.332 1.300 -5.696 1.00 0.00 C ATOM 244 O ALA A 41 0.627 0.810 -6.554 1.00 0.00 O ATOM 245 CB ALA A 41 3.615 0.357 -5.215 1.00 0.00 C ATOM 0 H ALA A 41 3.937 2.623 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 41 3.002 1.459 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.317 -0.609 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.684 0.503 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.398 0.383 -4.147 1.00 0.00 H new ATOM 251 N VAL A 42 0.832 1.707 -4.551 1.00 0.00 N ATOM 252 CA VAL A 42 -0.631 1.570 -4.279 1.00 0.00 C ATOM 253 C VAL A 42 -1.429 2.472 -5.233 1.00 0.00 C ATOM 254 O VAL A 42 -2.435 2.062 -5.782 1.00 0.00 O ATOM 255 CB VAL A 42 -0.812 2.000 -2.813 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.259 2.444 -2.561 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.487 0.819 -1.896 1.00 0.00 C ATOM 0 H VAL A 42 1.375 2.127 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.993 0.554 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.141 2.834 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.371 2.745 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.500 3.286 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.936 1.617 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.614 1.120 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.159 -0.010 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.544 0.505 -2.059 1.00 0.00 H new ATOM 267 N ASP A 43 -0.984 3.688 -5.446 1.00 0.00 N ATOM 268 CA ASP A 43 -1.719 4.594 -6.378 1.00 0.00 C ATOM 269 C ASP A 43 -1.533 4.116 -7.821 1.00 0.00 C ATOM 270 O ASP A 43 -2.451 4.153 -8.618 1.00 0.00 O ATOM 271 CB ASP A 43 -1.104 5.983 -6.175 1.00 0.00 C ATOM 272 CG ASP A 43 -2.223 7.006 -5.956 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.883 6.924 -4.930 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.401 7.852 -6.815 1.00 0.00 O ATOM 0 H ASP A 43 -0.149 4.088 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.791 4.607 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.431 5.974 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.508 6.260 -7.044 1.00 0.00 H new ATOM 279 N ARG A 44 -0.355 3.642 -8.158 1.00 0.00 N ATOM 280 CA ARG A 44 -0.119 3.135 -9.545 1.00 0.00 C ATOM 281 C ARG A 44 -0.895 1.831 -9.748 1.00 0.00 C ATOM 282 O ARG A 44 -1.402 1.562 -10.820 1.00 0.00 O ATOM 283 CB ARG A 44 1.390 2.887 -9.643 1.00 0.00 C ATOM 284 CG ARG A 44 2.056 4.063 -10.363 1.00 0.00 C ATOM 285 CD ARG A 44 3.428 4.337 -9.740 1.00 0.00 C ATOM 286 NE ARG A 44 3.592 5.817 -9.804 1.00 0.00 N ATOM 287 CZ ARG A 44 4.512 6.339 -10.569 1.00 0.00 C ATOM 288 NH1 ARG A 44 4.397 6.268 -11.870 1.00 0.00 N ATOM 289 NH2 ARG A 44 5.551 6.925 -10.031 1.00 0.00 N ATOM 0 H ARG A 44 0.449 3.585 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.453 3.839 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.815 2.769 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.582 1.960 -10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.166 3.838 -11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.428 4.951 -10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.473 3.979 -8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.220 3.828 -10.290 1.00 0.00 H new ATOM 0 HE ARG A 44 2.986 6.422 -9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.589 5.805 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.115 6.676 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.641 6.973 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.271 7.334 -10.627 1.00 0.00 H new ATOM 303 N LEU A 45 -0.997 1.026 -8.716 1.00 0.00 N ATOM 304 CA LEU A 45 -1.748 -0.261 -8.820 1.00 0.00 C ATOM 305 C LEU A 45 -3.225 0.013 -9.122 1.00 0.00 C ATOM 306 O LEU A 45 -3.842 -0.672 -9.917 1.00 0.00 O ATOM 307 CB LEU A 45 -1.590 -0.914 -7.440 1.00 0.00 C ATOM 308 CG LEU A 45 -2.448 -2.179 -7.348 1.00 0.00 C ATOM 309 CD1 LEU A 45 -1.758 -3.190 -6.433 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.822 -1.828 -6.765 1.00 0.00 C ATOM 0 H LEU A 45 -0.588 1.210 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.376 -0.900 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.543 -1.163 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.884 -0.210 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.573 -2.605 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.365 -4.092 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.779 -3.442 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.637 -2.758 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.431 -2.730 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.697 -1.403 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.316 -1.102 -7.410 1.00 0.00 H new ATOM 322 N ASN A 46 -3.794 1.008 -8.490 1.00 0.00 N ATOM 323 CA ASN A 46 -5.232 1.327 -8.731 1.00 0.00 C ATOM 324 C ASN A 46 -5.433 1.863 -10.157 1.00 0.00 C ATOM 325 O ASN A 46 -6.391 1.522 -10.819 1.00 0.00 O ATOM 326 CB ASN A 46 -5.603 2.380 -7.662 1.00 0.00 C ATOM 327 CG ASN A 46 -5.908 3.740 -8.306 1.00 0.00 C ATOM 328 OD1 ASN A 46 -7.015 3.900 -8.977 1.00 0.00 O flip ATOM 329 ND2 ASN A 46 -5.130 4.666 -8.195 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.324 1.613 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.871 0.447 -8.650 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.471 2.039 -7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.783 2.486 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.263 4.544 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.343 5.566 -8.626 1.00 0.00 H new ATOM 336 N GLU A 47 -4.544 2.701 -10.625 1.00 0.00 N ATOM 337 CA GLU A 47 -4.693 3.267 -12.001 1.00 0.00 C ATOM 338 C GLU A 47 -4.385 2.210 -13.072 1.00 0.00 C ATOM 339 O GLU A 47 -5.009 2.180 -14.115 1.00 0.00 O ATOM 340 CB GLU A 47 -3.679 4.412 -12.074 1.00 0.00 C ATOM 341 CG GLU A 47 -4.269 5.564 -12.892 1.00 0.00 C ATOM 342 CD GLU A 47 -4.186 5.235 -14.385 1.00 0.00 C ATOM 343 OE1 GLU A 47 -3.079 5.149 -14.894 1.00 0.00 O ATOM 344 OE2 GLU A 47 -5.230 5.076 -14.996 1.00 0.00 O ATOM 0 H GLU A 47 -3.720 3.018 -10.114 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.713 3.605 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.429 4.755 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.753 4.064 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.307 5.732 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.727 6.486 -12.683 1.00 0.00 H new ATOM 351 N GLN A 48 -3.425 1.349 -12.829 1.00 0.00 N ATOM 352 CA GLN A 48 -3.076 0.306 -13.848 1.00 0.00 C ATOM 353 C GLN A 48 -4.181 -0.754 -13.966 1.00 0.00 C ATOM 354 O GLN A 48 -4.343 -1.371 -15.001 1.00 0.00 O ATOM 355 CB GLN A 48 -1.770 -0.328 -13.360 1.00 0.00 C ATOM 356 CG GLN A 48 -0.664 -0.050 -14.380 1.00 0.00 C ATOM 357 CD GLN A 48 0.711 -0.195 -13.718 1.00 0.00 C ATOM 358 OE1 GLN A 48 1.415 -1.158 -13.957 1.00 0.00 O ATOM 359 NE2 GLN A 48 1.131 0.727 -12.891 1.00 0.00 N ATOM 0 H GLN A 48 -2.870 1.323 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.969 0.746 -14.840 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.495 0.080 -12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.900 -1.402 -13.230 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.748 -0.743 -15.217 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.777 0.955 -14.786 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.544 1.536 -12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.046 0.637 -12.449 1.00 0.00 H new ATOM 368 N SER A 49 -4.942 -0.974 -12.923 1.00 0.00 N ATOM 369 CA SER A 49 -6.029 -1.996 -12.993 1.00 0.00 C ATOM 370 C SER A 49 -7.239 -1.439 -13.752 1.00 0.00 C ATOM 371 O SER A 49 -7.356 -0.246 -13.970 1.00 0.00 O ATOM 372 CB SER A 49 -6.397 -2.300 -11.539 1.00 0.00 C ATOM 373 OG SER A 49 -7.284 -3.412 -11.499 1.00 0.00 O ATOM 0 H SER A 49 -4.857 -0.491 -12.029 1.00 0.00 H new ATOM 0 HA SER A 49 -5.710 -2.893 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.498 -2.517 -10.962 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.867 -1.429 -11.081 1.00 0.00 H new ATOM 0 HG SER A 49 -7.519 -3.609 -10.568 1.00 0.00 H new ATOM 379 N SER A 50 -8.142 -2.300 -14.141 1.00 0.00 N ATOM 380 CA SER A 50 -9.360 -1.852 -14.881 1.00 0.00 C ATOM 381 C SER A 50 -10.617 -2.361 -14.164 1.00 0.00 C ATOM 382 O SER A 50 -11.521 -2.904 -14.772 1.00 0.00 O ATOM 383 CB SER A 50 -9.235 -2.478 -16.273 1.00 0.00 C ATOM 384 OG SER A 50 -8.019 -2.051 -16.873 1.00 0.00 O ATOM 0 H SER A 50 -8.088 -3.305 -13.976 1.00 0.00 H new ATOM 0 HA SER A 50 -9.441 -0.766 -14.937 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.255 -3.565 -16.198 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.082 -2.185 -16.893 1.00 0.00 H new ATOM 0 HG SER A 50 -7.935 -2.451 -17.764 1.00 0.00 H new ATOM 390 N GLU A 51 -10.670 -2.192 -12.869 1.00 0.00 N ATOM 391 CA GLU A 51 -11.851 -2.666 -12.086 1.00 0.00 C ATOM 392 C GLU A 51 -12.896 -1.551 -11.905 1.00 0.00 C ATOM 393 O GLU A 51 -13.997 -1.802 -11.450 1.00 0.00 O ATOM 394 CB GLU A 51 -11.271 -3.064 -10.732 1.00 0.00 C ATOM 395 CG GLU A 51 -12.077 -4.224 -10.141 1.00 0.00 C ATOM 396 CD GLU A 51 -11.797 -4.334 -8.641 1.00 0.00 C ATOM 397 OE1 GLU A 51 -10.632 -4.396 -8.273 1.00 0.00 O ATOM 398 OE2 GLU A 51 -12.751 -4.357 -7.882 1.00 0.00 O ATOM 0 H GLU A 51 -9.941 -1.743 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.366 -3.484 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.227 -3.356 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.292 -2.212 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.142 -4.064 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.811 -5.156 -10.640 1.00 0.00 H new ATOM 405 N ALA A 52 -12.555 -0.326 -12.243 1.00 0.00 N ATOM 406 CA ALA A 52 -13.514 0.824 -12.084 1.00 0.00 C ATOM 407 C ALA A 52 -13.809 1.075 -10.597 1.00 0.00 C ATOM 408 O ALA A 52 -14.899 1.471 -10.226 1.00 0.00 O ATOM 409 CB ALA A 52 -14.789 0.415 -12.833 1.00 0.00 C ATOM 0 H ALA A 52 -11.645 -0.070 -12.626 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.101 1.750 -12.484 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.528 1.212 -12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.554 0.240 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.192 -0.498 -12.394 1.00 0.00 H new ATOM 415 N ASN A 53 -12.836 0.854 -9.746 1.00 0.00 N ATOM 416 CA ASN A 53 -13.034 1.079 -8.284 1.00 0.00 C ATOM 417 C ASN A 53 -11.694 1.412 -7.621 1.00 0.00 C ATOM 418 O ASN A 53 -10.651 0.956 -8.054 1.00 0.00 O ATOM 419 CB ASN A 53 -13.580 -0.246 -7.744 1.00 0.00 C ATOM 420 CG ASN A 53 -14.472 0.020 -6.528 1.00 0.00 C ATOM 421 OD1 ASN A 53 -14.169 