USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= 1.17 K(o=-11,f=-9.5) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -10.2! C(o=-11!,f=-9.5!) USER MOD Set 1.3: A 61 TYR OH : rot -19:sc= -2.52! USER MOD Set 2.1: A 24 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.6!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.636 USER MOD Set 3.2: A 11 SER OG : rot 106:sc= 0.706 USER MOD Single : A 1 ALA N :NH3+ -135:sc= 0.0503 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 20 SER OG : rot 135:sc= -0.932 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.59 K(o=-2.6,f=-0.82) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -0.272 (180deg=-1.5!) USER MOD Single : A 50 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.2!) USER MOD Single : A 54 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-4.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.801 K(o=-0.8,f=-5.7!) USER MOD Single : A 74 THR OG1 : rot 23:sc= 0.768 USER MOD Single : A 81 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.0541 (180deg=-0.451) USER MOD Single : A 86 GLN : amide:sc= -1 K(o=-1,f=-4.1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.963 25.140 -0.859 1.00 0.00 N ATOM 2 CA ALA A 1 -10.863 24.048 -0.387 1.00 0.00 C ATOM 3 C ALA A 1 -10.612 23.784 1.099 1.00 0.00 C ATOM 4 O ALA A 1 -10.229 24.667 1.842 1.00 0.00 O ATOM 5 CB ALA A 1 -10.582 22.775 -1.186 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.506 25.810 -1.440 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.562 25.639 -0.039 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.193 24.734 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.901 24.346 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.239 21.977 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.763 22.962 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.543 22.477 -1.042 1.00 0.00 H new ATOM 13 N GLU A 2 -10.826 22.574 1.540 1.00 0.00 N ATOM 14 CA GLU A 2 -10.601 22.252 2.978 1.00 0.00 C ATOM 15 C GLU A 2 -9.893 20.902 3.094 1.00 0.00 C ATOM 16 O GLU A 2 -9.560 20.277 2.106 1.00 0.00 O ATOM 17 CB GLU A 2 -11.949 22.184 3.703 1.00 0.00 C ATOM 18 CG GLU A 2 -12.006 23.266 4.782 1.00 0.00 C ATOM 19 CD GLU A 2 -11.248 22.791 6.024 1.00 0.00 C ATOM 20 OE1 GLU A 2 -11.834 22.064 6.809 1.00 0.00 O ATOM 21 OE2 GLU A 2 -10.096 23.164 6.169 1.00 0.00 O ATOM 0 H GLU A 2 -11.147 21.794 0.966 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.983 23.027 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.763 22.322 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.082 21.200 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.568 24.191 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.043 23.485 5.038 1.00 0.00 H new ATOM 28 N VAL A 3 -9.661 20.444 4.293 1.00 0.00 N ATOM 29 CA VAL A 3 -8.976 19.132 4.469 1.00 0.00 C ATOM 30 C VAL A 3 -9.834 18.028 3.851 1.00 0.00 C ATOM 31 O VAL A 3 -10.827 17.612 4.414 1.00 0.00 O ATOM 32 CB VAL A 3 -8.781 18.853 5.960 1.00 0.00 C ATOM 33 CG1 VAL A 3 -8.038 17.527 6.141 1.00 0.00 C ATOM 34 CG2 VAL A 3 -7.963 19.984 6.585 1.00 0.00 C ATOM 0 H VAL A 3 -9.916 20.921 5.158 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.004 19.159 3.977 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.754 18.792 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.900 17.330 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.619 16.720 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.065 17.586 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.823 19.787 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.991 20.043 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.492 20.929 6.458 1.00 0.00 H new ATOM 44 N ARG A 4 -9.460 17.550 2.697 1.00 0.00 N ATOM 45 CA ARG A 4 -10.257 16.473 2.044 1.00 0.00 C ATOM 46 C ARG A 4 -10.263 15.229 2.938 1.00 0.00 C ATOM 47 O ARG A 4 -9.440 15.100 3.823 1.00 0.00 O ATOM 48 CB ARG A 4 -9.633 16.122 0.693 1.00 0.00 C ATOM 49 CG ARG A 4 -10.237 17.011 -0.397 1.00 0.00 C ATOM 50 CD ARG A 4 -10.456 16.184 -1.665 1.00 0.00 C ATOM 51 NE ARG A 4 -9.595 16.717 -2.759 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.567 16.116 -3.918 1.00 0.00 C ATOM 53 NH1 ARG A 4 -10.666 15.975 -4.607 1.00 0.00 N ATOM 54 NH2 ARG A 4 -8.440 15.655 -4.387 1.00 0.00 N ATOM 0 H ARG A 4 -8.638 17.858 2.178 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.279 16.820 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.553 16.261 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.811 15.072 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.183 17.431 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.573 17.850 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.216 15.138 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.504 16.222 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.028 17.550 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.547 16.334 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.644 15.506 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.581 15.764 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.418 15.186 -5.292 1.00 0.00 H new ATOM 68 N PRO A 5 -11.194 14.349 2.674 1.00 0.00 N ATOM 69 CA PRO A 5 -11.339 13.096 3.434 1.00 0.00 C ATOM 70 C PRO A 5 -10.297 12.070 2.973 1.00 0.00 C ATOM 71 O PRO A 5 -9.918 12.051 1.818 1.00 0.00 O ATOM 72 CB PRO A 5 -12.756 12.630 3.088 1.00 0.00 C ATOM 73 CG PRO A 5 -13.123 13.308 1.746 1.00 0.00 C ATOM 74 CD PRO A 5 -12.187 14.521 1.595 1.00 0.00 C ATOM 0 HA PRO A 5 -11.188 13.222 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.797 11.544 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.460 12.912 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.996 12.615 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -14.167 13.622 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.711 14.537 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.731 15.460 1.701 1.00 0.00 H new ATOM 82 N PRO A 6 -9.863 11.250 3.895 1.00 0.00 N ATOM 83 CA PRO A 6 -8.860 10.207 3.622 1.00 0.00 C ATOM 84 C PRO A 6 -9.507 9.006 2.928 1.00 0.00 C ATOM 85 O PRO A 6 -10.630 9.070 2.470 1.00 0.00 O ATOM 86 CB PRO A 6 -8.354 9.823 5.014 1.00 0.00 C ATOM 87 CG PRO A 6 -9.467 10.232 6.010 1.00 0.00 C ATOM 88 CD PRO A 6 -10.332 11.286 5.296 1.00 0.00 C ATOM 0 HA PRO A 6 -8.063 10.545 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.153 8.753 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.420 10.336 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.067 9.368 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.037 10.639 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.393 11.046 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.199 12.275 5.735 1.00 0.00 H new ATOM 96 N PHE A 7 -8.803 7.910 2.849 1.00 0.00 N ATOM 97 CA PHE A 7 -9.370 6.701 2.187 1.00 0.00 C ATOM 98 C PHE A 7 -8.715 5.450 2.777 1.00 0.00 C ATOM 99 O PHE A 7 -7.575 5.475 3.198 1.00 0.00 O ATOM 100 CB PHE A 7 -9.086 6.763 0.684 1.00 0.00 C ATOM 101 CG PHE A 7 -10.389 6.847 -0.076 1.00 0.00 C ATOM 102 CD1 PHE A 7 -11.224 5.726 -0.160 1.00 0.00 C ATOM 103 CD2 PHE A 7 -10.760 8.044 -0.701 1.00 0.00 C ATOM 104 CE1 PHE A 7 -12.431 5.802 -0.868 1.00 0.00 C ATOM 105 CE2 PHE A 7 -11.967 8.120 -1.408 1.00 0.00 C ATOM 106 CZ PHE A 7 -12.802 7.000 -1.491 1.00 0.00 C ATOM 0 H PHE A 7 -7.857 7.800 3.215 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.447 6.664 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.465 7.629 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.528 5.880 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.938 4.802 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -10.116 8.908 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.075 4.937 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.253 9.043 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.733 7.060 -2.036 1.00 0.00 H new ATOM 116 N THR A 8 -9.424 4.355 2.813 1.00 0.00 N ATOM 117 CA THR A 8 -8.835 3.108 3.377 1.00 0.00 C ATOM 118 C THR A 8 -7.554 2.764 2.613 1.00 0.00 C ATOM 119 O THR A 8 -7.589 2.378 1.462 1.00 0.00 O ATOM 120 CB THR A 8 -9.839 1.961 3.245 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.404 1.974 1.941 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.948 2.135 4.285 1.00 0.00 C ATOM 0 H THR A 8 -10.383 4.270 2.477 1.00 0.00 H new ATOM 0 HA THR A 8 -8.600 3.258 4.431 1.00 0.00 H new ATOM 0 HB THR A 8 -9.331 1.011 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.046 1.238 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.665 1.319 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.514 2.126 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.457 3.085 4.119 1.00 0.00 H new ATOM 130 N TYR A 9 -6.421 2.909 3.246 1.00 0.00 N ATOM 131 CA TYR A 9 -5.136 2.600 2.559 1.00 0.00 C ATOM 132 C TYR A 9 -5.209 1.213 1.918 1.00 0.00 C ATOM 133 O TYR A 9 -4.556 0.941 0.930 1.00 0.00 O ATOM 134 CB TYR A 9 -3.994 2.630 3.578 1.00 0.00 C ATOM 135 CG TYR A 9 -3.842 4.030 4.121 1.00 0.00 C ATOM 136 CD1 TYR A 9 -4.599 4.438 5.225 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.945 4.919 3.519 1.00 0.00 C ATOM 138 CE1 TYR A 9 -4.459 5.739 5.727 1.00 0.00 C ATOM 139 CE2 TYR A 9 -2.804 6.219 4.022 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.560 6.628 5.125 1.00 0.00 C ATOM 141 OH TYR A 9 -3.421 7.910 5.621 1.00 0.00 O ATOM 0 H TYR A 9 -6.331 3.229 4.210 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.956 3.345 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.199 1.933 4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.065 2.307 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.291 3.751 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.361 4.603 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.044 6.056 6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.111 6.905 3.558 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.756 8.396 5.090 1.00 0.00 H new ATOM 151 N ALA A 10 -5.996 0.331 2.471 1.00 0.00 N ATOM 152 CA ALA A 10 -6.104 -1.037 1.889 1.00 0.00 C ATOM 153 C ALA A 10 -6.480 -0.935 0.410 1.00 0.00 C ATOM 154 O ALA A 10 -6.107 -1.766 -0.395 1.00 0.00 O ATOM 155 CB ALA A 10 -7.180 -1.824 2.639 1.00 0.00 C ATOM 0 H ALA A 10 -6.568 0.498 3.299 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.147 -1.550 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.261 -2.825 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.910 -1.897 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.138 -1.312 2.545 1.00 0.00 H new ATOM 161 N SER A 11 -7.216 0.079 0.045 1.00 0.00 N ATOM 162 CA SER A 11 -7.618 0.237 -1.383 1.00 0.00 C ATOM 163 C SER A 11 -6.494 0.929 -2.159 1.00 0.00 C ATOM 164 O SER A 11 -6.117 0.505 -3.233 1.00 0.00 O ATOM 165 CB SER A 11 -8.886 1.088 -1.460 1.00 0.00 C ATOM 166 OG SER A 11 -9.837 0.598 -0.523 1.00 0.00 O ATOM 0 H SER A 11 -7.557 0.806 0.674 1.00 0.00 H new ATOM 0 HA SER A 11 -7.807 -0.744 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.652 2.131 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.300 1.054 -2.468 1.00 0.00 H new ATOM 0 HG SER A 11 -9.894 1.213 0.238 1.00 0.00 H new ATOM 172 N LEU A 12 -5.959 1.992 -1.624 1.00 0.00 N ATOM 173 CA LEU A 12 -4.862 2.711 -2.333 1.00 0.00 C ATOM 174 C LEU A 12 -3.607 1.836 -2.355 1.00 0.00 C ATOM 175 O LEU A 12 -2.994 1.640 -3.386 1.00 0.00 O ATOM 176 CB LEU A 12 -4.559 4.022 -1.604 1.00 0.00 C ATOM 177 CG LEU A 12 -5.062 5.200 -2.441 1.00 0.00 C ATOM 178 CD1 LEU A 12 -4.459 5.125 -3.844 1.00 0.00 C ATOM 179 CD2 LEU A 12 -6.588 5.138 -2.540 1.00 