USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 Single : A 8 ASN : amide:sc= -0.573 K(o=-0.57,f=-0.05) USER MOD Single : A 10 SER OG : rot -113:sc= 2.04 USER MOD Single : A 16 THR OG1 : rot 72:sc= 1.29 USER MOD Single : A 22 TYR OH : rot 39:sc= 1.3 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0349 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2 K(o=-2,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.126 (180deg=-0.442) USER MOD Single : A 50 THR OG1 : rot -66:sc= 0.158 USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 1.99 (180deg=-0.399!) USER MOD Single : A 61 SER OG : rot 64:sc= 0.442 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc=-0.00617 (180deg=-0.128) USER MOD Single : A 74 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.86) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.312 K(o=0.31,f=-2.1) USER MOD Single : A 82 TYR OH : rot -100:sc= 0.584 USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= -2.17! (180deg=-2.47!) USER MOD Single : A 84 HIS : no HD1:sc= 0.525 K(o=0.53,f=-2!) USER MOD Single : A 91 TYR OH : rot 30:sc= 0.84 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0095 USER MOD Single : A 99 HIS : no HD1:sc= -0.758 K(o=-0.76,f=-5.7!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 1.16 K(o=1.2,f=-0.16) USER MOD Single : A 114 SER OG : rot -94:sc= 1.19 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -30:sc= 1.13 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 86:sc= 2.26 USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 124 SER OG : rot 91:sc= 1.24 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -8.099 5.107 -13.206 1.00 0.00 N ATOM 21 CA PRO A 2 -7.808 4.281 -12.049 1.00 0.00 C ATOM 22 C PRO A 2 -8.749 4.594 -10.892 1.00 0.00 C ATOM 23 O PRO A 2 -9.589 5.491 -10.990 1.00 0.00 O ATOM 24 CB PRO A 2 -6.380 4.695 -11.708 1.00 0.00 C ATOM 25 CG PRO A 2 -6.299 6.139 -12.098 1.00 0.00 C ATOM 26 CD PRO A 2 -7.370 6.384 -13.141 1.00 0.00 C ATOM 0 HA PRO A 2 -7.928 3.214 -12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.171 4.559 -10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.653 4.096 -12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.453 6.781 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.313 6.375 -12.497 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.027 7.205 -12.854 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.936 6.646 -14.106 1.00 0.00 H new ATOM 34 N VAL A 3 -8.620 3.858 -9.801 1.00 0.00 N ATOM 35 CA VAL A 3 -9.398 4.149 -8.610 1.00 0.00 C ATOM 36 C VAL A 3 -8.649 5.157 -7.750 1.00 0.00 C ATOM 37 O VAL A 3 -7.713 4.803 -7.035 1.00 0.00 O ATOM 38 CB VAL A 3 -9.691 2.880 -7.783 1.00 0.00 C ATOM 39 CG1 VAL A 3 -10.610 3.205 -6.613 1.00 0.00 C ATOM 40 CG2 VAL A 3 -10.298 1.794 -8.662 1.00 0.00 C ATOM 0 H VAL A 3 -7.989 3.061 -9.716 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.355 4.561 -8.931 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.749 2.505 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.806 2.298 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.132 3.944 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.551 3.606 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.497 0.908 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.231 2.155 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.601 1.541 -9.461 1.00 0.00 H new ATOM 50 N GLU A 4 -9.037 6.416 -7.848 1.00 0.00 N ATOM 51 CA GLU A 4 -8.357 7.474 -7.120 1.00 0.00 C ATOM 52 C GLU A 4 -9.329 8.250 -6.250 1.00 0.00 C ATOM 53 O GLU A 4 -10.538 8.243 -6.488 1.00 0.00 O ATOM 54 CB GLU A 4 -7.664 8.443 -8.084 1.00 0.00 C ATOM 55 CG GLU A 4 -8.611 9.079 -9.091 1.00 0.00 C ATOM 56 CD GLU A 4 -8.085 10.389 -9.637 1.00 0.00 C ATOM 57 OE1 GLU A 4 -7.185 10.363 -10.502 1.00 0.00 O ATOM 58 OE2 GLU A 4 -8.566 11.453 -9.195 1.00 0.00 O ATOM 0 H GLU A 4 -9.818 6.731 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.609 7.000 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.177 9.230 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.880 7.910 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.777 8.386 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.578 9.249 -8.618 1.00 0.00 H new ATOM 65 N LEU A 5 -8.792 8.908 -5.239 1.00 0.00 N ATOM 66 CA LEU A 5 -9.568 9.825 -4.431 1.00 0.00 C ATOM 67 C LEU A 5 -8.839 11.159 -4.374 1.00 0.00 C ATOM 68 O LEU A 5 -7.941 11.349 -3.557 1.00 0.00 O ATOM 69 CB LEU A 5 -9.738 9.259 -3.017 1.00 0.00 C ATOM 70 CG LEU A 5 -10.714 10.014 -2.114 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.137 9.871 -2.632 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.610 9.503 -0.686 1.00 0.00 C ATOM 0 H LEU A 5 -7.815 8.822 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.556 9.962 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.072 8.224 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.762 9.242 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.452 11.072 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.819 10.414 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.200 10.279 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.414 8.817 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.310 10.048 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.851 8.440 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.595 9.654 -0.319 1.00 0.00 H new ATOM 84 N ARG A 6 -9.220 12.080 -5.245 1.00 0.00 N ATOM 85 CA ARG A 6 -8.544 13.368 -5.330 1.00 0.00 C ATOM 86 C ARG A 6 -9.534 14.481 -5.609 1.00 0.00 C ATOM 87 O ARG A 6 -9.937 14.686 -6.756 1.00 0.00 O ATOM 88 CB ARG A 6 -7.488 13.351 -6.437 1.00 0.00 C ATOM 89 CG ARG A 6 -6.387 12.333 -6.223 1.00 0.00 C ATOM 90 CD ARG A 6 -5.423 12.294 -7.398 1.00 0.00 C ATOM 91 NE ARG A 6 -4.645 13.528 -7.523 1.00 0.00 N ATOM 92 CZ ARG A 6 -3.448 13.594 -8.106 1.00 0.00 C ATOM 93 NH1 ARG A 6 -2.921 12.514 -8.675 1.00 0.00 N ATOM 94 NH2 ARG A 6 -2.789 14.742 -8.143 1.00 0.00 N ATOM 0 H ARG A 6 -9.991 11.962 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.061 13.550 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.978 13.146 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.042 14.342 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.840 12.574 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.827 11.346 -6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.744 11.450 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.983 12.126 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.042 14.387 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.433 11.632 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.005 12.568 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.197 15.578 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.873 14.790 -8.590 1.00 0.00 H new ATOM 108 N ALA A 7 -9.921 15.183 -4.548 1.00 0.00 N ATOM 109 CA ALA A 7 -10.839 16.330 -4.620 1.00 0.00 C ATOM 110 C ALA A 7 -12.267 15.930 -5.012 1.00 0.00 C ATOM 111 O ALA A 7 -13.232 16.522 -4.538 1.00 0.00 O ATOM 112 CB ALA A 7 -10.304 17.389 -5.576 1.00 0.00 C ATOM 0 H ALA A 7 -9.606 14.974 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.892 16.747 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.998 18.229 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.332 17.737 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.198 16.960 -6.572 1.00 0.00 H new ATOM 118 N ASN A 8 -12.394 14.914 -5.852 1.00 0.00 N ATOM 119 CA ASN A 8 -13.688 14.470 -6.369 1.00 0.00 C ATOM 120 C ASN A 8 -14.426 13.612 -5.328 1.00 0.00 C ATOM 121 O ASN A 8 -15.277 12.795 -5.663 1.00 0.00 O ATOM 122 CB ASN A 8 -13.448 13.683 -7.666 1.00 0.00 C ATOM 123 CG ASN