0.862 -5.705 1.00 0.00 O ATOM 422 ND2 ASN A 53 -15.570 -0.668 -6.377 1.00 0.00 N ATOM 0 H ASN A 53 -11.906 0.525 -10.006 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.711 1.909 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.149 -0.759 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.756 -0.903 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.171 -0.499 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.827 -1.375 -7.065 1.00 0.00 H new ATOM 429 N LEU A 54 -11.710 2.198 -6.576 1.00 0.00 N ATOM 430 CA LEU A 54 -10.429 2.546 -5.895 1.00 0.00 C ATOM 431 C LEU A 54 -10.129 1.544 -4.775 1.00 0.00 C ATOM 432 O LEU A 54 -11.020 1.066 -4.097 1.00 0.00 O ATOM 433 CB LEU A 54 -10.630 3.956 -5.325 1.00 0.00 C ATOM 434 CG LEU A 54 -10.081 4.997 -6.309 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.087 6.377 -5.653 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.645 4.638 -6.697 1.00 0.00 C ATOM 0 H LEU A 54 -12.548 2.611 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.584 2.512 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.689 4.137 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.122 4.046 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.709 5.008 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.697 7.115 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.107 6.644 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.462 6.358 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.260 5.381 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.020 4.622 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.630 3.655 -7.168 1.00 0.00 H new ATOM 448 N TYR A 55 -8.872 1.230 -4.584 1.00 0.00 N ATOM 449 CA TYR A 55 -8.481 0.265 -3.515 1.00 0.00 C ATOM 450 C TYR A 55 -7.329 0.844 -2.688 1.00 0.00 C ATOM 451 O TYR A 55 -6.167 0.609 -2.970 1.00 0.00 O ATOM 452 CB TYR A 55 -8.032 -1.001 -4.250 1.00 0.00 C ATOM 453 CG TYR A 55 -9.221 -1.899 -4.485 1.00 0.00 C ATOM 454 CD1 TYR A 55 -10.022 -1.712 -5.617 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.522 -2.918 -3.574 1.00 0.00 C ATOM 456 CE1 TYR A 55 -11.124 -2.543 -5.836 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.625 -3.750 -3.795 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.427 -3.562 -4.927 1.00 0.00 C ATOM 459 OH TYR A 55 -12.514 -4.384 -5.148 1.00 0.00 O ATOM 0 H TYR A 55 -8.095 1.605 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.301 0.058 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.570 -0.737 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.278 -1.526 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.789 -0.926 -6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.903 -3.062 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.743 -2.398 -6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.858 -4.537 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.609 -4.549 -6.109 1.00 0.00 H new ATOM 469 N ARG A 56 -7.648 1.598 -1.669 1.00 0.00 N ATOM 470 CA ARG A 56 -6.584 2.194 -0.808 1.00 0.00 C ATOM 471 C ARG A 56 -5.888 1.084 -0.015 1.00 0.00 C ATOM 472 O ARG A 56 -6.483 0.066 0.298 1.00 0.00 O ATOM 473 CB ARG A 56 -7.322 3.152 0.137 1.00 0.00 C ATOM 474 CG ARG A 56 -6.309 3.988 0.925 1.00 0.00 C ATOM 475 CD ARG A 56 -6.905 4.369 2.285 1.00 0.00 C ATOM 476 NE ARG A 56 -6.747 5.849 2.377 1.00 0.00 N ATOM 477 CZ ARG A 56 -5.821 6.370 3.143 1.00 0.00 C ATOM 478 NH1 ARG A 56 -4.613 5.863 3.150 1.00 0.00 N ATOM 479 NH2 ARG A 56 -6.105 7.400 3.896 1.00 0.00 N ATOM 0 H ARG A 56 -8.603 1.828 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.818 2.712 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.980 3.806 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.952 2.586 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.387 3.423 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.050 4.887 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.954 4.080 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.384 3.865 3.099 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.364 6.459 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.393 5.062 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.893 6.270 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.045 7.795 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.386 7.808 4.494 1.00 0.00 H new ATOM 493 N LEU A 57 -4.634 1.267 0.311 1.00 0.00 N ATOM 494 CA LEU A 57 -3.907 0.219 1.084 1.00 0.00 C ATOM 495 C LEU A 57 -4.496 0.094 2.489 1.00 0.00 C ATOM 496 O LEU A 57 -4.548 1.050 3.242 1.00 0.00 O ATOM 497 CB LEU A 57 -2.452 0.691 1.153 1.00 0.00 C ATOM 498 CG LEU A 57 -1.592 -0.396 1.809 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.215 -0.429 1.147 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.430 -0.093 3.301 1.00 0.00 C ATOM 0 H LEU A 57 -4.085 2.094 0.076 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.989 -0.761 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.081 0.908 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.386 1.617 1.725 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.079 -1.363 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.395 -1.202 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.327 -0.648 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.271 0.539 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.819 -0.867 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.945 0.875 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.411 -0.072 3.777 1.00 0.00 H new ATOM 512 N LEU A 58 -4.922 -1.086 2.843 1.00 0.00 N ATOM 513 CA LEU A 58 -5.493 -1.311 4.197 1.00 0.00 C ATOM 514 C LEU A 58 -4.353 -1.613 5.174 1.00 0.00 C ATOM 515 O LEU A 58 -4.266 -1.035 6.240 1.00 0.00 O ATOM 516 CB LEU A 58 -6.419 -2.518 4.040 1.00 0.00 C ATOM 517 CG LEU A 58 -7.321 -2.626 5.265 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.304 -1.451 5.279 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.100 -3.943 5.213 1.00 0.00 C ATOM 0 H LEU A 58 -4.898 -1.912 2.245 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.034 -0.448 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.022 -2.413 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.831 -3.429 3.926 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.711 -2.602 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.949 -1.527 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.750 -0.513 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.913 -1.476 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.744 -4.019 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.710 -3.969 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.401 -4.779 5.203 1.00 0.00 H new ATOM 531 N GLU A 59 -3.468 -2.505 4.800 1.00 0.00 N ATOM 532 CA GLU A 59 -2.312 -2.840 5.684 1.00 0.00 C ATOM 533 C GLU A 59 -1.079 -3.188 4.841 1.00 0.00 C ATOM 534 O GLU A 59 -1.190 -3.690 3.737 1.00 0.00 O ATOM 535 CB GLU A 59 -2.759 -4.043 6.519 1.00 0.00 C ATOM 536 CG GLU A 59 -2.826 -3.639 7.998 1.00 0.00 C ATOM 537 CD GLU A 59 -1.411 -3.559 8.585 1.00 0.00 C ATOM 538 OE1 GLU A 59 -0.670 -2.671 8.191 1.00 0.00 O ATOM 539 OE2 GLU A 59 -1.094 -4.385 9.424 1.00 0.00 O ATOM 0 H GLU A 59 -3.498 -3.016 3.918 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.033 -2.000 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.735 -4.392 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.062 -4.870 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.325 -2.675 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.419 -4.364 8.555 1.00 0.00 H new ATOM 546 N LEU A 60 0.094 -2.915 5.356 1.00 0.00 N ATOM 547 CA LEU A 60 1.347 -3.211 4.599 1.00 0.00 C ATOM 548 C LEU A 60 2.075 -4.411 5.217 1.00 0.00 C ATOM 549 O LEU A 60 2.082 -4.600 6.420 1.00 0.00 O ATOM 550 CB LEU A 60 2.189 -1.938 4.731 1.00 0.00 C ATOM 551 CG LEU A 60 3.567 -2.142 4.092 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.437 -2.131 2.567 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.499 -1.009 4.533 1.00 0.00 C ATOM 0 H LEU A 60 0.237 -2.497 6.275 1.00 0.00 H new ATOM 0 HA LEU A 60 1.153 -3.469 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.678 -1.104 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.304 -1.677 5.783 1.00 0.00 H new ATOM 0 HG LEU A 60 3.976 -3.101 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.419 -2.276 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.771 -2.935 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.028 -1.174 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.481 -1.149 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.086 -0.052 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.594 -1.018 5.619 1.00 0.00 H new ATOM 565 N ASP A 61 2.685 -5.217 4.390 1.00 0.00 N ATOM 566 CA ASP A 61 3.418 -6.418 4.893 1.00 0.00 C ATOM 567 C ASP A 61 4.922 -6.131 5.001 1.00 0.00 C ATOM 568 O ASP A 61 5.419 -5.160 4.460 1.00 0.00 O ATOM 569 CB ASP A 61 3.157 -7.499 3.839 1.00 0.00 C ATOM 570 CG ASP A 61 3.580 -8.866 4.382 1.00 0.00 C ATOM 571 OD1 ASP A 61 2.920 -9.354 5.285 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.558 -9.401 3.887 1.00 0.00 O ATOM 0 H ASP A 61 2.708 -5.095 3.378 1.00 0.00 H new ATOM 0 HA ASP A 61 3.086 -6.715 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.100 -7.514 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.710 -7.272 2.928 1.00 0.00 H new ATOM 577 N GLN A 62 5.646 -6.980 5.689 1.00 0.00 N ATOM 578 CA GLN A 62 7.120 -6.780 5.831 1.00 0.00 C ATOM 579 C GLN A 62 7.864 -7.934 5.136 1.00 0.00 C ATOM 580 O GLN A 62 8.257 -8.896 5.769 1.00 0.00 O ATOM 581 CB GLN A 62 7.380 -6.777 7.340 1.00 0.00 C ATOM 582 CG GLN A 62 8.708 -6.070 7.629 1.00 0.00 C ATOM 583 CD GLN A 62 9.594 -6.971 8.495 1.00 0.00 C ATOM 584 OE1 GLN A 62 10.019 -6.576 9.563 1.00 0.00 O ATOM 585 NE2 GLN A 62 9.890 -8.173 8.082 1.00 0.00 N ATOM 0 H GLN A 62 5.277 -7.806 6.160 1.00 0.00 H new ATOM 0 HA GLN A 62 7.469 -5.856 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.566 -6.271 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.411 -7.799 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.216 -5.834 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.524 -5.125 8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.534 -8.506 7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.477 -8.779 8.655 1.00 0.00 H new ATOM 594 N PRO A 63 8.013 -7.797 3.840 1.00 0.00 N ATOM 595 CA PRO A 63 8.694 -8.836 3.022 1.00 0.00 C ATOM 596 C PRO A 63 10.222 -8.795 3.210 1.00 0.00 C ATOM 597 O PRO A 63 10.745 -7.915 3.871 1.00 0.00 O ATOM 598 CB PRO A 63 8.316 -8.457 1.591 1.00 