0.00 C ATOM 0 H LEU A 12 -6.233 2.394 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.170 2.926 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.040 4.026 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.487 4.116 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.764 6.135 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.818 5.964 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.372 5.167 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.757 4.190 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.948 5.977 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.884 4.202 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.020 5.191 -1.541 1.00 0.00 H new ATOM 191 N ILE A 13 -3.216 1.307 -1.227 1.00 0.00 N ATOM 192 CA ILE A 13 -1.998 0.448 -1.191 1.00 0.00 C ATOM 193 C ILE A 13 -2.145 -0.691 -2.206 1.00 0.00 C ATOM 194 O ILE A 13 -1.264 -0.937 -3.005 1.00 0.00 O ATOM 195 CB ILE A 13 -1.821 -0.132 0.215 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.559 1.003 1.206 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.631 -1.095 0.225 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.191 1.628 0.919 1.00 0.00 C ATOM 0 H ILE A 13 -3.686 1.432 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.123 1.047 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.727 -0.667 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.340 1.759 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.590 0.623 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.505 -1.508 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.813 -1.905 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.273 -0.559 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.005 2.437 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.585 0.869 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.177 2.023 -0.097 1.00 0.00 H new ATOM 210 N ARG A 14 -3.249 -1.387 -2.181 1.00 0.00 N ATOM 211 CA ARG A 14 -3.446 -2.509 -3.147 1.00 0.00 C ATOM 212 C ARG A 14 -3.430 -1.966 -4.579 1.00 0.00 C ATOM 213 O ARG A 14 -2.913 -2.592 -5.483 1.00 0.00 O ATOM 214 CB ARG A 14 -4.789 -3.189 -2.879 1.00 0.00 C ATOM 215 CG ARG A 14 -4.762 -4.610 -3.446 1.00 0.00 C ATOM 216 CD ARG A 14 -6.108 -5.289 -3.189 1.00 0.00 C ATOM 217 NE ARG A 14 -7.145 -4.692 -4.078 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.412 -5.242 -5.229 1.00 0.00 C ATOM 219 NH1 ARG A 14 -8.085 -6.359 -5.278 1.00 0.00 N ATOM 220 NH2 ARG A 14 -7.007 -4.675 -6.333 1.00 0.00 N ATOM 0 H ARG A 14 -4.023 -1.229 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.640 -3.233 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.987 -3.217 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.596 -2.618 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.556 -4.582 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.959 -5.183 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.028 -6.360 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.395 -5.167 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.646 -3.853 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.402 -6.802 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.294 -6.789 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.482 -3.802 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.216 -5.105 -7.234 1.00 0.00 H new ATOM 234 N GLN A 15 -3.994 -0.807 -4.793 1.00 0.00 N ATOM 235 CA GLN A 15 -4.011 -0.231 -6.167 1.00 0.00 C ATOM 236 C GLN A 15 -2.578 -0.139 -6.690 1.00 0.00 C ATOM 237 O GLN A 15 -2.248 -0.685 -7.724 1.00 0.00 O ATOM 238 CB GLN A 15 -4.633 1.166 -6.125 1.00 0.00 C ATOM 239 CG GLN A 15 -5.762 1.254 -7.153 1.00 0.00 C ATOM 240 CD GLN A 15 -7.087 0.883 -6.485 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.605 1.630 -5.680 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.660 -0.251 -6.785 1.00 0.00 N ATOM 0 H GLN A 15 -4.443 -0.236 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.600 -0.868 -6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.019 1.374 -5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.875 1.920 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.818 2.263 -7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.562 0.582 -7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.225 -0.879 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.542 -0.509 -6.343 1.00 0.00 H new ATOM 251 N ALA A 16 -1.721 0.544 -5.982 1.00 0.00 N ATOM 252 CA ALA A 16 -0.308 0.662 -6.437 1.00 0.00 C ATOM 253 C ALA A 16 0.277 -0.740 -6.617 1.00 0.00 C ATOM 254 O ALA A 16 0.917 -1.035 -7.606 1.00 0.00 O ATOM 255 CB ALA A 16 0.502 1.427 -5.388 1.00 0.00 C ATOM 0 H ALA A 16 -1.938 1.025 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.268 1.200 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.537 1.514 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.078 2.423 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.469 0.890 -4.440 1.00 0.00 H new ATOM 261 N ILE A 17 0.052 -1.610 -5.670 1.00 0.00 N ATOM 262 CA ILE A 17 0.585 -2.996 -5.785 1.00 0.00 C ATOM 263 C ILE A 17 -0.073 -3.690 -6.978 1.00 0.00 C ATOM 264 O ILE A 17 0.580 -4.348 -7.763 1.00 0.00 O ATOM 265 CB ILE A 17 0.273 -3.767 -4.502 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.162 -3.246 -3.369 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.548 -5.256 -4.718 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.440 -3.410 -2.030 1.00 0.00 C ATOM 0 H ILE A 17 -0.479 -1.419 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 17 1.664 -2.966 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.776 -3.627 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.105 -3.792 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.404 -2.196 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.325 -5.804 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.081 -5.629 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.597 -5.398 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.075 -3.038 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.492 -2.844 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.221 -4.464 -1.861 1.00 0.00 H new ATOM 280 N LEU A 18 -1.362 -3.544 -7.126 1.00 0.00 N ATOM 281 CA LEU A 18 -2.059 -4.193 -8.272 1.00 0.00 C ATOM 282 C LEU A 18 -1.442 -3.706 -9.584 1.00 0.00 C ATOM 283 O LEU A 18 -1.631 -4.298 -10.629 1.00 0.00 O ATOM 284 CB LEU A 18 -3.544 -3.826 -8.239 1.00 0.00 C ATOM 285 CG LEU A 18 -4.378 -5.082 -7.985 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.197 -6.060 -9.146 1.00 0.00 C ATOM 287 CD2 LEU A 18 -3.914 -5.746 -6.686 1.00 0.00 C ATOM 0 H LEU A 18 -1.962 -3.003 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.951 -5.275 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.730 -3.090 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.837 -3.368 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.430 -4.808 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.792 -6.955 -8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.524 -5.589 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.145 -6.334 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.507 -6.642 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.862 -6.019 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.041 -5.051 -5.856 1.00 0.00 H new ATOM 299 N GLU A 19 -0.707 -2.631 -9.539 1.00 0.00 N ATOM 300 CA GLU A 19 -0.077 -2.102 -10.780 1.00 0.00 C ATOM 301 C GLU A 19 0.958 -3.105 -11.298 1.00 0.00 C ATOM 302 O GLU A 19 1.305 -3.107 -12.463 1.00 0.00 O ATOM 303 CB GLU A 19 0.610 -0.771 -10.467 1.00 0.00 C ATOM 304 CG GLU A 19 1.264 -0.216 -11.735 1.00 0.00 C ATOM 305 CD GLU A 19 2.484 0.624 -11.356 1.00 0.00 C ATOM 306 OE1 GLU A 19 3.384 0.080 -10.735 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.499 1.796 -11.692 1.00 0.00 O ATOM 0 H GLU A 19 -0.515 -2.094 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.841 -1.949 -11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.117 -0.058 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.362 -0.913 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.562 -1.034 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.549 0.392 -12.289 1.00 0.00 H new ATOM 314 N SER A 20 1.453 -3.958 -10.444 1.00 0.00 N ATOM 315 CA SER A 20 2.466 -4.956 -10.891 1.00 0.00 C ATOM 316 C SER A 20 1.759 -6.134 -11.571 1.00 0.00 C ATOM 317 O SER A 20 0.546 -6.199 -11.590 1.00 0.00 O ATOM 318 CB SER A 20 3.258 -5.456 -9.680 1.00 0.00 C ATOM 319 OG SER A 20 2.846 -6.777 -9.352 1.00 0.00 O ATOM 0 H SER A 20 1.200 -4.007 -9.457 1.00 0.00 H new ATOM 0 HA SER A 20 3.149 -4.490 -11.601 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.325 -5.441 -9.900 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.099 -4.793 -8.830 1.00 0.00 H new ATOM 0 HG SER A 20 3.635 -7.333 -9.182 1.00 0.00 H new ATOM 325 N PRO A 21 2.545 -7.034 -12.106 1.00 0.00 N ATOM 326 CA PRO A 21 2.028 -8.228 -12.796 1.00 0.00 C ATOM 327 C PRO A 21 1.561 -9.269 -11.776 1.00 0.00 C ATOM 328 O PRO A 21 0.695 -10.077 -12.047 1.00 0.00 O ATOM 329 CB PRO A 21 3.237 -8.737 -13.587 1.00 0.00 C ATOM 330 CG PRO A 21 4.490 -8.163 -12.884 1.00 0.00 C ATOM 331 CD PRO A 21 4.019 -6.944 -12.071 1.00 0.00 C ATOM 0 HA PRO A 21 1.168 -8.020 -13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.263 -9.827 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.189 -8.408 -14.625 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.946 -8.910 -12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.245 -7.873 -13.614 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.396 -6.977 -11.049 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.372 -6.011 -12.511 1.00 0.00 H new ATOM 339 N GLU A 22 2.125 -9.247 -10.600 1.00 0.00 N ATOM 340 CA GLU A 22 1.720 -10.218 -9.555 1.00 0.00 C ATOM 341 C GLU A 22 1.368 -9.457 -8.276 1.00 0.00 C ATOM 342 O GLU A 22 1.500 -9.963 -7.181 1.00 0.00 O ATOM 343 CB GLU A 22 2.871 -11.186 -9.280 1.00 0.00 C ATOM 344 CG GLU A 22 2.852 -12.308 -10.319 1.00 0.00 C ATOM 345 CD GLU A 22 4.256 -12.896 -10.466 1.00 0.00 C ATOM 346 OE1 GLU A 22 5.208 -12.180 -10.201 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.356 -14.053 -10.842 1.00 0.00 O ATOM 0 H GLU A 22 2.854 -8.591 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 22 0.853 -10.784 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.823 -10.656 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.778 -11.603 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.151 -13.086 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.506 -11.923 -11.278 1.00 0.00 H new ATOM 354 N LYS A 23 0.908 -8.245 -8.412 1.00 0.00 N ATOM 355 CA LYS A 23 0.538 -7.442 -7.228 1.00 0.00 C ATOM 356 C LYS A 23 1.635 -7.533 -6.163 1.00 0.00 C ATOM 357 O LYS A 23 1.360 -7.664 -4.989 1.00 0.00 O ATOM 358 CB LYS A 23 -0.778 -7.961 -6.664 1.00 0.00 C ATOM 359 CG LYS A 23 -1.623 -8.588 -7.776 1.00 0.00 C ATOM 360 CD LYS A 23 -1.505 -10.112 -7.710 1.00 0.00 C ATOM 361 CE LYS A 23 -1.395 -10.679 -9.125 1.00 0.00 C ATOM 362 NZ LYS A 23 -2.734 -11.153 -9.575 1.00 0.00 N ATOM 0 H LYS A 23 0.773 -7.776 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 23 0.425 -6.398 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.582 -8.700 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.328 -7.144 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.665 -8.288 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.287 -8.229 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.630 -10.394 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.375 -10.533 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.020 -9.915 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.681 -11.502 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.660 -11.539 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.075 -11.894 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.403 -10.357 -9.572 1.00 0.00 H new ATOM 376 N GLN A 24 2.876 -7.461 -6.565 1.00 0.00 N ATOM 377 CA GLN A 24 3.989 -7.538 -5.580 1.00 0.00 C ATOM 378 C GLN A 24 5.002 -6.427 -5.860 1.00 0.00 C ATOM 379 O GLN A 24 5.501 -6.299 -6.960 1.00 0.00 O ATOM 380 CB GLN A 24 4.717 -8.882 -5.691 1.00 0.00 C ATOM 381 CG GLN A 24 4.004 -9.834 -6.660 1.00 0.00 C ATOM 382 CD GLN A 24 5.020 -10.816 -7.245 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.883 -10.431 -8.010 1.00 0.00 O ATOM 384 NE2 GLN A 24 4.957 -12.077 -6.917 1.00 0.00 N ATOM 0 H GLN A 24 3.166 -7.352 -7.537 1.00 0.00 H new ATOM 0 HA GLN A 24 3.565 -7.430 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.739 -8.715 -6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.780 -9.345 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.215 -10.377 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.527 -9.267 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.234 -12.402 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.631 -12.738 -7.302 1.00 0.00 H new ATOM 393 N LEU A 25 5.335 -5.631 -4.877 1.00 0.00 N ATOM 394 CA LEU A 25 6.339 -4.561 -5.131 1.00 0.00 C ATOM 395 C LEU A 25 6.911 -4.001 -3.829 1.00 0.00 C ATOM 396 O LEU A 25 6.311 -4.100 -2.780 1.00 0.00 O ATOM 397 CB LEU A 25 5.700 -3.445 -5.947 1.00 0.00 C ATOM 398 CG LEU A 25 4.287 -3.164 -5.432 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.325 -2.928 -3.921 1.00 0.00 C ATOM 400 CD2 LEU A 25 3.734 -1.918 -6.128 1.00 0.00 C ATOM 0 H LEU A 25 4.963 -5.674 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 25 7.166 -4.998 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.306 -2.542 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.663 -3.728 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 25 3.647 -4.020 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.317 -2.728 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.720 -3.814 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.965 -2.073 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.727 -1.714 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.377 -1.065 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.703 -2.086 -7.205 1.00 0.00 H new ATOM 412 N THR A 26 8.085 -3.432 -3.890 1.00 0.00 N ATOM 413 CA THR A 26 8.727 -2.882 -2.659 1.00 0.00 C ATOM 414 C THR A 26 8.016 -1.608 -2.199 1.00 0.00 C ATOM 415 O THR A 26 7.298 -0.974 -2.946 1.00 0.00 O ATOM 416 CB THR A 26 10.192 -2.551 -2.958 1.00 0.00 C ATOM 417 OG1 THR A 26 10.250 -1.487 -3.900 1.00 0.00 O ATOM 418 CG2 THR A 26 10.890 -3.785 -3.531 1.00 0.00 C ATOM 0 H THR A 26 8.631 -3.324 -4.745 1.00 0.00 H new ATOM 0 HA THR A 26 8.659 -3.630 -1.869 1.00 0.00 H new ATOM 0 HB THR A 26 10.694 -2.251 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.186 -1.271 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.932 -3.548 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.843 -4.599 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.393 -4.090 -4.452 1.00 0.00 H new ATOM 426 N LEU A 27 8.225 -1.232 -0.965 1.00 0.00 N ATOM 427 CA LEU A 27 7.582 0.003 -0.434 1.00 0.00 C ATOM 428 C LEU A 27 8.189 1.231 -1.118 1.00 0.00 C ATOM 429 O LEU A 27 7.527 2.225 -1.335 1.00 0.00 O ATOM 430 CB LEU A 27 7.830 0.093 1.074 1.00 0.00 C ATOM 431 CG LEU A 27 6.493 0.172 1.811 1.00 0.00 C ATOM 432 CD1 LEU A 27 6.682 -0.285 3.258 1.00 0.00 C ATOM 433 CD2 LEU A 27 5.990 1.616 1.795 1.00 0.00 C ATOM 0 H LEU A 27 8.816 -1.730 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 27 6.511 -0.032 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.392 -0.777 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.434 0.971 1.301 1.00 0.00 H new ATOM 0 HG LEU A 27 5.766 -0.473 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.729 -0.229 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.044 -1.313 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.408 0.361 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.037 1.675 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.717 2.260 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.857 1.944 0.764 1.00 0.00 H new ATOM 445 N ASN A 28 9.448 1.172 -1.454 1.00 0.00 N ATOM 446 CA ASN A 28 10.096 2.340 -2.116 1.00 0.00 C ATOM 447 C ASN A 28 9.319 2.715 -3.379 1.00 0.00 C ATOM 448 O ASN A 28 9.022 3.868 -3.616 1.00 0.00 O ATOM 449 CB ASN A 28 11.536 1.980 -2.492 1.00 0.00 C ATOM 450 CG ASN A 28 12.152 3.122 -3.303 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.602 2.919 -4.414 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.193 4.321 -2.791 1.00 0.00 N ATOM 0 H ASN A 28 10.055 0.367 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 28 10.098 3.187 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.124 1.800 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.552 1.058 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.603 5.089 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.815 4.491 -1.859 1.00 0.00 H new ATOM 459 N GLU A 29 8.993 1.750 -4.197 1.00 0.00 N ATOM 460 CA GLU A 29 8.243 2.057 -5.447 1.00 0.00 C ATOM 461 C GLU A 29 6.881 2.666 -5.097 1.00 0.00 C ATOM 462 O GLU A 29 6.501 3.697 -5.619 1.00 0.00 O ATOM 463 CB GLU A 29 8.038 0.769 -6.247 1.00 0.00 C ATOM 464 CG GLU A 29 9.304 0.462 -7.051 1.00 0.00 C ATOM 465 CD GLU A 29 9.492 -1.053 -7.147 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.683 -1.768 -6.580 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.443 -1.472 -7.787 1.00 0.00 O ATOM 0 H GLU A 29 9.214 0.765 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 29 8.812 2.770 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.812 -0.058 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.185 0.876 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.228 0.894 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.171 0.917 -6.572 1.00 0.00 H new ATOM 474 N ILE A 30 6.141 2.038 -4.226 1.00 0.00 N ATOM 475 CA ILE A 30 4.805 2.583 -3.855 1.00 0.00 C ATOM 476 C ILE A 30 4.961 4.030 -3.367 1.00 0.00 C ATOM 477 O ILE A 30 4.153 4.887 -3.669 1.00 0.00 O ATOM 478 CB ILE A 30 4.175 1.692 -2.764 1.00 0.00 C ATOM 479 CG1 ILE A 30 2.669 1.583 -3.012 1.00 0.00 C ATOM 480 CG2 ILE A 30 4.411 2.274 -1.364 1.00 0.00 C ATOM 481 CD1 ILE A 30 2.029 2.964 -2.874 1.00 0.00 C ATOM 0 H ILE A 30 6.403 1.172 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 30 4.145 2.584 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 30 4.644 0.709 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.482 1.181 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.221 0.890 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.955 1.623 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.482 2.347 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.964 3.266 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.956 2.887 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.205 3.348 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.469 3.644 -3.604 1.00 0.00 H new ATOM 493 N TYR A 31 5.993 4.308 -2.617 1.00 0.00 N ATOM 494 CA TYR A 31 6.198 5.697 -2.113 1.00 0.00 C ATOM 495 C TYR A 31 6.449 6.636 -3.295 1.00 0.00 C ATOM 496 O TYR A 31 5.948 7.741 -3.341 1.00 0.00 O ATOM 497 CB TYR A 31 7.406 5.729 -1.174 1.00 0.00 C ATOM 498 CG TYR A 31 7.686 7.154 -0.760 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.637 7.977 -0.333 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.994 7.652 -0.804 1.00 0.00 C ATOM 501 CE1 TYR A 31 6.897 9.300 0.051 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.253 8.974 -0.420 1.00 0.00 C ATOM 503 CZ TYR A 31 8.205 9.797 0.007 1.00 0.00 C ATOM 504 OH TYR A 31 8.461 11.100 0.386 1.00 0.00 O ATOM 0 H TYR A 31 6.703 3.634 -2.331 1.00 0.00 H new ATOM 0 HA TYR A 31 5.309 6.020 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.212 5.115 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.278 5.306 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.628 7.593 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.803 7.017 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.088 9.936 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.262 9.358 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 31 9.419 11.284 0.297 1.00 0.00 H new ATOM 514 N ASN A 32 7.223 6.202 -4.253 1.00 0.00 N ATOM 515 CA ASN A 32 7.505 7.067 -5.432 1.00 0.00 C ATOM 516 C ASN A 32 6.192 7.418 -6.134 1.00 0.00 C ATOM 517 O ASN A 32 5.892 8.571 -6.371 1.00 0.00 O ATOM 518 CB ASN A 32 8.419 6.320 -6.405 1.00 0.00 C ATOM 519 CG ASN A 32 9.340 7.316 -7.113 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.545 7.170 -7.088 1.00 0.00 O ATOM 521 ND2 ASN A 32 8.818 8.331 -7.746 1.00 0.00 N ATOM 0 H ASN A 32 7.672 5.286 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 32 7.996 7.982 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.012 5.580 -5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.821 5.778 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.422 9.002 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.806 8.453 -7.767 1.00 0.00 H new ATOM 528 N TRP A 33 5.408 6.431 -6.472 1.00 0.00 N ATOM 529 CA TRP A 33 4.117 6.706 -7.161 1.00 0.00 C ATOM 530 C TRP A 33 3.243 7.603 -6.281 1.00 0.00 C ATOM 531 O TRP A 33 2.655 8.561 -6.742 1.00 0.00 O ATOM 532 CB TRP A 33 3.389 5.386 -7.424 1.00 0.00 C ATOM 533 CG TRP A 33 2.095 5.660 -8.120 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.947 5.793 -9.459 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.769 5.837 -7.542 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.615 6.040 -9.739 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.151 6.076 -8.590 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.280 5.812 -6.224 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.508 6.285 -8.339 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.085 6.021 -5.967 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.977 6.257 -7.022 1.00 0.00 C ATOM 0 H TRP A 33 5.607 5.445 -6.300 1.00 0.00 H new ATOM 0 HA TRP A 33 4.313 7.210 -8.107 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.011 4.731 -8.034 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.205 4.866 -6.484 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.739 5.718 -10.189 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.244 6.179 -10.679 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.959 5.631 -5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.191 6.467 -9.