A 8 -14.686 13.535 -8.536 1.00 0.00 C ATOM 124 OD1 ASN A 8 -15.043 14.448 -9.283 1.00 0.00 O ATOM 125 ND2 ASN A 8 -15.322 12.376 -8.485 1.00 0.00 N ATOM 0 H ASN A 8 -11.603 14.370 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.320 15.333 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.668 14.181 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.073 12.691 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.137 12.215 -9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.997 11.643 -7.854 1.00 0.00 H new ATOM 132 N TRP A 9 -14.097 13.845 -4.063 1.00 0.00 N ATOM 133 CA TRP A 9 -14.653 13.119 -2.927 1.00 0.00 C ATOM 134 C TRP A 9 -16.183 13.066 -2.950 1.00 0.00 C ATOM 135 O TRP A 9 -16.856 14.097 -3.005 1.00 0.00 O ATOM 136 CB TRP A 9 -14.201 13.833 -1.663 1.00 0.00 C ATOM 137 CG TRP A 9 -13.966 12.942 -0.493 1.00 0.00 C ATOM 138 CD1 TRP A 9 -12.802 12.308 -0.193 1.00 0.00 C ATOM 139 CD2 TRP A 9 -14.896 12.600 0.537 1.00 0.00 C ATOM 140 NE1 TRP A 9 -12.946 11.582 0.963 1.00 0.00 N ATOM 141 CE2 TRP A 9 -14.224 11.750 1.434 1.00 0.00 C ATOM 142 CE3 TRP A 9 -16.229 12.933 0.792 1.00 0.00 C ATOM 143 CZ2 TRP A 9 -14.842 11.225 2.564 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -16.841 12.410 1.915 1.00 0.00 C ATOM 145 CH2 TRP A 9 -16.146 11.567 2.791 1.00 0.00 C ATOM 0 H TRP A 9 -13.421 14.560 -3.792 1.00 0.00 H new ATOM 0 HA TRP A 9 -14.299 12.089 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -13.281 14.376 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -14.953 14.574 -1.392 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.896 12.367 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.222 11.011 1.400 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.770 13.587 0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.310 10.570 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -17.872 12.655 2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -16.650 11.179 3.664 1.00 0.00 H new ATOM 156 N SER A 10 -16.720 11.858 -2.908 1.00 0.00 N ATOM 157 CA SER A 10 -18.153 11.649 -2.766 1.00 0.00 C ATOM 158 C SER A 10 -18.386 10.321 -2.058 1.00 0.00 C ATOM 159 O SER A 10 -17.423 9.621 -1.738 1.00 0.00 O ATOM 160 CB SER A 10 -18.837 11.639 -4.133 1.00 0.00 C ATOM 161 OG SER A 10 -18.457 10.495 -4.883 1.00 0.00 O ATOM 0 H SER A 10 -16.178 10.996 -2.971 1.00 0.00 H new ATOM 0 HA SER A 10 -18.579 12.464 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.919 11.650 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.573 12.543 -4.682 1.00 0.00 H new ATOM 0 HG SER A 10 -17.921 10.773 -5.655 1.00 0.00 H new ATOM 167 N GLU A 11 -19.645 9.970 -1.819 1.00 0.00 N ATOM 168 CA GLU A 11 -19.968 8.658 -1.272 1.00 0.00 C ATOM 169 C GLU A 11 -19.535 7.563 -2.239 1.00 0.00 C ATOM 170 O GLU A 11 -18.882 6.598 -1.846 1.00 0.00 O ATOM 171 CB GLU A 11 -21.465 8.541 -0.989 1.00 0.00 C ATOM 172 CG GLU A 11 -21.908 9.227 0.288 1.00 0.00 C ATOM 173 CD GLU A 11 -21.380 8.533 1.525 1.00 0.00 C ATOM 174 OE1 GLU A 11 -21.847 7.413 1.823 1.00 0.00 O ATOM 175 OE2 GLU A 11 -20.496 9.101 2.202 1.00 0.00 O ATOM 0 H GLU A 11 -20.452 10.570 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.428 8.539 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.017 8.966 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.732 7.486 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.565 10.262 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.997 9.253 0.325 1.00 0.00 H new ATOM 182 N GLU A 12 -19.877 7.734 -3.511 1.00 0.00 N ATOM 183 CA GLU A 12 -19.540 6.753 -4.534 1.00 0.00 C ATOM 184 C GLU A 12 -18.028 6.660 -4.705 1.00 0.00 C ATOM 185 O GLU A 12 -17.471 5.562 -4.748 1.00 0.00 O ATOM 186 CB GLU A 12 -20.201 7.123 -5.866 1.00 0.00 C ATOM 187 CG GLU A 12 -20.029 6.076 -6.960 1.00 0.00 C ATOM 188 CD GLU A 12 -20.642 4.738 -6.598 