0.00 C ATOM 599 CG PRO A 63 8.023 -6.991 1.638 1.00 0.00 C ATOM 600 CD PRO A 63 7.560 -6.665 3.027 1.00 0.00 C ATOM 0 HA PRO A 63 8.396 -9.848 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.129 -8.674 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.448 -9.021 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.913 -6.414 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.257 -6.730 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.989 -5.727 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.476 -6.555 3.069 1.00 0.00 H new ATOM 608 N PRO A 64 10.888 -9.760 2.614 1.00 0.00 N ATOM 609 CA PRO A 64 12.373 -9.849 2.708 1.00 0.00 C ATOM 610 C PRO A 64 13.046 -8.723 1.911 1.00 0.00 C ATOM 611 O PRO A 64 12.559 -8.309 0.877 1.00 0.00 O ATOM 612 CB PRO A 64 12.690 -11.212 2.092 1.00 0.00 C ATOM 613 CG PRO A 64 11.537 -11.504 1.188 1.00 0.00 C ATOM 614 CD PRO A 64 10.328 -10.850 1.801 1.00 0.00 C ATOM 0 HA PRO A 64 12.737 -9.747 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.629 -11.187 1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.793 -11.978 2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.722 -11.114 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.386 -12.579 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.649 -10.470 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.760 -11.552 2.411 1.00 0.00 H new ATOM 622 N LYS A 65 14.169 -8.237 2.391 1.00 0.00 N ATOM 623 CA LYS A 65 14.908 -7.137 1.684 1.00 0.00 C ATOM 624 C LYS A 65 13.975 -5.957 1.385 1.00 0.00 C ATOM 625 O LYS A 65 13.625 -5.697 0.248 1.00 0.00 O ATOM 626 CB LYS A 65 15.433 -7.762 0.383 1.00 0.00 C ATOM 627 CG LYS A 65 16.320 -8.972 0.698 1.00 0.00 C ATOM 628 CD LYS A 65 17.508 -8.536 1.562 1.00 0.00 C ATOM 629 CE LYS A 65 18.305 -9.772 1.999 1.00 0.00 C ATOM 630 NZ LYS A 65 17.565 -10.336 3.171 1.00 0.00 N ATOM 0 H LYS A 65 14.610 -8.559 3.252 1.00 0.00 H new ATOM 0 HA LYS A 65 15.719 -6.741 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.597 -8.069 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.001 -7.022 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.740 -9.733 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.678 -9.422 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.149 -7.857 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.154 -7.991 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.373 -10.500 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.325 -9.504 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.144 -10.233 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.669 -9.824 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.368 -11.344 3.005 1.00 0.00 H new ATOM 644 N ALA A 66 13.575 -5.241 2.402 1.00 0.00 N ATOM 645 CA ALA A 66 12.668 -4.072 2.192 1.00 0.00 C ATOM 646 C ALA A 66 13.431 -2.755 2.374 1.00 0.00 C ATOM 647 O ALA A 66 13.156 -1.777 1.705 1.00 0.00 O ATOM 648 CB ALA A 66 11.578 -4.217 3.257 1.00 0.00 C ATOM 0 H ALA A 66 13.837 -5.415 3.372 1.00 0.00 H new ATOM 0 HA ALA A 66 12.254 -4.053 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.870 -3.393 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.054 -5.162 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.033 -4.199 4.248 1.00 0.00 H new ATOM 654 N ASP A 67 14.383 -2.720 3.276 1.00 0.00 N ATOM 655 CA ASP A 67 15.159 -1.465 3.507 1.00 0.00 C ATOM 656 C ASP A 67 16.660 -1.697 3.266 1.00 0.00 C ATOM 657 O ASP A 67 17.497 -1.051 3.866 1.00 0.00 O ATOM 658 CB ASP A 67 14.892 -1.108 4.973 1.00 0.00 C ATOM 659 CG ASP A 67 13.459 -0.583 5.130 1.00 0.00 C ATOM 660 OD1 ASP A 67 12.543 -1.389 5.090 1.00 0.00 O ATOM 661 OD2 ASP A 67 13.304 0.615 5.291 1.00 0.00 O ATOM 0 H ASP A 67 14.655 -3.509 3.862 1.00 0.00 H new ATOM 0 HA ASP A 67 14.862 -0.666 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.038 -1.986 5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.604 -0.354 5.308 1.00 0.00 H new ATOM 666 N GLU A 68 17.001 -2.608 2.388 1.00 0.00 N ATOM 667 CA GLU A 68 18.443 -2.884 2.103 1.00 0.00 C ATOM 668 C GLU A 68 18.710 -2.801 0.596 1.00 0.00 C ATOM 669 O GLU A 68 17.966 -3.347 -0.198 1.00 0.00 O ATOM 670 CB GLU A 68 18.686 -4.310 2.611 1.00 0.00 C ATOM 671 CG GLU A 68 19.557 -4.270 3.872 1.00 0.00 C ATOM 672 CD GLU A 68 18.681 -3.996 5.099 1.00 0.00 C ATOM 673 OE1 GLU A 68 17.903 -4.866 5.456 1.00 0.00 O ATOM 674 OE2 GLU A 68 18.802 -2.920 5.659 1.00 0.00 O ATOM 0 H GLU A 68 16.341 -3.174 1.855 1.00 0.00 H new ATOM 0 HA GLU A 68 19.102 -2.162 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.735 -4.795 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.176 -4.903 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.082 -5.218 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.317 -3.495 3.776 1.00 0.00 H new ATOM 681 N ASP A 69 19.771 -2.124 0.203 1.00 0.00 N ATOM 682 CA ASP A 69 20.114 -1.992 -1.254 1.00 0.00 C ATOM 683 C ASP A 69 18.939 -1.350 -2.017 1.00 0.00 C ATOM 684 O ASP A 69 18.080 -2.043 -2.527 1.00 0.00 O ATOM 685 CB ASP A 69 20.390 -3.426 -1.735 1.00 0.00 C ATOM 686 CG ASP A 69 21.519 -4.042 -0.904 1.00 0.00 C ATOM 687 OD1 ASP A 69 22.649 -3.614 -1.066 1.00 0.00 O ATOM 688 OD2 ASP A 69 21.231 -4.932 -0.120 1.00 0.00 O ATOM 0 H ASP A 69 20.418 -1.654 0.836 1.00 0.00 H new ATOM 0 HA ASP A 69 20.977 -1.349 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.487 -4.030 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.664 -3.419 -2.790 1.00 0.00 H new ATOM 693 N PRO A 70 18.934 -0.035 -2.039 1.00 0.00 N ATOM 694 CA PRO A 70 17.839 0.738 -2.705 1.00 0.00 C ATOM 695 C PRO A 70 17.871 0.629 -4.242 1.00 0.00 C ATOM 696 O PRO A 70 16.838 0.499 -4.872 1.00 0.00 O ATOM 697 CB PRO A 70 18.102 2.176 -2.262 1.00 0.00 C ATOM 698 CG PRO A 70 19.560 2.226 -1.938 1.00 0.00 C ATOM 699 CD PRO A 70 19.947 0.854 -1.451 1.00 0.00 C ATOM 0 HA PRO A 70 16.855 0.361 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.850 2.884 -3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.497 2.438 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 70 20.142 2.502 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 70 19.760 2.978 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.951 0.584 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.940 0.801 -0.362 1.00 0.00 H new ATOM 707 N GLY A 71 19.034 0.701 -4.849 1.00 0.00 N ATOM 708 CA GLY A 71 19.118 0.620 -6.347 1.00 0.00 C ATOM 709 C GLY A 71 18.457 -0.669 -6.852 1.00 0.00 C ATOM 710 O GLY A 71 17.782 -0.676 -7.864 1.00 0.00 O ATOM 0 H GLY A 71 19.929 0.812 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.628 1.486 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.161 0.648 -6.661 1.00 0.00 H new ATOM 714 N THR A 72 18.658 -1.756 -6.156 1.00 0.00 N ATOM 715 CA THR A 72 18.057 -3.061 -6.576 1.00 0.00 C ATOM 716 C THR A 72 16.537 -3.059 -6.334 1.00 0.00 C ATOM 717 O THR A 72 16.012 -2.174 -5.683 1.00 0.00 O ATOM 718 CB THR A 72 18.740 -4.132 -5.702 1.00 0.00 C ATOM 719 OG1 THR A 72 19.452 -3.518 -4.635 1.00 0.00 O ATOM 720 CG2 THR A 72 19.711 -4.951 -6.559 1.00 0.00 C ATOM 0 H THR A 72 19.219 -1.798 -5.305 1.00 0.00 H new ATOM 0 HA THR A 72 18.208 -3.250 -7.639 1.00 0.00 H new ATOM 0 HB THR A 72 17.975 -4.787 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.817 -3.113 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.193 -5.708 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 72 19.163 -5.437 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 72 20.469 -4.291 -6.982 1.00 0.00 H new ATOM 728 N PRO A 73 15.878 -4.059 -6.875 1.00 0.00 N ATOM 729 CA PRO A 73 14.400 -4.178 -6.726 1.00 0.00 C ATOM 730 C PRO A 73 14.010 -4.490 -5.273 1.00 0.00 C ATOM 731 O PRO A 73 14.826 -4.898 -4.469 1.00 0.00 O ATOM 732 CB PRO A 73 14.039 -5.339 -7.650 1.00 0.00 C ATOM 733 CG PRO A 73 15.293 -6.142 -7.764 1.00 0.00 C ATOM 734 CD PRO A 73 16.434 -5.167 -7.667 1.00 0.00 C ATOM 0 HA PRO A 73 13.876 -3.256 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.225 -5.934 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.709 -4.980 -8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.350 -6.887 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.323 -6.682 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.301 -5.612 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.759 -4.832 -8.652 1.00 0.00 H new ATOM 742 N LYS A 74 12.761 -4.292 -4.942 1.00 0.00 N ATOM 743 CA LYS A 74 12.282 -4.563 -3.557 1.00 0.00 C ATOM 744 C LYS A 74 10.921 -5.267 -3.610 1.00 0.00 C ATOM 745 O LYS A 74 9.953 -4.692 -4.070 1.00 0.00 O ATOM 746 CB LYS A 74 12.147 -3.184 -2.907 1.00 0.00 C ATOM 747 CG LYS A 74 12.541 -3.269 -1.431 1.00 0.00 C ATOM 748 CD LYS A 74 14.065 -3.210 -1.299 1.00 0.00 C ATOM 749 CE LYS A 74 14.573 -1.838 -1.759 1.00 0.00 C ATOM 750 NZ LYS A 74 15.546 -2.127 -2.852 1.00 0.00 N ATOM 0 H LYS A 74 12.044 -3.950 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 74 12.960 -5.209 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.783 -2.465 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.122 -2.826 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.086 -2.449 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.164 -4.195 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.357 -3.388 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.522 -3.997 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.754 -1.214 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.050 -1.300 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.601 -1.310 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.484 -2.309 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.232 -2.964 -3.384 1.00 0.00 H new ATOM 764 N PRO A 75 10.891 -6.489 -3.136 1.00 0.00 N ATOM 765 CA PRO A 75 9.629 -7.272 -3.133 1.00 0.00 C ATOM 766 C PRO A 75 8.644 -6.671 -2.124 1.00 0.00 C ATOM 767 O PRO A 75 8.633 -7.031 -0.967 1.00 0.00 O ATOM 768 CB PRO A 75 10.079 -8.674 -2.724 1.00 0.00 C ATOM 769 CG PRO A 75 11.350 -8.463 -1.967 1.00 0.00 C ATOM 770 CD PRO A 75 12.010 -7.248 -2.560 1.00 0.00 C ATOM 0 HA PRO A 75 9.109 -7.274 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.328 -9.166 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.239 -9.308 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.148 -8.315 -0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.999 -9.335 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.538 -6.669 -1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.742 -7.521 -3.320 1.00 0.00 H new ATOM 778 N VAL A 76 7.828 -5.750 -2.565 1.00 0.00 N ATOM 779 CA VAL A 76 6.844 -5.100 -1.648 1.00 