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.449 6.000 -4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.025 6.417 -6.818 1.00 0.00 H new ATOM 552 N PHE A 34 3.148 7.295 -5.016 1.00 0.00 N ATOM 553 CA PHE A 34 2.307 8.121 -4.104 1.00 0.00 C ATOM 554 C PHE A 34 2.647 9.604 -4.276 1.00 0.00 C ATOM 555 O PHE A 34 1.777 10.432 -4.461 1.00 0.00 O ATOM 556 CB PHE A 34 2.573 7.706 -2.655 1.00 0.00 C ATOM 557 CG PHE A 34 1.409 6.892 -2.141 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.058 5.695 -2.777 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.683 7.331 -1.026 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.019 4.939 -2.301 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.395 6.575 -0.550 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.745 5.379 -1.188 1.00 0.00 C ATOM 0 H PHE A 34 3.618 6.505 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 34 1.256 7.964 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.492 7.123 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.715 8.590 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.619 5.355 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.955 8.253 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.290 4.016 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.956 6.914 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.576 4.795 -0.821 1.00 0.00 H new ATOM 572 N THR A 35 3.903 9.948 -4.204 1.00 0.00 N ATOM 573 CA THR A 35 4.297 11.380 -4.348 1.00 0.00 C ATOM 574 C THR A 35 4.167 11.823 -5.809 1.00 0.00 C ATOM 575 O THR A 35 3.747 12.926 -6.096 1.00 0.00 O ATOM 576 CB THR A 35 5.750 11.553 -3.897 1.00 0.00 C ATOM 577 OG1 THR A 35 6.307 10.280 -3.596 1.00 0.00 O ATOM 578 CG2 THR A 35 5.800 12.441 -2.653 1.00 0.00 C ATOM 0 H THR A 35 4.675 9.299 -4.052 1.00 0.00 H new ATOM 0 HA THR A 35 3.639 11.992 -3.731 1.00 0.00 H new ATOM 0 HB THR A 35 6.324 12.021 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.237 10.390 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.835 12.563 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.375 13.417 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.225 11.977 -1.851 1.00 0.00 H new ATOM 586 N ARG A 36 4.534 10.980 -6.733 1.00 0.00 N ATOM 587 CA ARG A 36 4.444 11.361 -8.173 1.00 0.00 C ATOM 588 C ARG A 36 3.029 11.845 -8.502 1.00 0.00 C ATOM 589 O ARG A 36 2.842 12.911 -9.055 1.00 0.00 O ATOM 590 CB ARG A 36 4.781 10.149 -9.041 1.00 0.00 C ATOM 591 CG ARG A 36 5.627 10.595 -10.236 1.00 0.00 C ATOM 592 CD ARG A 36 6.115 9.365 -11.002 1.00 0.00 C ATOM 593 NE ARG A 36 6.862 9.798 -12.216 1.00 0.00 N ATOM 594 CZ ARG A 36 7.336 8.905 -13.041 1.00 0.00 C ATOM 595 NH1 ARG A 36 6.932 7.667 -12.964 1.00 0.00 N ATOM 596 NH2 ARG A 36 8.215 9.251 -13.941 1.00 0.00 N ATOM 0 H ARG A 36 4.893 10.042 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 36 5.151 12.166 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.324 9.408 -8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.865 9.672 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.039 11.236 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.477 11.184 -9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.758 8.758 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.268 8.741 -11.287 1.00 0.00 H new ATOM 0 HE ARG A 36 7.003 10.791 -12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.246 7.397 -12.259 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.302 6.969 -13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.531 10.219 -13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.586 8.553 -14.586 1.00 0.00 H new ATOM 610 N MET A 37 2.033 11.069 -8.180 1.00 0.00 N ATOM 611 CA MET A 37 0.635 11.485 -8.487 1.00 0.00 C ATOM 612 C MET A 37 0.198 12.592 -7.527 1.00 0.00 C ATOM 613 O MET A 37 -0.320 13.612 -7.937 1.00 0.00 O ATOM 614 CB MET A 37 -0.297 10.282 -8.333 1.00 0.00 C ATOM 615 CG MET A 37 -0.351 9.506 -9.651 1.00 0.00 C ATOM 616 SD MET A 37 -1.662 10.184 -10.699 1.00 0.00 S ATOM 617 CE MET A 37 -2.830 8.816 -10.507 1.00 0.00 C ATOM 0 H MET A 37 2.125 10.165 -7.718 1.00 0.00 H new ATOM 0 HA MET A 37 0.588 11.859 -9.510 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.058 9.634 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.296 10.616 -8.054 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.609 9.572 -10.163 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.537 8.450 -9.456 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.733 9.025 -11.081 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.374 7.895 -10.870 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.088 8.703 -9.454 1.00 0.00 H new ATOM 627 N PHE A 38 0.395 12.400 -6.252 1.00 0.00 N ATOM 628 CA PHE A 38 -0.018 13.444 -5.271 1.00 0.00 C ATOM 629 C PHE A 38 1.208 13.904 -4.469 1.00 0.00 C ATOM 630 O PHE A 38 1.786 13.128 -3.735 1.00 0.00 O ATOM 631 CB PHE A 38 -1.061 12.859 -4.316 1.00 0.00 C ATOM 632 CG PHE A 38 -1.926 11.871 -5.063 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.951 12.330 -5.899 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.702 10.497 -4.919 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.751 11.412 -6.592 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.502 9.581 -5.611 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.526 10.038 -6.448 1.00 0.00 C ATOM 0 H PHE A 38 0.823 11.567 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.446 14.295 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.568 12.367 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.677 13.656 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.125 13.390 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.911 10.144 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.542 11.765 -7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.329 8.521 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.143 9.331 -6.983 1.00 0.00 H new ATOM 647 N PRO A 39 1.571 15.153 -4.633 1.00 0.00 N ATOM 648 CA PRO A 39 2.728 15.739 -3.933 1.00 0.00 C ATOM 649 C PRO A 39 2.375 16.062 -2.476 1.00 0.00 C ATOM 650 O PRO A 39 3.234 16.376 -1.677 1.00 0.00 O ATOM 651 CB PRO A 39 3.016 17.018 -4.724 1.00 0.00 C ATOM 652 CG PRO A 39 1.703 17.385 -5.454 1.00 0.00 C ATOM 653 CD PRO A 39 0.866 16.096 -5.526 1.00 0.00 C ATOM 0 HA PRO A 39 3.585 15.067 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.329 17.823 -4.060 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.825 16.860 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.166 18.166 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.909 17.770 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.158 16.268 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.811 15.713 -6.545 1.00 0.00 H new ATOM 661 N TYR A 40 1.120 15.989 -2.124 1.00 0.00 N ATOM 662 CA TYR A 40 0.722 16.294 -0.720 1.00 0.00 C ATOM 663 C TYR A 40 1.484 15.374 0.239 1.00 0.00 C ATOM 664 O TYR A 40 1.820 15.754 1.343 1.00 0.00 O ATOM 665 CB TYR A 40 -0.782 16.072 -0.554 1.00 0.00 C ATOM 666 CG TYR A 40 -1.153 16.189 0.905 1.00 0.00 C ATOM 667 CD1 TYR A 40 -0.924 15.115 1.772 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.727 17.370 1.392 1.00 0.00 C ATOM 669 CE1 TYR A 40 -1.268 15.220 3.125 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.071 17.476 2.745 1.00 0.00 C ATOM 671 CZ TYR A 40 -1.842 16.400 3.611 1.00 0.00 C ATOM 672 OH TYR A 40 -2.181 16.504 4.945 1.00 0.00 O ATOM 0 H TYR A 40 0.354 15.732 -2.747 1.00 0.00 H new ATOM 0 HA TYR A 40 0.961 17.333 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.335 16.806 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.059 15.088 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.481 14.204 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.904 18.199 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.090 14.391 3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.513 18.387 3.120 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.567 17.388 5.116 1.00 0.00 H new ATOM 682 N PHE A 41 1.763 14.168 -0.175 1.00 0.00 N ATOM 683 CA PHE A 41 2.504 13.228 0.713 1.00 0.00 C ATOM 684 C PHE A 41 3.961 13.676 0.831 1.00 0.00 C ATOM 685 O PHE A 41 4.739 13.100 1.567 1.00 0.00 O ATOM 686 CB PHE A 41 2.454 11.819 0.118 1.00 0.00 C ATOM 687 CG PHE A 41 1.075 11.240 0.312 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.649 10.857 1.589 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.221 11.087 -0.786 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.631 10.321 1.769 1.00 0.00 C ATOM 691 CE2 PHE A 41 -1.058 10.550 -0.608 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.485 10.167 0.670 1.00 0.00 C ATOM 0 H PHE A 41 1.510 13.793 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 41 2.043 13.225 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.700 11.852 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.198 11.183 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.309 10.975 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.550 11.384 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.960 10.026 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.716 10.431 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.473 9.753 0.808 1.00 0.00 H new ATOM 702 N ARG A 42 4.343 14.695 0.108 1.00 0.00 N ATOM 703 CA ARG A 42 5.752 15.172 0.177 1.00 0.00 C ATOM 704 C ARG A 42 5.890 16.221 1.284 1.00 0.00 C ATOM 705 O ARG A 42 6.562 17.221 1.125 1.00 0.00 O ATOM 706 CB ARG A 42 6.143 15.789 -1.168 1.00 0.00 C ATOM 707 CG ARG A 42 7.598 15.443 -1.486 1.00 0.00 C ATOM 708 CD ARG A 42 7.962 15.985 -2.869 1.00 0.00 C ATOM 709 NE ARG A 42 7.437 17.373 -3.011 1.00 0.00 N ATOM 710 CZ ARG A 42 6.998 17.789 -4.167 1.00 0.00 C ATOM 711 NH1 ARG A 42 5.825 17.407 -4.594 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.730 18.586 -4.895 1.00 0.00 N ATOM 0 H ARG A 42 3.739 15.217 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 42 6.410 14.331 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.489 15.415 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.015 16.871 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.258 15.871 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.740 14.363 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.044 15.978 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.542 15.345 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 42 7.421 17.997 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.253 16.784 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.481 17.732 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.646 18.884 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.386 18.911 -5.799 1.00 0.00 H new ATOM 726 N ARG A 43 5.263 15.999 2.407 1.00 0.00 N ATOM 727 CA ARG A 43 5.362 16.979 3.527 1.00 0.00 C ATOM 728 C ARG A 43 5.410 16.221 4.855 1.00 0.00 C ATOM 729 O ARG A 43 6.440 16.132 5.495 1.00 0.00 O ATOM 730 CB ARG A 43 4.144 17.905 3.508 1.00 0.00 C ATOM 731 CG ARG A 43 4.601 19.348 3.731 1.00 0.00 C ATOM 732 CD ARG A 43 3.561 20.311 3.154 1.00 0.00 C ATOM 733 NE ARG A 43 3.885 21.703 3.577 1.00 0.00 N ATOM 734 CZ ARG A 43 4.633 22.458 2.820 1.00 0.00 C ATOM 735 NH1 ARG A 43 4.115 23.062 1.786 1.00 0.00 N ATOM 736 NH2 ARG A 43 5.899 22.608 3.098 1.00 0.00 N ATOM 0 H ARG A 43 4.686 15.180 2.598 1.00 0.00 H new ATOM 0 HA ARG A 43 6.267 17.575 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.623 17.820 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.438 17.611 4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.735 19.537 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.567 19.512 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.551 20.243 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.564 20.037 3.500 1.00 0.00 H new ATOM 0 HE ARG A 43 3.522 22.066 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.125 22.944 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.700 23.652 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.303 22.135 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.485 23.198 2.507 1.00 0.00 H new ATOM 750 N ASN A 44 4.306 15.664 5.267 1.00 0.00 N ATOM 751 CA ASN A 44 4.288 14.898 6.548 1.00 0.00 C ATOM 752 C ASN A 44 4.364 13.404 6.229 1.00 0.00 C ATOM 753 O ASN A 44 3.393 12.683 6.346 1.00 0.00 O ATOM 754 CB ASN A 44 2.999 15.194 7.326 1.00 0.00 C ATOM 755 CG ASN A 44 1.879 15.582 6.358 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.008 14.785 6.067 1.00 0.00 O ATOM 757 ND2 ASN A 44 1.866 16.781 5.843 1.00 0.00 N ATOM 0 H ASN A 44 3.414 15.705 4.773 1.00 0.00 H new ATOM 0 HA ASN A 44 5.140 15.194 7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.704 14.318 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.172 16.002 8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.125 17.050 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.597 17.449 6.088 1.00 0.00 H new ATOM 764 N ALA A 45 5.512 12.941 5.816 1.00 0.00 N ATOM 765 CA ALA A 45 5.655 11.499 5.471 1.00 0.00 C ATOM 766 C ALA A 45 5.842 10.671 6.744 1.00 0.00 C ATOM 767 O ALA A 45 5.876 9.457 6.704 1.00 0.00 O ATOM 768 CB ALA A 45 6.873 11.315 4.563 1.00 0.00 C ATOM 0 H ALA A 45 6.358 13.500 5.703 1.00 0.00 H new ATOM 0 HA ALA A 45 4.755 11.163 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.981 10.261 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.738 11.897 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.769 11.656 5.082 1.00 0.00 H new ATOM 774 N ALA A 46 5.967 11.311 7.874 1.00 0.00 N ATOM 775 CA ALA A 46 6.156 10.549 9.141 1.00 0.00 C ATOM 776 C ALA A 46 4.816 9.975 9.604 1.00 0.00 C ATOM 777 O ALA A 46 4.767 9.050 10.391 1.00 0.00 O ATOM 778 CB ALA A 46 6.708 11.482 10.220 1.00 0.00 C ATOM 0 H ALA A 46 5.947 12.326 7.975 1.00 0.00 H new ATOM 0 HA ALA A 46 6.858 9.733 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.846 10.925 11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.666 11.888 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.006 12.299 10.389 1.00 0.00 H new ATOM 784 N THR A 47 3.727 10.517 9.132 1.00 0.00 N ATOM 785 CA THR A 47 2.394 10.002 9.561 1.00 0.00 C ATOM 786 C THR A 47 1.909 8.905 8.604 1.00 0.00 C ATOM 787 O THR A 47 1.515 7.835 9.025 1.00 0.00 O ATOM 788 CB THR A 47 1.385 11.152 9.565 1.00 0.00 C ATOM 789 OG1 THR A 47 1.983 12.303 10.145 1.00 0.00 O ATOM 790 CG2 THR A 47 0.153 10.749 10.378 1.00 0.00 C ATOM 0 H THR A 47 3.701 11.292 8.470 1.00 0.00 H new ATOM 0 HA THR A 47 2.485 9.581 10.562 1.00 0.00 H new ATOM 0 HB THR A 47 1.084 11.376 8.541 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.338 13.041 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.565 11.569 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.305 9.866 9.931 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.451 10.524 11.402 1.00 0.00 H new ATOM 798 N TRP A 48 1.912 9.165 7.323 1.00 0.00 N ATOM 799 CA TRP A 48 1.424 8.138 6.352 1.00 0.00 C ATOM 800 C TRP A 48 2.361 6.919 6.342 1.00 0.00 C ATOM 801 O TRP A 48 1.917 5.789 6.390 1.00 0.00 O ATOM 802 CB TRP A 48 1.321 8.767 4.950 1.00 0.00 C ATOM 803 CG TRP A 48 2.610 8.643 4.202 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.410 9.680 3.883 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.245 7.450 3.654 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.510 9.204 3.196 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.453 7.836 3.025 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.900 6.086 3.646 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.288 6.903 2.411 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.738 5.145 3.024 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.930 5.553 2.410 1.00 0.00 C ATOM 0 H TRP A 48 2.230 10.040 6.907 1.00 0.00 H new ATOM 0 HA TRP A 48 0.435 7.794 6.656 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.524 8.280 4.388 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.050 9.819 5.040 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.222 10.715 4.125 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.271 9.792 2.857 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.986 5.760 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.206 7.222 1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.462 4.101 3.019 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.571 4.824 1.937 1.00 0.00 H new ATOM 822 N LYS A 49 3.646 7.134 6.280 1.00 0.00 N ATOM 823 CA LYS A 49 4.595 5.984 6.271 1.00 0.00 C ATOM 824 C LYS A 49 4.423 5.170 7.556 1.00 0.00 C ATOM 825 O LYS A 49 4.618 3.971 7.573 1.00 0.00 O ATOM 826 CB LYS A 49 6.031 6.507 6.186 1.00 0.00 C ATOM 827 CG LYS A 49 6.844 5.623 5.236 1.00 0.00 C ATOM 828 CD LYS A 49 8.045 5.038 5.983 1.00 0.00 C ATOM 829 CE LYS A 49 9.300 5.847 5.649 1.00 0.00 C ATOM 830 NZ LYS A 49 9.536 5.811 4.178 1.00 0.00 N ATOM 0 H LYS A 49 4.080 8.056 6.235 1.00 0.00 H new ATOM 0 HA LYS A 49 4.388 5.350 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.033 7.538 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.487 6.510 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.219 4.820 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.184 6.207 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.863 5.057 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.187 3.994 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.182 6.877 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.161 5.437 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.557 5.746 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.056 4.984 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.159 6.678 3.745 1.00 0.00 H new ATOM 844 N ASN A 50 4.057 5.811 8.633 1.00 0.00 N ATOM 845 CA ASN A 50 3.873 5.073 9.915 1.00 0.00 C ATOM 846 C ASN A 50 2.582 4.252 9.847 1.00 0.00 C ATOM 847 O ASN A 50 2.529 3.123 10.293 1.00 0.00 O ATOM 848 CB ASN A 50 3.784 6.071 11.072 1.00 0.00 C ATOM 849 CG ASN A 50 5.143 6.166 11.768 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.975 5.292 11.624 1.00 0.00 O ATOM 851 ND2 ASN A 50 5.407 7.198 12.523 1.00 0.00 N ATOM 0 H ASN A 50 3.877 6.814 8.680 1.00 0.00 H new ATOM 0 HA ASN A 50 4.721 4.407 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.485 7.051 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.021 5.754 11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.311 7.270 12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.710 7.932 12.645 1.00 0.00 H new ATOM 858 N ALA A 51 1.541 4.811 9.289 1.00 0.00 N ATOM 859 CA ALA A 51 0.257 4.063 9.189 1.00 0.00 C ATOM 860 C ALA A 51 0.473 2.802 8.352 1.00 0.00 C ATOM 861 O ALA A 51 -0.060 1.750 8.644 1.00 0.00 O ATOM 862 CB ALA A 51 -0.797 4.947 8.519 1.00 0.00 C ATOM 0 H ALA A 51 1.526 5.753 8.899 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.085 3.786 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.737 4.400 8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.947 5.848 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.459 5.223 7.520 1.00 0.00 H new ATOM 868 N VAL A 52 1.259 2.899 7.316 1.00 0.00 N ATOM 869 CA VAL A 52 1.518 1.707 6.462 1.00 0.00 C ATOM 870 C VAL A 52 2.169 0.615 7.314 1.00 0.00 C ATOM 871 O VAL A 52 1.751 -0.527 7.303 1.00 0.00 O ATOM 872 CB VAL A 52 2.453 2.105 5.315 1.00 0.00 C ATOM 873 CG1 VAL A 52 3.064 0.853 4.681 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.654 2.871 4.257 1.00 0.00 C ATOM 0 H VAL A 52 1.734 3.753 7.024 1.00 0.00 H new ATOM 0 HA VAL A 52 0.583 1.331 6.048 1.00 0.00 H new ATOM 0 HB VAL A 52 3.253 2.735 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.727 1.144 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.632 0.305 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.269 0.217 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.315 3.157 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.855 2.236 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.223 3.766 4.704 1.00 0.00 H new ATOM 884 N ARG A 53 3.186 0.958 8.057 1.00 0.00 N ATOM 885 CA ARG A 53 3.859 -0.058 8.912 1.00 0.00 C ATOM 886 C ARG A 53 2.825 -0.707 9.835 1.00 0.00 C ATOM 887 O ARG A 53 2.735 -1.915 9.930 1.00 0.00 O ATOM 888 CB ARG A 53 4.939 0.623 9.755 1.00 0.00 C ATOM 889 CG ARG A 53 5.813 -0.439 10.423 1.00 0.00 C ATOM 890 CD ARG A 53 7.109 0.206 10.919 1.00 0.00 C ATOM 891 NE ARG A 53 8.274 -0.590 10.443 1.00 0.00 N ATOM 892 CZ ARG A 53 8.268 -1.889 10.560 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.991 -2.440 11.709 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.540 -2.638 9.526 1.00 0.00 N ATOM 0 H ARG A 53 3.579 1.898 8.108 1.00 0.00 H new ATOM 0 HA ARG A 53 4.317 -0.821 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.551 1.270 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.478 1.258 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.278 -0.894 11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.039 -1.237 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.181 1.230 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.109 0.256 12.008 1.00 0.00 H new ATOM 0 HE ARG A 53 9.077 -0.119 10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.779 -1.855 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.987 -3.456 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.757 -2.207 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.535 -3.654 9.617 1.00 0.00 H new ATOM 908 N HIS A 54 2.043 0.086 10.518 1.00 0.00 N ATOM 909 CA HIS A 54 1.016 -0.487 11.432 1.00 0.00 C ATOM 910 C HIS A 54 0.034 -1.337 10.625 1.00 0.00 C ATOM 911 O HIS A 54 -0.099 -2.525 10.841 1.00 0.00 O ATOM 912 CB HIS A 54 0.257 0.649 12.121 1.00 0.00 C ATOM 913 CG HIS A 54 -0.939 0.090 12.841 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.229 0.528 12.584 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.057 -0.868 13.818 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.059 -0.159 13.390 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.395 -1.024 14.163 1.00 0.00 N ATOM 0 H HIS A 54 2.072 1.105 10.482 1.00 0.00 H new ATOM 0 HA HIS A 54 1.504 -1.108 12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.911 1.163 12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.061 1.387 11.385 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.235 -1.417 14.253 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.131 -0.028 13.410 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.786 -1.661 14.857 1.00 0.00 H new ATOM 925 N ASN A 55 -0.656 -0.738 9.693 1.00 0.00 N ATOM 926 CA ASN A 55 -1.628 -1.510 8.871 1.00 0.00 C ATOM 927 C ASN A 55 -0.913 -2.694 8.214 1.00 0.00 C ATOM 928 O ASN A 55 -1.501 -3.723 7.950 1.00 0.00 O ATOM 929 CB ASN A 55 -2.207 -0.601 7.783 1.00 0.00 C ATOM 930 CG ASN A 55 -3.389 0.189 8.351 1.00 0.00 C ATOM 931 OD1 ASN A 55 -3.212 1.055 9.185 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.596 -0.075 7.930 1.00 0.00 N ATOM 0 H ASN A 55 -0.588 0.254 9.466 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.432 -1.878 9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.440 0.083 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.531 -1.198 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.391 0.446 8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.744 -0.802 7.230 1.00 0.00 H new ATOM 939 N LEU A 56 0.355 -2.550 7.940 1.00 0.00 N ATOM 940 CA LEU A 56 1.117 -3.654 7.288 1.00 0.00 C ATOM 941 C LEU A 56 1.234 -4.857 8.230 1.00 0.00 C ATOM 942 O LEU A 56 1.134 -5.993 7.810 1.00 0.00 O ATOM 943 CB LEU A 56 2.520 -3.153 6.935 1.00 0.00 C ATOM 944 CG LEU A 56 2.507 -2.545 5.531 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.925 -2.120 5.145 1.00 0.00 C ATOM 946 CD2 LEU A 56 2.001 -3.588 4.531 1.00 0.00 C ATOM 0 H LEU A 56 0.899 -1.711 8.141 1.00 0.00 H new ATOM 0 HA LEU A 56 0.588 -3.964 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.846 -2.409 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.233 -3.976 6.980 1.00 0.00 H new ATOM 0 HG LEU A 56 1.850 -1.675 