0.00 C ATOM 780 C VAL A 76 5.526 -5.880 -1.641 1.00 0.00 C ATOM 781 O VAL A 76 5.174 -6.538 -2.605 1.00 0.00 O ATOM 782 CB VAL A 76 6.635 -3.693 -2.215 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.622 -2.931 -1.359 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.966 -2.931 -2.216 1.00 0.00 C ATOM 0 H VAL A 76 7.801 -5.417 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 76 7.200 -5.073 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 76 6.260 -3.777 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.479 -1.931 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.671 -3.463 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.994 -2.855 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.812 -1.931 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.343 -2.856 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.690 -3.464 -2.832 1.00 0.00 H new ATOM 794 N SER A 77 4.794 -5.801 -0.560 1.00 0.00 N ATOM 795 CA SER A 77 3.493 -6.529 -0.468 1.00 0.00 C ATOM 796 C SER A 77 2.541 -5.806 0.492 1.00 0.00 C ATOM 797 O SER A 77 2.930 -5.392 1.569 1.00 0.00 O ATOM 798 CB SER A 77 3.851 -7.912 0.085 1.00 0.00 C ATOM 799 OG SER A 77 4.750 -8.566 -0.806 1.00 0.00 O ATOM 0 H SER A 77 5.043 -5.260 0.268 1.00 0.00 H new ATOM 0 HA SER A 77 2.989 -6.588 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.307 -7.814 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.948 -8.510 0.210 1.00 0.00 H new ATOM 0 HG SER A 77 4.979 -9.450 -0.449 1.00 0.00 H new ATOM 805 N PHE A 78 1.293 -5.658 0.115 1.00 0.00 N ATOM 806 CA PHE A 78 0.308 -4.973 1.015 1.00 0.00 C ATOM 807 C PHE A 78 -1.126 -5.365 0.656 1.00 0.00 C ATOM 808 O PHE A 78 -1.412 -5.776 -0.455 1.00 0.00 O ATOM 809 CB PHE A 78 0.508 -3.461 0.824 1.00 0.00 C ATOM 810 CG PHE A 78 0.648 -3.103 -0.642 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.493 -2.986 -1.445 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.916 -2.871 -1.189 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.366 -2.639 -2.795 1.00 0.00 C ATOM 814 CE2 PHE A 78 2.043 -2.524 -2.540 1.00 0.00 C ATOM 815 CZ PHE A 78 0.902 -2.408 -3.343 1.00 0.00 C ATOM 0 H PHE A 78 0.914 -5.981 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 78 0.471 -5.266 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.338 -2.924 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.397 -3.139 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.471 -3.163 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.796 -2.960 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.246 -2.549 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.021 -2.346 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.000 -2.140 -4.385 1.00 0.00 H new ATOM 825 N THR A 79 -2.032 -5.229 1.590 1.00 0.00 N ATOM 826 CA THR A 79 -3.457 -5.581 1.315 1.00 0.00 C ATOM 827 C THR A 79 -4.272 -4.314 1.070 1.00 0.00 C ATOM 828 O THR A 79 -4.125 -3.325 1.762 1.00 0.00 O ATOM 829 CB THR A 79 -3.968 -6.313 2.563 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.628 -5.576 3.730 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.344 -7.707 2.634 1.00 0.00 C ATOM 0 H THR A 79 -1.846 -4.889 2.533 1.00 0.00 H new ATOM 0 HA THR A 79 -3.550 -6.206 0.427 1.00 0.00 H new ATOM 0 HB THR A 79 -5.052 -6.406 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.958 -6.048 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.709 -8.224 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.619 -8.274 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.259 -7.618 2.687 1.00 0.00 H new ATOM 839 N VAL A 80 -5.135 -4.347 0.091 1.00 0.00 N ATOM 840 CA VAL A 80 -5.980 -3.155 -0.213 1.00 0.00 C ATOM 841 C VAL A 80 -7.459 -3.533 -0.080 1.00 0.00 C ATOM 842 O VAL A 80 -7.837 -4.672 -0.288 1.00 0.00 O ATOM 843 CB VAL A 80 -5.633 -2.744 -1.653 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.149 -2.369 -1.735 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.916 -3.900 -2.621 1.00 0.00 C ATOM 0 H VAL A 80 -5.292 -5.152 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.796 -2.329 0.473 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.248 -1.888 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.903 -2.078 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.946 -1.536 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.541 -3.226 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.665 -3.594 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.312 -4.764 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.972 -4.165 -2.572 1.00 0.00 H new ATOM 855 N LYS A 81 -8.295 -2.591 0.276 1.00 0.00 N ATOM 856 CA LYS A 81 -9.749 -2.898 0.434 1.00 0.00 C ATOM 857 C LYS A 81 -10.591 -1.899 -0.376 1.00 0.00 C ATOM 858 O LYS A 81 -10.338 -0.708 -0.374 1.00 0.00 O ATOM 859 CB LYS A 81 -10.005 -2.808 1.961 1.00 0.00 C ATOM 860 CG LYS A 81 -11.277 -2.012 2.292 1.00 0.00 C ATOM 861 CD LYS A 81 -12.343 -2.950 2.871 1.00 0.00 C ATOM 862 CE LYS A 81 -12.844 -3.916 1.791 1.00 0.00 C ATOM 863 NZ LYS A 81 -13.592 -3.076 0.816 1.00 0.00 N ATOM 0 H LYS A 81 -8.034 -1.623 0.464 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.029 -3.881 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.091 -3.814 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.148 -2.338 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.047 -1.223 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.657 -1.526 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.927 -3.512 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.177 -2.367 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.012 -4.430 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.487 -4.684 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.565 -3.525 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.580 -2.981 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.154 -2.134 0.761 1.00 0.00 H new ATOM 877 N GLU A 82 -11.588 -2.395 -1.075 1.00 0.00 N ATOM 878 CA GLU A 82 -12.478 -1.512 -1.906 1.00 0.00 C ATOM 879 C GLU A 82 -12.938 -0.284 -1.101 1.00 0.00 C ATOM 880 O GLU A 82 -13.473 -0.411 -0.015 1.00 0.00 O ATOM 881 CB GLU A 82 -13.683 -2.394 -2.263 1.00 0.00 C ATOM 882 CG GLU A 82 -14.286 -1.957 -3.600 1.00 0.00 C ATOM 883 CD GLU A 82 -15.681 -2.573 -3.752 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.764 -3.699 -4.219 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.643 -1.910 -3.395 1.00 0.00 O ATOM 0 H GLU A 82 -11.827 -3.386 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.963 -1.132 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.374 -3.438 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.436 -2.327 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.349 -0.870 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.644 -2.274 -4.422 1.00 0.00 H new ATOM 892 N THR A 83 -12.734 0.896 -1.628 1.00 0.00 N ATOM 893 CA THR A 83 -13.160 2.134 -0.901 1.00 0.00 C ATOM 894 C THR A 83 -14.489 2.644 -1.473 1.00 0.00 C ATOM 895 O THR A 83 -14.992 2.124 -2.451 1.00 0.00 O ATOM 896 CB THR A 83 -12.044 3.158 -1.151 1.00 0.00 C ATOM 897 OG1 THR A 83 -11.866 3.341 -2.551 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.740 2.660 -0.527 1.00 0.00 C ATOM 0 H THR A 83 -12.290 1.058 -2.532 1.00 0.00 H new ATOM 0 HA THR A 83 -13.311 1.954 0.163 1.00 0.00 H new ATOM 0 HB THR A 83 -12.320 4.109 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.556 4.254 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.949 3.389 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.877 2.529 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.463 1.706 -0.976 1.00 0.00 H new ATOM 906 N VAL A 84 -15.055 3.665 -0.878 1.00 0.00 N ATOM 907 CA VAL A 84 -16.349 4.217 -1.396 1.00 0.00 C ATOM 908 C VAL A 84 -16.081 5.239 -2.514 1.00 0.00 C ATOM 909 O VAL A 84 -16.647 6.318 -2.531 1.00 0.00 O ATOM 910 CB VAL A 84 -17.028 4.897 -0.194 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.340 3.857 0.886 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.109 5.978 0.392 1.00 0.00 C ATOM 0 H VAL A 84 -14.679 4.140 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.980 3.436 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.955 5.359 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.820 4.346 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.008 3.098 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.414 3.386 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.600 6.452 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.175 5.522 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.898 6.728 -0.370 1.00 0.00 H new ATOM 922 N CYS A 85 -15.218 4.912 -3.443 1.00 0.00 N ATOM 923 CA CYS A 85 -14.907 5.865 -4.546 1.00 0.00 C ATOM 924 C CYS A 85 -14.704 5.119 -5.870 1.00 0.00 C ATOM 925 O CYS A 85 -13.701 4.457 -6.059 1.00 0.00 O ATOM 926 CB CYS A 85 -13.610 6.543 -4.113 1.00 0.00 C ATOM 927 SG CYS A 85 -13.974 7.829 -2.897 1.00 0.00 S ATOM 0 H CYS A 85 -14.716 4.025 -3.483 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.715 6.577 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -12.928 5.807 -3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.109 6.978 -4.978 1.00 0.00 H new ATOM 932 N PRO A 86 -15.662 5.261 -6.756 1.00 0.00 N ATOM 933 CA PRO A 86 -15.573 4.603 -8.081 1.00 0.00 C ATOM 934 C PRO A 86 -14.608 5.378 -8.987 1.00 0.00 C ATOM 935 O PRO A 86 -14.336 6.544 -8.767 1.00 0.00 O ATOM 936 CB PRO A 86 -16.999 4.674 -8.617 1.00 0.00 C ATOM 937 CG PRO A 86 -17.626 5.842 -7.919 1.00 0.00 C ATOM 938 CD PRO A 86 -16.904 6.033 -6.608 1.00 0.00 C ATOM 0 HA PRO A 86 -15.197 3.581 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -17.006 4.812 -9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.544 3.753 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.550 6.740 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.687 5.661 -7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.697 7.086 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.500 5.670 -5.770 1.00 0.00 H new ATOM 946 N ARG A 87 -14.092 4.740 -10.002 1.00 0.00 N ATOM 947 CA ARG A 87 -13.143 5.438 -10.924 1.00 0.00 C ATOM 948 C ARG A 87 -13.908 6.058 -12.105 1.00 0.00 C ATOM 949 O ARG A 87 -14.916 5.522 -12.527 1.00 0.00 O ATOM 950 CB ARG A 87 -12.187 4.346 -11.417 1.00 0.00 C ATOM 951 CG ARG A 87 -10.794 4.566 -10.822 1.00 0.00 C ATOM 952 CD ARG A 87 -10.254 3.244 -10.270 1.00 0.00 C ATOM 953 NE ARG A 87 -10.263 2.304 -11.428 1.00 0.00 N ATOM 954 CZ ARG A 87 -9.140 1.923 -11.974 1.00 0.00 C ATOM 955 NH1 ARG A 87 -8.447 2.765 -12.691 1.00 0.00 N ATOM 956 NH2 ARG A 87 -8.712 