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.915 -1.687 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.290 -1.380 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.582 -2.990 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.991 -3.157 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.660 -4.456 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.991 -3.894 4.804 1.00 0.00 H new ATOM 958 N SER A 57 1.458 -4.625 9.494 1.00 0.00 N ATOM 959 CA SER A 57 1.597 -5.766 10.446 1.00 0.00 C ATOM 960 C SER A 57 0.219 -6.338 10.796 1.00 0.00 C ATOM 961 O SER A 57 0.037 -7.538 10.863 1.00 0.00 O ATOM 962 CB SER A 57 2.283 -5.280 11.723 1.00 0.00 C ATOM 963 OG SER A 57 3.429 -6.082 11.974 1.00 0.00 O ATOM 0 H SER A 57 1.551 -3.698 9.909 1.00 0.00 H new ATOM 0 HA SER A 57 2.196 -6.547 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.572 -4.234 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.593 -5.338 12.565 1.00 0.00 H new ATOM 0 HG SER A 57 3.872 -5.772 12.791 1.00 0.00 H new ATOM 969 N LEU A 58 -0.748 -5.496 11.035 1.00 0.00 N ATOM 970 CA LEU A 58 -2.103 -6.005 11.397 1.00 0.00 C ATOM 971 C LEU A 58 -2.869 -6.427 10.135 1.00 0.00 C ATOM 972 O LEU A 58 -4.052 -6.701 10.183 1.00 0.00 O ATOM 973 CB LEU A 58 -2.881 -4.907 12.130 1.00 0.00 C ATOM 974 CG LEU A 58 -3.404 -3.879 11.124 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.910 -4.070 10.940 1.00 0.00 C ATOM 976 CD2 LEU A 58 -3.129 -2.467 11.648 1.00 0.00 C ATOM 0 H LEU A 58 -0.660 -4.481 10.996 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.994 -6.873 12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.713 -5.345 12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.236 -4.418 12.861 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.900 -4.016 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.285 -3.339 10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.106 -5.076 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.414 -3.932 11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.501 -1.734 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.634 -2.329 12.604 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.056 -2.331 11.781 1.00 0.00 H new ATOM 988 N HIS A 59 -2.210 -6.486 9.010 1.00 0.00 N ATOM 989 CA HIS A 59 -2.915 -6.893 7.762 1.00 0.00 C ATOM 990 C HIS A 59 -2.371 -8.244 7.287 1.00 0.00 C ATOM 991 O HIS A 59 -1.244 -8.352 6.843 1.00 0.00 O ATOM 992 CB HIS A 59 -2.685 -5.836 6.681 1.00 0.00 C ATOM 993 CG HIS A 59 -3.638 -4.684 6.877 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.844 -4.817 7.551 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.571 -3.367 6.491 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.445 -3.614 7.549 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.712 -2.694 6.917 1.00 0.00 N ATOM 0 H HIS A 59 -1.219 -6.271 8.901 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.983 -6.983 7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.656 -5.479 6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.830 -6.275 5.694 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -5.208 -5.672 7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.756 -2.921 5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.404 -3.416 8.004 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.163 -9.277 7.385 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.693 -10.624 6.951 1.00 0.00 C ATOM 1007 C LYS A 60 -2.779 -10.750 5.429 1.00 0.00 C ATOM 1008 O LYS A 60 -2.080 -11.541 4.827 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.569 -11.700 7.598 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.729 -12.951 7.866 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.132 -13.556 9.211 1.00 0.00 C ATOM 1012 CE LYS A 60 -2.064 -14.551 9.668 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.498 -15.191 10.942 1.00 0.00 N ATOM 0 H LYS A 60 -4.116 -9.246 7.747 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.656 -10.754 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.992 -11.327 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.406 -11.944 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.877 -13.679 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.669 -12.696 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.251 -12.768 9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.096 -14.057 9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.907 -15.310 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.112 -14.040 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.773 -15.868 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.627 -14.461 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.397 -15.692 10.790 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.624 -9.984 4.793 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.728 -10.088 3.311 1.00 0.00 C ATOM 1029 C TYR A 61 -2.480 -9.477 2.669 1.00 0.00 C ATOM 1030 O TYR A 61 -2.274 -9.572 1.476 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.984 -9.361 2.819 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.932 -7.907 3.217 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.125 -7.016 2.501 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.698 -7.448 4.295 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.083 -5.665 2.864 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.657 -6.097 4.657 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.850 -5.205 3.941 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.811 -3.872 4.297 1.00 0.00 O ATOM 0 H TYR A 61 -4.240 -9.298 5.230 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.801 -11.138 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.062 -9.447 1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.873 -9.830 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.535 -7.371 1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.320 -8.136 4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.459 -4.977 2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.248 -5.743 5.489 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.006 -3.457 3.923 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.634 -8.869 3.457 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.387 -8.274 2.897 1.00 0.00 C ATOM 1050 C PHE A 62 0.729 -9.315 2.989 1.00 0.00 C ATOM 1051 O PHE A 62 1.062 -9.781 4.061 1.00 0.00 O ATOM 1052 CB PHE A 62 0.006 -7.042 3.713 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.583 -5.800 3.088 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.462 -5.580 1.711 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.247 -4.866 3.891 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.006 -4.424 1.137 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.792 -3.711 3.317 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.671 -3.489 1.940 1.00 0.00 C ATOM 0 H PHE A 62 -1.753 -8.759 4.464 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.548 -7.981 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.349 -7.146 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.092 -6.957 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.050 -6.301 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.339 -5.036 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.913 -4.254 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.306 -2.991 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.090 -2.597 1.497 1.00 0.00 H new ATOM 1068 N VAL A 63 1.306 -9.695 1.883 1.00 0.00 N ATOM 1069 CA VAL A 63 2.390 -10.715 1.937 1.00 0.00 C ATOM 1070 C VAL A 63 3.673 -10.139 1.341 1.00 0.00 C ATOM 1071 O VAL A 63 3.648 -9.183 0.590 1.00 0.00 O ATOM 1072 CB VAL A 63 1.968 -11.950 1.140 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.971 -13.080 1.379 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.578 -12.399 1.596 1.00 0.00 C ATOM 0 H VAL A 63 1.077 -9.347 0.952 1.00 0.00 H new ATOM 0 HA VAL A 63 2.569 -10.994 2.975 1.00 0.00 H new ATOM 0 HB VAL A 63 1.943 -11.706 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.670 -13.960 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.962 -12.761 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.997 -13.325 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.276 -13.279 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.605 -12.643 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.138 -11.595 1.427 1.00 0.00 H new ATOM 1084 N ARG A 64 4.796 -10.716 1.669 1.00 0.00 N ATOM 1085 CA ARG A 64 6.086 -10.210 1.123 1.00 0.00 C ATOM 1086 C ARG A 64 6.802 -11.347 0.393 1.00 0.00 C ATOM 1087 O ARG A 64 7.221 -12.316 0.994 1.00 0.00 O ATOM 1088 CB ARG A 64 6.961 -9.706 2.272 1.00 0.00 C ATOM 1089 CG ARG A 64 7.195 -10.842 3.271 1.00 0.00 C ATOM 1090 CD ARG A 64 8.683 -11.191 3.308 1.00 0.00 C ATOM 1091 NE ARG A 64 9.479 -9.951 3.524 1.00 0.00 N ATOM 1092 CZ ARG A 64 9.924 -9.663 4.716 1.00 0.00 C ATOM 1093 NH1 ARG A 64 10.984 -10.266 5.179 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.309 -8.772 5.445 1.00 0.00 N ATOM 0 H ARG A 64 4.876 -11.519 2.294 1.00 0.00 H new ATOM 0 HA ARG A 64 5.897 -9.392 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.914 -9.345 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.478 -8.864 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.856 -10.544 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.612 -11.718 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.880 -11.906 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.979 -11.668 2.373 1.00 0.00 H new ATOM 0 HE ARG A 64 9.676 -9.328 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.464 -10.962 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.332 -10.041 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.480 -8.301 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.657 -8.547 6.377 1.00 0.00 H new ATOM 1108 N VAL A 65 6.938 -11.242 -0.901 1.00 0.00 N ATOM 1109 CA VAL A 65 7.615 -12.322 -1.666 1.00 0.00 C ATOM 1110 C VAL A 65 9.131 -12.209 -1.497 1.00 0.00 C ATOM 1111 O VAL A 65 9.803 -11.550 -2.266 1.00 0.00 O ATOM 1112 CB VAL A 65 7.262 -12.201 -3.148 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.966 -13.314 -3.928 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.748 -12.337 -3.325 1.00 0.00 C ATOM 0 H VAL A 65 6.609 -10.454 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 65 7.280 -13.288 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 65 7.586 -11.230 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.716 -13.231 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.045 -13.221 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.639 -14.284 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.496 -12.251 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.424 -13.309 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.244 -11.548 -2.766 1.00 0.00 H new ATOM 1124 N GLU A 66 9.676 -12.849 -0.500 1.00 0.00 N ATOM 1125 CA GLU A 66 11.144 -12.784 -0.288 1.00 0.00 C ATOM 1126 C GLU A 66 11.830 -13.820 -1.181 1.00 0.00 C ATOM 1127 O GLU A 66 11.986 -14.966 -0.808 1.00 0.00 O ATOM 1128 CB GLU A 66 11.461 -13.078 1.178 1.00 0.00 C ATOM 1129 CG GLU A 66 12.821 -12.477 1.534 1.00 0.00 C ATOM 1130 CD GLU A 66 12.937 -12.339 3.054 1.00 0.00 C ATOM 1131 OE1 GLU A 66 12.109 -12.909 3.745 1.00 0.00 O ATOM 1132 OE2 GLU A 66 13.851 -11.665 3.499 1.00 0.00 O ATOM 0 H GLU A 66 9.165 -13.415 0.177 1.00 0.00 H new ATOM 0 HA GLU A 66 11.507 -11.788 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.686 -12.659 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.470 -14.154 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.622 -13.112 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.935 -11.502 1.060 1.00 0.00 H new ATOM 1139 N ASN A 67 12.239 -13.429 -2.358 1.00 0.00 N ATOM 1140 CA ASN A 67 12.908 -14.391 -3.269 1.00 0.00 C ATOM 1141 C ASN A 67 14.248 -13.817 -3.733 1.00 0.00 C ATOM 1142 O ASN A 67 14.506 -12.636 -3.606 1.00 0.00 O ATOM 1143 CB ASN A 67 12.018 -14.650 -4.487 1.00 0.00 C ATOM 1144 CG ASN A 67 10.822 -15.511 -4.077 1.00 0.00 C ATOM 1145 OD1 ASN A 67 10.171 -15.236 -3.089 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.502 -16.550 -4.800 1.00 0.00 N ATOM 0 H ASN A 67 12.137 -12.483 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 67 13.079 -15.327 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.672 -13.704 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.590 -15.152 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.706 -17.130 -4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.048 -16.782 -5.630 1.00 0.00 H new ATOM 1153 N VAL A 68 15.101 -14.643 -4.271 1.00 0.00 N ATOM 1154 CA VAL A 68 16.423 -14.146 -4.745 1.00 0.00 C ATOM 1155 C VAL A 68 16.227 -12.850 -5.534 1.00 0.00 C ATOM 1156 O VAL A 68 16.964 -11.897 -5.373 1.00 0.00 O ATOM 1157 CB VAL A 68 17.069 -15.199 -5.646 1.00 0.00 C ATOM 1158 CG1 VAL A 68 17.442 -16.427 -4.813 1.00 0.00 C ATOM 1159 CG2 VAL A 68 16.082 -15.608 -6.742 1.00 0.00 C ATOM 0 H VAL A 68 14.940 -15.641 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 68 17.069 -13.955 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 68 17.968 -14.783 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.902 -17.177 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.146 -16.137 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.544 -16.843 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.542 -16.359 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.183 -16.023 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.817 -14.734 -7.337 1.00 0.00 H new ATOM 1169 N LYS A 69 15.241 -12.806 -6.387 1.00 0.00 N ATOM 1170 CA LYS A 69 15.003 -11.572 -7.186 1.00 0.00 C ATOM 1171 C LYS A 69 14.874 -10.370 -6.247 1.00 0.00 C ATOM 1172 O LYS A 69 15.034 -9.236 -6.653 1.00 0.00 O ATOM 1173 CB LYS A 69 13.716 -11.729 -8.002 1.00 0.00 C ATOM 1174 CG LYS A 69 12.526 -11.921 -7.060 1.00 0.00 C ATOM 1175 CD LYS A 69 11.291 -12.314 -7.875 1.00 0.00 C ATOM 1176 CE LYS A 69 10.043 -12.231 -6.993 1.00 0.00 C ATOM 1177 NZ LYS A 69 9.020 -11.378 -7.662 1.00 0.00 N ATOM 0 H LYS A 69 14.590 -13.571 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 69 15.842 -11.412 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.560 -10.849 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.802 -12.584 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.751 -12.693 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.333 -11.001 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.185 -11.652 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.407 -13.326 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.642 -13.229 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.300 -11.814 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.171 -11.320 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.406 -10.423 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.768 -11.794 -8.581 1.00 0.00 H new ATOM 1191 N GLY A 70 14.590 -10.607 -4.995 1.00 0.00 N ATOM 1192 CA GLY A 70 14.457 -9.481 -4.038 1.00 0.00 C ATOM 1193 C GLY A 70 13.121 -9.582 -3.298 1.00 0.00 C ATOM 1194 O GLY A 70 12.184 -10.195 -3.769 1.00 0.00 O ATOM 0 H GLY A 70 14.445 -11.535 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.280 -9.500 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.517 -8.531 -4.570 1.00 0.00 H new ATOM 1198 N ALA A 71 13.029 -8.983 -2.141 1.00 0.00 N ATOM 1199 CA ALA A 71 11.763 -9.040 -1.367 1.00 0.00 C ATOM 1200 C ALA A 71 10.827 -7.919 -1.823 1.00 0.00 C ATOM 1201 O ALA A 71 11.236 -6.789 -2.005 1.00 0.00 O ATOM 1202 CB ALA A 71 12.068 -8.878 0.124 1.00 0.00 C ATOM 0 H ALA A 71 13.782 -8.455 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 71 11.280 -10.002 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.139 -8.920 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.729 -9.681 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.554 -7.917 0.294 1.00 0.00 H new ATOM 1208 N VAL A 72 9.571 -8.223 -2.006 1.00 0.00 N ATOM 1209 CA VAL A 72 8.606 -7.178 -2.449 1.00 0.00 C ATOM 1210 C VAL A 72 7.339 -7.259 -1.594 1.00 0.00 C ATOM 1211 O VAL A 72 7.125 -8.212 -0.871 1.00 0.00 O ATOM 1212 CB VAL A 72 8.239 -7.410 -3.917 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.369 -6.901 -4.815 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.032 -8.907 -4.161 1.00 0.00 C ATOM 0 H VAL A 72 9.171 -9.151 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 72 9.062 -6.194 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 72 7.320 -6.872 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.106 -7.067 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.518 -5.835 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.289 -7.438 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.771 -9.073 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.951 -9.444 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.227 -9.272 -3.523 1.00 0.00 H new ATOM 1224 N TRP A 73 6.490 -6.273 -1.684 1.00 0.00 N ATOM 1225 CA TRP A 73 5.233 -6.302 -0.894 1.00 0.00 C ATOM 1226 C TRP A 73 4.098 -6.728 -1.819 1.00 0.00 C ATOM 1227 O TRP A 73 3.985 -6.247 -2.927 1.00 0.00 O ATOM 1228 CB TRP A 73 4.930 -4.914 -0.319 1.00 0.00 C ATOM 1229 CG TRP A 73 5.681 -4.723 0.960 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.713 -3.866 1.131 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.478 -5.382 2.243 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.156 -3.956 2.437 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.427 -4.877 3.164 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.571 -6.358 2.694 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.475 -5.326 4.485 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.616 -6.811 4.022 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.567 -6.296 4.916 1.00 0.00 C ATOM 0 H TRP A 73 6.615 -5.449 -2.272 1.00 0.00 H new ATOM 0 HA TRP A 73 5.337 -7.003 -0.066 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.212 -4.143 -1.036 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.860 -4.809 -0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.124 -3.217 0.371 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.928 -3.409 2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.835 -6.762 2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.209 -4.926 5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.914 -7.560 4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.597 -6.649 5.936 1.00 0.00 H new ATOM 1248 N THR A 74 3.264 -7.636 -1.393 1.00 0.00 N ATOM 1249 CA THR A 74 2.168 -8.084 -2.281 1.00 0.00 C ATOM 1250 C THR A 74 0.873 -8.262 -1.492 1.00 0.00 C ATOM 1251 O THR A 74 0.877 -8.424 -0.287 1.00 0.00 O ATOM 1252 CB THR A 74 2.566 -9.409 -2.926 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.645 -9.733 -3.957 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.563 -10.515 -1.869 1.00 0.00 C ATOM 0 H THR A 74 3.297 -8.081 -0.476 1.00 0.00 H new ATOM 0 HA THR A 74 1.999 -7.329 -3.049 1.00 0.00 H new ATOM 0 HB THR A 74 3.566 -9.318 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.208 -8.915 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.847 -11.460 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.275 -10.267 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.565 -10.606 -1.441 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.240 -8.235 -2.174 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.549 -8.404 -1.489 1.00 0.00 C ATOM 1264 C VAL A 75 -2.236 -9.657 -2.030 1.00 0.00 C ATOM 1265 O VAL A 75 -2.114 -9.989 -3.193 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.423 -7.179 -1.761 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.540 -7.106 -0.721 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.567 -5.914 -1.677 1.00 0.00 C ATOM 0 H VAL A 75 -0.297 -8.102 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.397 -8.506 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.859 -7.259 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.162 -6.232 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.151 -8.007 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.105 -7.026 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.189 -5.040 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.131 -5.835 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.770 -5.964 -2.419 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.955 -10.362 -1.201 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.642 -11.596 -1.677 1.00 0.00 C ATOM 1280 C ASP A 76 -5.140 -11.329 -1.823 1.00 0.00 C ATOM 1281 O ASP A 76 -5.809 -10.953 -0.881 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.423 -12.724 -0.667 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.188 -14.038 -1.412 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -2.422 -14.029 -2.361 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.777 -15.033 -1.021 1.00 0.00 O ATOM 0 H ASP A 76 -3.097 -10.138 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.231 -11.886 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.567 -12.496 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.291 -12.815 -0.013 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.675 -11.525 -2.997 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.132 -11.289 -3.199 1.00 0.00 C ATOM 1292 C GLU A 77 -7.921 -12.263 -2.325 1.00 0.00 C ATOM 1293 O GLU A 77 -9.051 -12.008 -1.958 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.488 -11.518 -4.669 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.096 -12.940 -5.076 1.00 0.00 C ATOM 1296 CD GLU A 77 -7.521 -13.194 -6.523 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.513 -12.250 -7.296 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -7.846 -14.328 -6.834 1.00 0.00 O ATOM 0 H GLU A 77 -5.167 -11.838 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.380 -10.264 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.556 -11.366 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.969 -10.793 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.019 -13.075 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.572 -13.663 -4.414 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.331 -13.376 -1.989 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.040 -14.368 -1.138 1.00 0.00 C ATOM 1307 C VAL A 78 -8.246 -13.778 0.257 1.00 0.00 C ATOM 1308 O VAL A 78 -9.356 -13.649 0.732 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.200 -15.641 -1.031 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -7.870 -16.616 -0.061 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.085 -16.293 -2.411 1.00 0.00 C ATOM 0 H VAL A 78 -6.386 -13.641 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.006 -14.607 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.205 -15.389 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.271 -17.523 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.952 -16.152 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.865 -16.868 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.486 -17.201 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.080 -16.544 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.607 -15.599 -3.102 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.180 -13.422 0.917 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.302 -12.843 2.279 1.00 0.00 C ATOM 1323 C GLU A 79 -7.945 -11.456 2.193 1.00 0.00 C ATOM 1324 O GLU A 79 -8.777 -11.097 3.002 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.912 -12.721 2.905 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.049 -12.415 4.397 1.00 0.00 C ATOM 1327 CD GLU A 79 -5.363 -13.515 5.208 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -4.190 -13.753 4.972 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.021 -14.100 6.052 1.00 0.00 O ATOM 0 H GLU A 79 -6.226 -13.509 0.568 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.925 -13.493 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.355 -13.647 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.347 -11.930 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.600 -11.448 4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.102 -12.350 4.671 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.561 -10.673 1.223 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.145 -9.309 1.091 1.00 0.00 C ATOM 1338 C PHE A 80 -9.659 -9.415 0.887 1.00 0.00 C ATOM 1339 O PHE A 80 -10.423 -8.648 1.437 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.514 -8.600 -0.108 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.875 -7.135 -0.075 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.206 -6.736 -0.249 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.877 -6.174 0.129 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.539 -5.377 -0.219 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.210 -4.814 0.159 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.541 -4.416 -0.016 1.00 0.00 C ATOM 0 H PHE A 80 -6.868 -10.919 0.516 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.944 -8.739 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.431 -8.719 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.865 -9.051 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.976 -7.477 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.850 -6.482 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.566 -5.069 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.441 -4.073 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.798 -3.367 0.006 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.096 -10.358 0.097 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.559 -10.510 -0.145 1.00 0.00 C ATOM 1358 C GLN A 81 -12.240 -11.025 1.125 1.00 0.00 C ATOM 1359 O GLN A 81 -13.420 -10.821 1.334 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.782 -11.507 -1.285 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.282 -11.717 -1.498 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.579 -13.216 -1.584 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -12.993 -14.004 -0.869 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.472 -13.645 -2.434 1.00 0.00 N ATOM 0 H GLN A 81 -9.503 -11.029 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.985 -9.544 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.323 -11.136 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.301 -12.457 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.843 -11.271 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.604 -11.218 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.964 -12.983 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.678 -14.642 -2.498 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.510 -11.692 1.975 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.120 -12.221 3.229 1.00 0.00 C ATOM 1375 C LYS A 82 -13.009 -11.148 3.862 1.00 0.00 C ATOM 1376 O LYS A 82 -14.221 -11.249 3.855 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.014 -12.611 4.212 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.555 -13.634 5.214 1.00 0.00 C ATOM 1379 CD LYS A 82 -12.801 -13.067 5.902 1.00 0.00 C ATOM 1380 CE LYS A 82 -13.136 -13.918 7.128 1.00 0.00 C ATOM 1381 NZ LYS A 82 -12.120 -13.678 8.192 1.00 0.00 N ATOM 0 H LYS A 82 -10.517 -11.894 1.856 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.723 -13.098 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.165 -13.030 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.653 -11.727 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.801 -14.565 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.792 -13.870 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.627 -12.033 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.642 -13.061 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.131 -13.668 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.153 -14.974 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.524 -13.921 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.284 -14.270 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.842 -12.676 8.187 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.418 -10.123 4.413 1.00 0.00 N ATOM 1396 CA ARG A 83 -13.229 -9.049 5.051 1.00 0.00 C ATOM 1397 C ARG A 83 -14.219 -8.480 4.034 1.00 0.00 C ATOM 1398 O ARG A 83 -15.384 -8.290 4.326 1.00 0.00 O ATOM 1399 CB ARG A 83 -12.302 -7.933 5.540 1.00 0.00 C ATOM 1400 CG ARG A 83 -13.022 -7.102 6.605 1.00 0.00 C ATOM 1401 CD ARG A 83 -12.347 -7.316 7.960 1.00 0.00 C ATOM 1402 NE ARG A 83 -13.260 -6.863 9.047 1.00 0.00 N ATOM 1403 CZ ARG A 83 -14.532 -7.153 8.993 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -15.343 -6.402 8.300 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -14.991 -8.194 9.632 1.00 0.00 N ATOM 0 H ARG A 83 -11.408 -9.983 4.449 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.778 -9.464 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.388 -8.360 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.008 -7.297 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.996 -6.046 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.071 -7.391 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.100 -8.369 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.410 -6.761 8.003 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.892 -6.327 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.983 -5.589 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.337 -6.628 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.356 -8.781 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.985 -8.421 9.590 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.768 -8.205 2.842 1.00 0.00 N ATOM 1420 CA ARG A 84 -14.685 -7.648 1.810 1.00 0.00 C ATOM 1421 C ARG A 84 -15.807 -8.656 1.528 1.00 0.00 C ATOM 1422 O ARG A 84 -15.540 -9.792 1.193 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.900 -7.395 0.520 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.973 -6.192 0.710 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.647 -4.935 0.158 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.818 -3.741 0.487 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.369 -2.560 0.544 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.198 -2.272 1.511 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.093 -1.666 -0.365 1.00 0.00 N ATOM 0 H ARG A 84 -12.804 -8.342 2.538 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.114 -6.713 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.317 -8.278 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.587 -7.210 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.744 -6.060 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.026 -6.365 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.769 -5.020 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.644 -4.827 0.584 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.820 -3.847 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.415 -2.971 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.629 -1.348 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.446 -1.890 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.524 -0.743 -0.320 1.00 0.00 H new ATOM 1443 N PRO A 85 -17.035 -8.213 1.669 1.00 0.00 N ATOM 1444 CA PRO A 85 -18.214 -9.067 1.428 1.00 0.00 C ATOM 1445 C PRO A 85 -18.489 -9.197 -0.076 1.00 0.00 C ATOM 1446 O PRO A 85 -19.617 -9.105 -0.518 1.00 0.00 O ATOM 1447 CB PRO A 85 -19.350 -8.309 2.120 1.00 0.00 C ATOM 1448 CG PRO A 85 -18.898 -6.832 2.211 1.00 0.00 C ATOM 1449 CD PRO A 85 -17.362 -6.834 2.081 1.00 0.00 C ATOM 0 HA PRO A 85 -18.088 -10.083 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.277 -8.397 1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.542 -8.718 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.353 -6.238 1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -19.206 -6.390 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.024 -6.107 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.882 -6.576 3.025 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.470 -9.408 -0.864 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.675 -9.540 -2.332 1.00 0.00 C ATOM 1459 C GLN A 86 -18.497 -10.797 -2.624 1.00 0.00 C ATOM 1460 O GLN A 86 -19.119 -10.918 -3.661 1.00 0.00 O ATOM 1461 CB GLN A 86 -16.316 -9.650 -3.029 1.00 0.00 C ATOM 1462 CG GLN A 86 -16.525 -9.774 -4.538 1.00 0.00 C ATOM 1463 CD GLN A 86 -16.880 -8.404 -5.118 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -17.863 -7.805 -4.733 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -16.114 -7.880 -6.036 1.00 0.00 N ATOM 0 H GLN A 86 -16.503 -9.495 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.207 -8.664 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -15.709 -8.772 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -15.772 -10.517 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.621 -10.158 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -17.322 -10.487 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.288 -8.384 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -16.341 -6.967 -6.430 1.00 0.00 H new ATOM 1474 N LYS A 87 -18.503 -11.736 -1.719 1.00 0.00 N ATOM 1475 CA LYS A 87 -19.283 -12.985 -1.944 1.00 0.00 C ATOM 1476 C LYS A 87 -19.062 -13.942 -0.771 1.00 0.00 C ATOM 1477 O LYS A 87 -18.777 -13.462 0.314 1.00 0.00 O ATOM 1478 CB LYS A 87 -18.816 -13.650 -3.241 1.00 0.00 C ATOM 1479 CG LYS A 87 -20.027 -13.974 -4.117 1.00 0.00 C ATOM 1480 CD LYS A 87 -19.551 -14.349 -5.521 1.00 0.00 C ATOM 1481 CE LYS A 87 -20.680 -14.115 -6.526 1.00 0.00 C ATOM 1482 NZ LYS A 87 -20.105 -13.649 -7.820 1.00 0.00 N ATOM 1483 OXT LYS A 87 -19.181 -15.138 -0.978 1.00 0.00 O ATOM 0 H LYS A 87 -18.001 -11.692 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 87 -20.343 -12.744 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -18.134 -12.988 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.263 -14.562 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -20.595 -14.796 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -20.696 -13.115 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.680 -13.752 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.241 -15.394 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -21.244 -15.036 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -21.379 -13.374 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.872 -13.490 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.586 -12.761 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.455 -14.371 -8.191 1.00 0.00 H new TER 1497 LYS A 87