0.701 -11.807 1.00 0.00 N ATOM 0 H ARG A 87 -14.285 3.766 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.611 6.250 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.564 3.364 -11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.134 4.361 -12.506 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.120 4.955 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.841 5.311 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.248 3.366 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.878 2.873 -9.457 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.150 1.958 -11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.783 3.719 -12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.569 2.469 -13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.255 0.042 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.834 0.405 -12.234 1.00 0.00 H new ATOM 970 N PRO A 88 -13.405 7.164 -12.619 1.00 0.00 N ATOM 971 CA PRO A 88 -12.172 7.802 -12.090 1.00 0.00 C ATOM 972 C PRO A 88 -12.506 8.790 -10.960 1.00 0.00 C ATOM 973 O PRO A 88 -13.464 9.536 -11.040 1.00 0.00 O ATOM 974 CB PRO A 88 -11.628 8.551 -13.302 1.00 0.00 C ATOM 975 CG PRO A 88 -12.814 8.821 -14.184 1.00 0.00 C ATOM 976 CD PRO A 88 -13.943 7.910 -13.759 1.00 0.00 C ATOM 0 HA PRO A 88 -11.469 7.085 -11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.144 9.481 -13.002 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.879 7.956 -13.825 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.118 9.865 -14.102 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.557 8.645 -15.229 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.828 8.480 -13.478 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -14.238 7.241 -14.567 1.00 0.00 H new ATOM 984 N THR A 89 -11.710 8.816 -9.918 1.00 0.00 N ATOM 985 CA THR A 89 -11.971 9.771 -8.795 1.00 0.00 C ATOM 986 C THR A 89 -11.155 11.056 -9.014 1.00 0.00 C ATOM 987 O THR A 89 -10.194 11.067 -9.763 1.00 0.00 O ATOM 988 CB THR A 89 -11.506 9.046 -7.520 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.109 7.758 -7.451 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.899 9.860 -6.280 1.00 0.00 C ATOM 0 H THR A 89 -10.892 8.218 -9.797 1.00 0.00 H new ATOM 0 HA THR A 89 -13.021 10.056 -8.728 1.00 0.00 H new ATOM 0 HB THR A 89 -10.422 8.939 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.917 7.745 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.566 9.339 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.429 10.842 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.982 9.978 -6.250 1.00 0.00 H new ATOM 998 N ARG A 90 -11.525 12.134 -8.367 1.00 0.00 N ATOM 999 CA ARG A 90 -10.763 13.414 -8.536 1.00 0.00 C ATOM 1000 C ARG A 90 -9.312 13.232 -8.067 1.00 0.00 C ATOM 1001 O ARG A 90 -8.378 13.590 -8.760 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.491 14.435 -7.655 1.00 0.00 C ATOM 1003 CG ARG A 90 -11.026 15.849 -8.011 1.00 0.00 C ATOM 1004 CD ARG A 90 -10.000 16.327 -6.980 1.00 0.00 C ATOM 1005 NE ARG A 90 -9.120 17.272 -7.722 1.00 0.00 N ATOM 1006 CZ ARG A 90 -7.822 17.191 -7.599 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -7.249 17.560 -6.483 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -7.099 16.736 -8.589 1.00 0.00 N ATOM 0 H ARG A 90 -12.320 12.185 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.723 13.735 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.568 14.350 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.291 14.230 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.586 15.858 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.878 16.528 -8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.486 16.819 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.429 15.492 -6.575 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.531 17.983 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.815 17.910 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.236 17.497 -6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.549 16.444 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.085 16.673 -8.493 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.124 12.676 -6.897 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.750 12.458 -6.364 1.00 0.00 C ATOM 1024 C GLN A 91 -7.534 10.956 -6.089 1.00 0.00 C ATOM 1025 O GLN A 91 -8.385 10.147 -6.415 1.00 0.00 O ATOM 1026 CB GLN A 91 -7.721 13.275 -5.067 1.00 0.00 C ATOM 1027 CG GLN A 91 -6.663 14.378 -5.170 1.00 0.00 C ATOM 1028 CD GLN A 91 -6.459 15.022 -3.795 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -6.596 16.220 -3.649 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -6.134 14.276 -2.771 1.00 0.00 N ATOM 0 H GLN A 91 -9.875 12.361 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.962 12.762 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.701 13.715 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.499 12.624 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.723 13.962 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.977 15.131 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.018 13.270 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.997 14.701 -1.854 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.407 10.626 -5.494 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.101 9.202 -5.175 1.00 0.00 C ATOM 1041 C PRO A 92 -7.081 8.660 -4.122 1.00 0.00 C ATOM 1042 O PRO A 92 -7.799 9.417 -3.500 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.672 9.259 -4.632 1.00 0.00 C ATOM 1044 CG PRO A 92 -4.508 10.656 -4.139 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.321 11.518 -5.063 1.00 0.00 C ATOM 0 HA PRO A 92 -6.196 8.537 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.525 8.536 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.944 9.026 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.856 10.750 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.459 10.953 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.705 12.402 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.730 11.869 -5.909 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.079 7.355 -3.960 1.00 0.00 N ATOM 1054 CA PRO A 93 -7.989 6.698 -2.974 1.00 0.00 C ATOM 1055 C PRO A 93 -7.621 7.051 -1.519 1.00 0.00 C ATOM 1056 O PRO A 93 -8.272 6.605 -0.590 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.787 5.208 -3.247 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.431 5.113 -3.866 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.239 6.374 -4.662 1.00 0.00 C ATOM 0 HA PRO A 93 -9.024 7.021 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.843 4.626 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.555 4.821 -3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.661 5.015 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.357 4.234 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.193 6.681 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.552 6.246 -5.698 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.598 7.846 -1.312 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.204 8.229 0.077 1.00 0.00 C ATOM 1069 C GLU A 94 -7.283 9.125 0.714 1.00 0.00 C ATOM 1070 O GLU A 94 -7.518 9.066 1.906 1.00 0.00 O ATOM 1071 CB GLU A 94 -4.890 8.997 -0.090 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.332 9.387 1.284 1.00 0.00 C ATOM 1073 CD GLU A 94 -4.746 10.824 1.626 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -4.564 11.694 0.788 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -5.232 11.029 2.725 1.00 0.00 O ATOM 0 H GLU A 94 -6.018 8.246 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.093 7.364 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.166 8.383 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.056 9.891 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.704 8.701 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.245 9.303 1.282 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.939 9.951 -0.073 1.00 0.00 N ATOM 1083 CA LEU A 95 -9.002 10.849 0.494 1.00 0.00 C ATOM 1084 C LEU A 95 -10.364 10.141 0.606 1.00 0.00 C ATOM 1085 O LEU A 95 -11.361 10.763 0.921 1.00 0.00 O ATOM 1086 CB LEU A 95 -9.110 12.076 -0.442 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.196 11.699 -1.938 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -10.065 10.457 -2.150 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -9.825 12.865 -2.704 1.00 0.00 C ATOM 0 H LEU A 95 -7.786 10.042 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.727 11.143 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.992 12.655 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.245 12.720 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.189 11.487 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.105 10.218 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.637 9.616 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.073 10.651 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.891 12.612 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.824 13.060 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.208 13.755 -2.582 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.423 8.857 0.349 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.729 8.134 0.441 1.00 0.00 C ATOM 1103 C CYS A 96 -11.768 7.238 1.689 1.00 0.00 C ATOM 1104 O CYS A 96 -10.818 7.168 2.446 1.00 0.00 O ATOM 1105 CB CYS A 96 -11.819 7.298 -0.840 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.151 8.393 -2.242 1.00 0.00 S ATOM 0 H CYS A 96 -9.626 8.280 0.080 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.570 8.822 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -10.888 6.754 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -12.611 6.554 -0.748 1.00 0.00 H new ATOM 1111 N ASP A 97 -12.872 6.562 1.907 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.000 5.674 3.104 1.00 0.00 C ATOM 1113 C ASP A 97 -12.813 4.199 2.707 1.00 0.00 C ATOM 1114 O ASP A 97 -12.316 3.896 1.641 1.00 0.00 O ATOM 1115 CB ASP A 97 -14.423 5.921 3.625 1.00 0.00 C ATOM 1116 CG ASP A 97 -14.498 7.299 4.289 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -14.700 8.269 3.576 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -14.351 7.360 5.499 1.00 0.00 O ATOM 0 H ASP A 97 -13.693 6.589 1.303 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.244 5.888 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.137 5.863 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -14.698 5.146 4.341 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.206 3.284 3.561 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.054 1.830 3.243 1.00 0.00 C ATOM 1125 C PHE A 98 -14.405 1.111 3.368 1.00 0.00 C ATOM 1126 O PHE A 98 -15.072 1.204 4.381 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.089 1.293 4.305 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.662 1.292 3.799 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.368 0.880 2.493 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.628 1.686 4.656 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.041 0.866 2.046 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.303 1.668 4.210 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.009 1.259 2.907 1.00 0.00 C ATOM 0 H PHE A 98 -13.627 3.484 4.468 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.692 1.672 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.158 1.904 5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.379 0.280 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.164 0.573 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.854 2.004 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.814 0.552 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.506 1.971 4.873 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.985 1.246 2.564 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.803 0.378 2.360 1.00 0.00 N ATOM 1144 CA LYS A 99 -16.101 -0.363 2.441 1.00 0.00 C ATOM 1145 C LYS A 99 -15.857 -1.729 3.074 1.00 0.00 C ATOM 1146 O LYS A 99 -15.396 -2.636 2.420 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.577 -0.552 0.999 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.886 0.805 0.363 1.00 0.00 C ATOM 1149 CD LYS A 99 -17.291 0.610 -1.104 1.00 0.00 C ATOM 1150 CE LYS A 99 -18.609 -0.174 -1.189 1.00 0.00 C ATOM 1151 NZ LYS A 99 -19.672 0.783 -0.760 1.00 0.00 N ATOM 0 H LYS A 99 -14.289 0.260 1.487 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.837 0.175 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.811 -1.067 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.467 -1.181 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.690 1.299 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.012 1.454 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -17.404 1.579 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -16.506 0.075 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.788 -0.531 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -18.586 -1.051 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -20.591 0.471 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -19.713 0.814 0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -19.454 1.732 -1.126 1.00 0.00 H new ATOM 1165 N GLU A 100 -16.156 -1.897 4.333 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.917 -3.231 4.973 1.00 0.00 C ATOM 1167 C GLU A 100 -16.599 -4.353 4.167 1.00 0.00 C ATOM 1168 O GLU A 100 -16.171 -5.492 4.193 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.517 -3.121 6.377 1.00 0.00 C ATOM 1170 CG GLU A 100 -16.157 -4.368 7.192 1.00 0.00 C ATOM 1171 CD GLU A 100 -17.433 -4.993 7.764 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -18.060 -5.765 7.057 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -17.761 -4.687 8.899 1.00 0.00 O ATOM 0 H GLU A 100 -16.551 -1.181 4.943 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.856 -3.480 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -16.140 -2.228 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.600 -3.017 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.637 -5.090 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.476 -4.102 8.000 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.645 -4.034 3.443 1.00 0.00 N ATOM 1181 CA ASN A 101 -18.347 -5.072 2.621 1.00 0.00 C ATOM 1182 C ASN A 101 -17.663 -5.250 1.247 1.00 0.00 C ATOM 1183 O ASN A 101 -18.136 -5.996 0.412 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.774 -4.538 2.444 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.759 -3.307 1.526 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -19.255 -2.264 1.894 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -20.291 -3.388 0.338 1.00 0.00 N ATOM 0 H ASN A 101 -18.044 -3.097 3.385 1.00 0.00 H new ATOM 0 HA ASN A 101 -18.327 -6.050 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -20.412 -5.313 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.196 -4.275 3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.284 -2.577 -0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.714 -4.262 0.027 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.558 -4.578 1.007 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.853 -4.711 -0.302 1.00 0.00 C ATOM 1196 C GLY A 102 -14.862 -5.878 -0.242 1.00 0.00 C ATOM 1197 O GLY A 102 -14.561 -6.398 0.818 1.00 0.00 O ATOM 0 H GLY A 102 -16.116 -3.941 1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.577 -4.877 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.326 -3.786 -0.537 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.346 -6.289 -1.373 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.369 -7.419 -1.383 1.00 0.00 C ATOM 1203 C ARG A 103 -11.962 -6.908 -1.038 1.00 0.00 C ATOM 1204 O ARG A 103 -11.608 -5.784 -1.345 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.418 -7.996 -2.808 1.00 0.00 C ATOM 1206 CG ARG A 103 -12.619 -7.107 -3.773 1.00 0.00 C ATOM 1207 CD ARG A 103 -12.622 -7.726 -5.175 1.00 0.00 C ATOM 1208 NE ARG A 103 -11.848 -8.997 -5.046 1.00 0.00 N ATOM 1209 CZ ARG A 103 -12.182 -10.043 -5.754 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -13.319 -10.648 -5.529 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -11.374 -10.487 -6.680 1.00 0.00 N ATOM 0 H ARG A 103 -14.559 -5.891 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.614 -8.180 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.010 -9.007 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.453 -8.069 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.054 -6.108 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.595 -6.997 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.639 -7.918 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.161 -7.057 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.057 -9.048 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.945 -10.303 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.580 -11.465 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.485 -10.017 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.633 -11.303 -7.234 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.163 -7.729 -0.408 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.777 -7.307 -0.043 1.00 0.00 C ATOM 1227 C VAL A 104 -8.762 -8.206 -0.754 1.00 0.00 C ATOM 1228 O VAL A 104 -8.968 -9.398 -0.893 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.678 -7.485 1.477 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -8.281 -7.080 1.955 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.720 -6.603 2.169 1.00 0.00 C ATOM 0 H VAL A 104 -11.412 -8.678 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.568 -6.279 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.861 -8.531 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.215 -7.208 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.534 -7.708 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.098 -6.036 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.647 -6.732 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.539 -5.559 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.718 -6.889 1.836 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.667 -7.649 -1.204 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.641 -8.476 -1.906 1.00 0.00 C ATOM 1243 C LYS A 105 -5.231 -7.963 -1.598 1.00 0.00 C ATOM 1244 O LYS A 105 -5.017 -6.778 -1.404 1.00 0.00 O ATOM 1245 CB LYS A 105 -6.959 -8.341 -3.402 1.00 0.00 C ATOM 1246 CG LYS A 105 -6.835 -6.876 -3.841 1.00 0.00 C ATOM 1247 CD LYS A 105 -7.433 -6.705 -5.243 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.369 -5.489 -5.258 1.00 0.00 C ATOM 1249 NZ LYS A 105 -8.235 -4.889 -6.622 1.00 0.00 N ATOM 0 H LYS A 105 -7.440 -6.659 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.669 -9.517 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.277 -8.961 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.968 -8.704 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.353 -6.229 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.788 -6.574 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.637 -6.573 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.982 -7.603 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.399 -5.786 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.091 -4.772 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.752 -3.971 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.680 -5.526 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.179 -4.753 -7.036 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.265 -8.846 -1.563 1.00 0.00 N ATOM 1264 CA GLN A 106 -2.865 -8.419 -1.283 1.00 0.00 C ATOM 1265 C GLN A 106 -2.043 -8.470 -2.568 1.00 0.00 C ATOM 1266 O GLN A 106 -1.756 -9.530 -3.092 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.333 -9.414 -0.249 1.00 0.00 C ATOM 1268 CG GLN A 106 -0.902 -9.038 0.152 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.619 -9.548 1.568 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.577 -8.776 2.505 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.422 -10.823 1.767 1.00 0.00 N ATOM 0 H GLN A 106 -4.389 -9.847 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.809 -7.396 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.977 -9.417 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.351 -10.423 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.190 -9.471 -0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.773 -7.956 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.457 -11.473 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.233 -11.169 2.708 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.664 -7.327 -3.076 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.855 -7.296 -4.329 1.00 0.00 C ATOM 1282 C CYS A 107 0.632 -7.257 -3.985 1.00 0.00 C ATOM 1283 O CYS A 107 1.110 -6.335 -3.348 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.269 -6.020 -5.056 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.487 -6.426 -6.333 1.00 0.00 S ATOM 0 H CYS A 107 -1.880 -6.413 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.023 -8.178 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.691 -5.306 -4.349 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.397 -5.546 -5.507 1.00 0.00 H new ATOM 1290 N VAL A 108 1.362 -8.259 -4.392 1.00 0.00 N ATOM 1291 CA VAL A 108 2.822 -8.299 -4.086 1.00 0.00 C ATOM 1292 C VAL A 108 3.653 -8.209 -5.377 1.00 0.00 C ATOM 1293 O VAL A 108 3.328 -8.809 -6.383 1.00 0.00 O ATOM 1294 CB VAL A 108 3.058 -9.636 -3.370 1.00 0.00 C ATOM 1295 CG1 VAL A 108 2.162 -9.722 -2.130 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.735 -10.803 -4.311 1.00 0.00 C ATOM 0 H VAL A 108 1.010 -9.054 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 108 3.127 -7.456 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 108 4.105 -9.695 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.332 -10.672 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.399 -8.902 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.117 -9.653 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.906 -11.746 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.692 -10.743 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.378 -10.750 -5.190 1.00 0.00 H new ATOM 1306 N GLY A 109 4.726 -7.461 -5.345 1.00 0.00 N ATOM 1307 CA GLY A 109 5.591 -7.322 -6.559 1.00 0.00 C ATOM 1308 C GLY A 109 6.960 -6.765 -6.153 1.00 0.00 C ATOM 1309 O GLY A 109 7.223 -6.545 -4.989 1.00 0.00 O ATOM 0 H GLY A 109 5.043 -6.938 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.711 -8.290 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.117 -6.658 -7.282 1.00 0.00 H new ATOM 1313 N THR A 110 7.836 -6.537 -7.102 1.00 0.00 N ATOM 1314 CA THR A 110 9.188 -5.999 -6.749 1.00 0.00 C ATOM 1315 C THR A 110 9.439 -4.645 -7.431 1.00 0.00 C ATOM 1316 O THR A 110 9.224 -4.481 -8.618 1.00 0.00 O ATOM 1317 CB THR A 110 10.197 -7.050 -7.230 1.00 0.00 C ATOM 1318 OG1 THR A 110 10.109 -7.193 -8.643 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.906 -8.398 -6.561 1.00 0.00 C ATOM 0 H THR A 110 7.676 -6.698 -8.096 1.00 0.00 H new ATOM 0 HA THR A 110 9.276 -5.823 -5.677 1.00 0.00 H new ATOM 0 HB THR A 110 11.202 -6.724 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.705 -6.388 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.626 -9.139 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.986 -8.292 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.898 -8.723 -6.820 1.00 0.00 H new ATOM 1327 N VAL A 111 9.897 -3.676 -6.675 1.00 0.00 N ATOM 1328 CA VAL A 111 10.175 -2.315 -7.241 1.00 0.00 C ATOM 1329 C VAL A 111 11.403 -1.698 -6.554 1.00 0.00 C ATOM 1330 O VAL A 111 11.554 -1.781 -5.350 1.00 0.00 O ATOM 1331 CB VAL A 111 8.922 -1.476 -6.939 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.752 -1.967 -7.794 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.548 -1.596 -5.454 1.00 0.00 C ATOM 0 H VAL A 111 10.093 -3.770 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 111 10.385 -2.357 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 111 9.136 -0.433 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.867 -1.370 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.006 -1.868 -8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.549 -3.013 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.659 -0.997 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.345 -2.639 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.374 -1.236 -4.841 1.00 0.00 H new ATOM 1343 N THR A 112 12.280 -1.080 -7.308 1.00 0.00 N ATOM 1344 CA THR A 112 13.497 -0.453 -6.690 1.00 0.00 C ATOM 1345 C THR A 112 13.086 0.608 -5.658 1.00 0.00 C ATOM 1346 O THR A 112 11.986 1.129 -5.691 1.00 0.00 O ATOM 1347 CB THR A 112 14.281 0.183 -7.850 1.00 0.00 C ATOM 1348 OG1 THR A 112 15.413 0.871 -7.330 1.00 0.00 O ATOM 1349 CG2 THR A 112 13.396 1.172 -8.608 1.00 0.00 C ATOM 0 H THR A 112 12.209 -0.981 -8.321 1.00 0.00 H new ATOM 0 HA THR A 112 14.105 -1.188 -6.162 1.00 0.00 H new ATOM 0 HB THR A 112 14.603 -0.603 -8.534 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.231 0.398 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 112 13.964 1.615 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 112 12.528 0.650 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 112 13.065 1.958 -7.929 1.00 0.00 H new ATOM 1357 N LEU A 113 13.961 0.920 -4.735 1.00 0.00 N ATOM 1358 CA LEU A 113 13.625 1.931 -3.686 1.00 0.00 C ATOM 1359 C LEU A 113 13.854 3.371 -4.182 1.00 0.00 C ATOM 1360 O LEU A 113 13.397 4.311 -3.561 1.00 0.00 O ATOM 1361 CB LEU A 113 14.561 1.606 -2.519 1.00 0.00 C ATOM 1362 CG LEU A 113 13.927 2.067 -1.205 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.849 1.069 -0.771 1.00 0.00 C ATOM 1364 CD2 LEU A 113 15.007 2.154 -0.123 1.00 0.00 C ATOM 0 H LEU A 113 14.895 0.517 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 113 12.573 1.881 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.755 0.534 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.522 2.099 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 113 13.472 3.047 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.401 1.402 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.079 1.007 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.299 0.086 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.558 2.482 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.462 1.173 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.771 2.868 -0.429 1.00 0.00 H new ATOM 1376 N ASP A 114 14.552 3.563 -5.277 1.00 0.00 N ATOM 1377 CA ASP A 114 14.791 4.954 -5.771 1.00 0.00 C ATOM 1378 C ASP A 114 14.156 5.167 -7.149 1.00 0.00 C ATOM 1379 O ASP A 114 13.445 6.132 -7.365 1.00 0.00 O ATOM 1380 CB ASP A 114 16.314 5.098 -5.851 1.00 0.00 C ATOM 1381 CG ASP A 114 16.842 5.661 -4.530 1.00 0.00 C ATOM 1382 OD1 ASP A 114 17.043 4.880 -3.615 1.00 0.00 O ATOM 1383 OD2 ASP A 114 17.032 6.865 -4.454 1.00 0.00 O ATOM 0 H ASP A 114 14.963 2.822 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 114 14.344 5.696 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.772 4.130 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 114 16.585 5.759 -6.675 1.00 0.00 H new ATOM 1388 N GLN A 115 14.413 4.289 -8.087 1.00 0.00 N ATOM 1389 CA GLN A 115 13.827 4.460 -9.454 1.00 0.00 C ATOM 1390 C GLN A 115 12.373 3.965 -9.491 1.00 0.00 C ATOM 1391 O GLN A 115 12.041 3.032 -10.200 1.00 0.00 O ATOM 1392 CB GLN A 115 14.711 3.619 -10.385 1.00 0.00 C ATOM 1393 CG GLN A 115 16.148 4.154 -10.365 1.00 0.00 C ATOM 1394 CD GLN A 115 17.130 3.000 -10.134 1.00 0.00 C ATOM 1395 OE1 GLN A 115 16.891 2.135 -9.314 1.00 0.00 O ATOM 1396 NE2 GLN A 115 18.237 2.951 -10.824 1.00 0.00 N ATOM 0 H GLN A 115 15.001 3.464 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 115 13.805 5.508 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.698 2.576 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 115 14.317 3.649 -11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 115 16.373 4.652 -11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.257 4.899 -9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 115 18.441 3.675 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.898 2.189 -10.674 1.00 0.00 H new ATOM 1405 N ILE A 116 11.503 4.593 -8.742 1.00 0.00 N ATOM 1406 CA ILE A 116 10.066 4.173 -8.738 1.00 0.00 C ATOM 1407 C ILE A 116 9.460 4.436 -10.124 1.00 0.00 C ATOM 1408 O ILE A 116 9.098 5.553 -10.449 1.00 0.00 O ATOM 1409 CB ILE A 116 9.394 5.046 -7.669 1.00 0.00 C ATOM 1410 CG1 ILE A 116 10.028 4.766 -6.299 1.00 0.00 C ATOM 1411 CG2 ILE A 116 7.897 4.727 -7.606 1.00 0.00 C ATOM 1412 CD1 ILE A 116 10.599 6.063 -5.722 1.00 0.00 C ATOM 0 H ILE A 116 11.725 5.380 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 116 9.934 3.113 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 116 9.532 6.096 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 116 9.283 4.351 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.818 4.022 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.424 5.349 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.441 4.929 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.759 3.676 -7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.048 5.862 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 116 11.357 6.459 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.798 6.794 -5.607 1.00 0.00 H new ATOM 1424 N LYS A 117 9.367 3.421 -10.951 1.00 0.00 N ATOM 1425 CA LYS A 117 8.808 3.624 -12.323 1.00 0.00 C ATOM 1426 C LYS A 117 7.853 2.488 -12.713 1.00 0.00 C ATOM 1427 O LYS A 117 7.765 1.472 -12.048 1.00 0.00 O ATOM 1428 CB LYS A 117 10.032 3.629 -13.248 1.00 0.00 C ATOM 1429 CG LYS A 117 10.471 5.073 -13.513 1.00 0.00 C ATOM 1430 CD LYS A 117 11.877 5.080 -14.122 1.00 0.00 C ATOM 1431 CE LYS A 117 11.809 5.567 -15.576 1.00 0.00 C ATOM 1432 NZ LYS A 117 11.628 4.333 -16.394 1.00 0.00 N ATOM 0 H LYS A 117 9.653 2.466 -10.735 1.00 0.00 H new ATOM 0 HA LYS A 117 8.228 4.545 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.848 3.068 -12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.792 3.133 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.768 5.559 -14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.464 5.642 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 117 12.532 5.729 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.305 4.078 -14.084 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.980 6.260 -15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.720 6.096 -15.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.573 4.589 -17.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.435 3.695 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.750 3.854 -16.110 1.00 0.00 H new ATOM 1446 N ASP A 118 7.146 2.666 -13.801 1.00 0.00 N ATOM 1447 CA ASP A 118 6.189 1.620 -14.280 1.00 0.00 C ATOM 1448 C ASP A 118 6.845 0.782 -15.392 1.00 0.00 C ATOM 1449 O ASP A 118 7.893 1.146 -15.893 1.00 0.00 O ATOM 1450 CB ASP A 118 4.991 2.412 -14.828 1.00 0.00 C ATOM 1451 CG ASP A 118 4.143 2.956 -13.668 1.00 0.00 C ATOM 1452 OD1 ASP A 118 3.905 2.215 -12.726 1.00 0.00 O ATOM 1453 OD2 ASP A 118 3.744 4.108 -13.746 1.00 0.00 O ATOM 0 H ASP A 118 7.191 3.501 -14.385 1.00 0.00 H new ATOM 0 HA ASP A 118 5.892 0.926 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.343 3.236 -15.449 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.382 1.771 -15.465 1.00 0.00 H new ATOM 1458 N PRO A 119 6.214 -0.316 -15.753 1.00 0.00 N ATOM 1459 CA PRO A 119 4.933 -0.733 -15.120 1.00 0.00 C ATOM 1460 C PRO A 119 5.178 -1.369 -13.746 1.00 0.00 C ATOM 1461 O PRO A 119 6.291 -1.716 -13.396 1.00 0.00 O ATOM 1462 CB PRO A 119 4.372 -1.764 -16.096 1.00 0.00 C ATOM 1463 CG PRO A 119 5.561 -2.313 -16.821 1.00 0.00 C ATOM 1464 CD PRO A 119 6.644 -1.264 -16.789 1.00 0.00 C ATOM 0 HA PRO A 119 4.258 0.105 -14.945 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.835 -2.552 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.666 -1.306 -16.789 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.906 -3.233 -16.348 1.00 0.00 H new ATOM 0 HG3 PRO A 119 5.300 -2.562 -17.850 1.00 0.00 H new ATOM 0 HD2 PRO A 119 7.613 -1.702 -16.548 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.748 -0.773 -17.756 1.00 0.00 H new ATOM 1472 N LEU A 120 4.134 -1.529 -12.973 1.00 0.00 N ATOM 1473 CA LEU A 120 4.278 -2.145 -11.621 1.00 0.00 C ATOM 1474 C LEU A 120 4.107 -3.666 -11.720 1.00 0.00 C ATOM 1475 O LEU A 120 3.005 -4.167 -11.847 1.00 0.00 O ATOM 1476 CB LEU A 120 3.156 -1.522 -10.782 1.00 0.00 C ATOM 1477 CG LEU A 120 3.477 -1.676 -9.293 1.00 0.00 C ATOM 1478 CD1 LEU A 120 4.534 -0.648 -8.888 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.203 -1.451 -8.472 1.00 0.00 C ATOM 0 H LEU A 120 3.183 -1.258 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 120 5.258 -1.965 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.045 -0.467 -11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.206 -2.006 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 120 3.859 -2.680 -9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.762 -0.759 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.440 -0.808 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.155 0.357 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.430 -1.560 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.821 -0.447 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.450 -2.185 -8.760 1.00 0.00 H new ATOM 1491 N ASP A 121 5.191 -4.399 -11.669 1.00 0.00 N ATOM 1492 CA ASP A 121 5.101 -5.891 -11.768 1.00 0.00 C ATOM 1493 C ASP A 121 4.642 -6.485 -10.430 1.00 0.00 C ATOM 1494 O ASP A 121 5.436 -6.974 -9.647 1.00 0.00 O ATOM 1495 CB ASP A 121 6.518 -6.363 -12.116 1.00 0.00 C ATOM 1496 CG ASP A 121 6.979 -5.707 -13.422 1.00 0.00 C ATOM 1497 OD1 ASP A 121 6.497 -6.107 -14.469 1.00 0.00 O ATOM 1498 OD2 ASP A 121 7.808 -4.815 -13.351 1.00 0.00 O ATOM 0 H ASP A 121 6.136 -4.030 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 121 4.378 -6.209 -12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.204 -6.108 -11.309 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.535 -7.448 -12.218 1.00 0.00 H new ATOM 1503 N ILE A 122 3.360 -6.443 -10.168 1.00 0.00 N ATOM 1504 CA ILE A 122 2.832 -7.003 -8.882 1.00 0.00 C ATOM 1505 C ILE A 122 1.668 -7.967 -9.151 1.00 0.00 C ATOM 1506 O ILE A 122 0.929 -7.817 -10.107 1.00 0.00 O ATOM 1507 CB ILE A 122 2.348 -5.796 -8.059 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.310 -4.989 -8.853 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.536 -4.891 -7.710 1.00 0.00 C ATOM 1510 CD1 ILE A 122 -0.097 -5.365 -8.384 1.00 0.00 C ATOM 0 H ILE A 122 2.654 -6.045 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 122 3.599 -7.567 -8.351 1.00 0.00 H new ATOM 0 HB ILE A 122 1.888 -6.165 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.479 -3.921 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.415 -5.190 -9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.186 -4.039 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.264 -5.455 -7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.004 -4.535 -8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.834 -4.792 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.263 -6.430 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.198 -5.141 -7.322 1.00 0.00 H new ATOM 1522 N THR A 123 1.498 -8.949 -8.302 1.00 0.00 N ATOM 1523 CA THR A 123 0.384 -9.927 -8.483 1.00 0.00 C ATOM 1524 C THR A 123 -0.476 -9.975 -7.213 1.00 0.00 C ATOM 1525 O THR A 123 0.035 -9.969 -6.110 1.00 0.00 O ATOM 1526 CB THR A 123 1.064 -11.281 -8.724 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.999 -11.167 -9.792 1.00 0.00 O ATOM 1528 CG2 THR A 123 0.010 -12.331 -9.082 1.00 0.00 C ATOM 0 H THR A 123 2.087 -9.116 -7.486 1.00 0.00 H new ATOM 0 HA THR A 123 -0.273 -9.657 -9.310 1.00 0.00 H new ATOM 0 HB THR A 123 1.586 -11.584 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.432 -12.033 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.496 -13.291 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.702 -12.426 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.516 -12.025 -9.986 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.775 -10.021 -7.362 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.668 -10.066 -6.163 1.00 0.00 C ATOM 1538 C CYS A 124 -3.190 -11.482 -5.936 1.00 0.00 C ATOM 1539 O CYS A 124 -3.390 -12.237 -6.870 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.834 -9.131 -6.484 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.772 -7.677 -5.408 1.00 0.00 S ATOM 0 H CYS A 124 -2.257 -10.029 -8.261 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.136 -9.767 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.788 -8.823 -7.529 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.780 -9.655 -6.348 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.423 -11.845 -4.700 1.00 0.00 N ATOM 1547 CA ASN A 125 -3.944 -13.216 -4.420 1.00 0.00 C ATOM 1548 C ASN A 125 -4.945 -13.208 -3.247 1.00 0.00 C ATOM 1549 O ASN A 125 -4.860 -14.026 -2.353 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.704 -14.066 -4.102 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.033 -13.577 -2.812 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -1.592 -12.448 -2.729 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -1.931 -14.389 -1.794 1.00 0.00 N ATOM 0 H ASN A 125 -3.276 -11.257 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.496 -13.619 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.991 -15.112 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -1.997 -14.012 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.482 -14.074 -0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.300 -15.338 -1.859 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.901 -12.300 -3.281 1.00 0.00 N ATOM 1561 CA GLU A 126 -6.964 -12.199 -2.212 1.00 0.00 C ATOM 1562 C GLU A 126 -6.463 -12.614 -0.814 1.00 0.00 C ATOM 1563 O GLU A 126 -6.515 -13.774 -0.442 1.00 0.00 O ATOM 1564 CB GLU A 126 -8.079 -13.139 -2.682 1.00 0.00 C ATOM 1565 CG GLU A 126 -9.420 -12.401 -2.647 1.00 0.00 C ATOM 1566 CD GLU A 126 -9.759 -11.884 -4.047 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -9.213 -10.860 -4.429 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -10.560 -12.518 -4.713 1.00 0.00 O ATOM 0 H GLU A 126 -5.992 -11.606 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.291 -11.166 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.871 -13.489 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.120 -14.020 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.205 -13.070 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.371 -11.570 -1.944 1.00 0.00 H new ATOM 1575 N VAL A 127 -6.001 -11.672 -0.028 1.00 0.00 N ATOM 1576 CA VAL A 127 -5.518 -12.011 1.346 1.00 0.00 C ATOM 1577 C VAL A 127 -6.227 -11.138 2.390 1.00 0.00 C ATOM 1578 O VAL A 127 -6.240 -9.925 2.295 1.00 0.00 O ATOM 1579 CB VAL A 127 -4.015 -11.721 1.328 1.00 0.00 C ATOM 1580 CG1 VAL A 127 -3.430 -11.928 2.727 1.00 0.00 C ATOM 1581 CG2 VAL A 127 -3.322 -12.669 0.345 1.00 0.00 C ATOM 0 H VAL A 127 -5.938 -10.685 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 127 -5.725 -13.048 1.610 1.00 0.00 H new ATOM 0 HB VAL A 127 -3.854 -10.689 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -2.360 -11.720 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -3.919 -11.253 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -3.594 -12.959 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -2.252 -12.462 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -3.488 -13.700 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -3.732 -12.520 -0.654 1.00 0.00 H new ATOM 1591 N GLN A 128 -6.817 -11.754 3.385 1.00 0.00 N ATOM 1592 CA GLN A 128 -7.529 -10.976 4.439 1.00 0.00 C ATOM 1593 C GLN A 128 -7.088 -11.432 5.834 1.00 0.00 C ATOM 1594 O GLN A 128 -6.777 -12.589 6.049 1.00 0.00 O ATOM 1595 CB GLN A 128 -9.015 -11.273 4.219 1.00 0.00 C ATOM 1596 CG GLN A 128 -9.740 -9.985 3.827 1.00 0.00 C ATOM 1597 CD GLN A 128 -9.903 -9.093 5.060 1.00 0.00 C ATOM 1598 OE1 GLN A 128 -8.976 -8.421 5.465 1.00 0.00 O ATOM 1599 NE2 GLN A 128 -11.050 -9.057 5.680 1.00 0.00 N ATOM 0 H GLN A 128 -6.835 -12.766 3.511 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.313 -9.909 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -9.135 -12.023 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -9.452 -11.687 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.177 -9.459 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -10.717 -10.220 3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -11.830 -9.620 5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -11.167 -8.465 6.503 1.00 0.00 H new ATOM 1608 N GLY A 129 -7.061 -10.530 6.781 1.00 0.00 N ATOM 1609 CA GLY A 129 -6.641 -10.902 8.164 1.00 0.00 C ATOM 1610 C GLY A 129 -6.733 -9.678 9.073 1.00 0.00 C ATOM 1611 O GLY A 129 -5.734 -9.167 9.543 1.00 0.00 O ATOM 0 H GLY A 129 -7.312 -9.550 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.277 -11.700 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -5.621 -11.285 8.155 1.00 0.00 H new ATOM 1615 N VAL A 130 -7.927 -9.206 9.321 1.00 0.00 N ATOM 1616 CA VAL A 130 -8.105 -8.010 10.203 1.00 0.00 C ATOM 1617 C VAL A 130 -9.555 -7.927 10.710 1.00 0.00 C ATOM 1618 O VAL A 130 -9.753 -7.390 11.788 1.00 0.00 O ATOM 1619 CB VAL A 130 -7.754 -6.801 9.319 1.00 0.00 C ATOM 1620 CG1 VAL A 130 -8.820 -6.606 8.235 1.00 0.00 C ATOM 1621 CG2 VAL A 130 -7.675 -5.541 10.187 1.00 0.00 C ATOM 1622 OXT VAL A 130 -10.441 -8.407 10.016 1.00 0.00 O ATOM 0 H VAL A 130 -8.792 -9.598 8.949 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.472 -8.053 11.090 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.792 -6.982 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.558 -5.747 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.872 -7.499 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.789 -6.434 8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -7.426 -4.683 9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.637 -5.371 10.670 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.905 -5.671 10.948 1.00 0.00 H new TER 1632 VAL A 130