1.00 0.00 C ATOM 189 OE1 GLU A 12 -21.835 4.704 -6.245 1.00 0.00 O ATOM 190 OE2 GLU A 12 -19.938 3.712 -6.681 1.00 0.00 O ATOM 0 H GLU A 12 -20.389 8.545 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 12 -19.915 5.780 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -21.266 7.285 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.786 8.068 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.484 6.441 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.967 5.940 -7.162 1.00 0.00 H new ATOM 197 N ASP A 13 -17.370 7.816 -4.792 1.00 0.00 N ATOM 198 CA ASP A 13 -15.916 7.861 -4.941 1.00 0.00 C ATOM 199 C ASP A 13 -15.224 7.185 -3.768 1.00 0.00 C ATOM 200 O ASP A 13 -14.458 6.242 -3.956 1.00 0.00 O ATOM 201 CB ASP A 13 -15.413 9.304 -5.080 1.00 0.00 C ATOM 202 CG ASP A 13 -15.596 9.846 -6.484 1.00 0.00 C ATOM 203 OD1 ASP A 13 -16.697 10.344 -6.797 1.00 0.00 O ATOM 204 OD2 ASP A 13 -14.640 9.779 -7.285 1.00 0.00 O ATOM 0 H ASP A 13 -17.819 8.731 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.669 7.319 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.946 9.941 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.357 9.346 -4.812 1.00 0.00 H new ATOM 209 N LEU A 14 -15.524 7.646 -2.559 1.00 0.00 N ATOM 210 CA LEU A 14 -14.882 7.129 -1.354 1.00 0.00 C ATOM 211 C LEU A 14 -15.099 5.626 -1.215 1.00 0.00 C ATOM 212 O LEU A 14 -14.150 4.868 -1.030 1.00 0.00 O ATOM 213 CB LEU A 14 -15.429 7.837 -0.115 1.00 0.00 C ATOM 214 CG LEU A 14 -14.860 7.345 1.219 1.00 0.00 C ATOM 215 CD1 LEU A 14 -13.405 7.757 1.369 1.00 0.00 C ATOM 216 CD2 LEU A 14 -15.686 7.870 2.380 1.00 0.00 C ATOM 0 H LEU A 14 -16.211 8.380 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.812 7.320 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.227 8.904 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.512 7.718 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.909 6.256 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.021 7.397 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.819 7.326 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.329 8.844 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.265 7.509 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.673 8.960 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.713 7.518 2.284 1.00 0.00 H new ATOM 228 N GLU A 15 -16.351 5.207 -1.328 1.00 0.00 N ATOM 229 CA GLU A 15 -16.727 3.812 -1.127 1.00 0.00 C ATOM 230 C GLU A 15 -16.060 2.900 -2.156 1.00 0.00 C ATOM 231 O GLU A 15 -15.665 1.778 -1.834 1.00 0.00 O ATOM 232 CB GLU A 15 -18.243 3.691 -1.195 1.00 0.00 C ATOM 233 CG GLU A 15 -18.787 2.320 -0.845 1.00 0.00 C ATOM 234 CD GLU A 15 -20.294 2.268 -0.962 1.00 0.00 C ATOM 235 OE1 GLU A 15 -20.987 2.744 -0.038 1.00 0.00 O ATOM 236 OE2 GLU A 15 -20.800 1.753 -1.983 1.00 0.00 O ATOM 0 H GLU A 15 -17.133 5.820 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.381 3.491 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.683 4.424 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.569 3.950 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.345 1.574 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.492 2.060 0.172 1.00 0.00 H new ATOM 243 N THR A 16 -15.923 3.387 -3.383 1.00 0.00 N ATOM 244 CA THR A 16 -15.223 2.641 -4.417 1.00 0.00 C ATOM 245 C THR A 16 -13.746 2.496 -4.053 1.00 0.00 C ATOM 246 O THR A 16 -13.151 1.432 -4.240 1.00 0.00 O ATOM 247 CB THR A 16 -15.360 3.320 -5.797 1.00 0.00 C ATOM 248 OG1 THR A 16 -16.743 3.395 -6.161 1.00 0.00 O ATOM 249 CG2 THR A 16 -14.598 2.554 -6.870 1.00 0.00 C ATOM 0 H THR A 16 -16.286 4.291 -3.684 1.00 0.00 H new ATOM 0 HA THR A 16 -15.680 1.653 -4.481 1.00 0.00 H new ATOM 0 HB THR A 16 -14.936 4.322 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.192 4.065 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.715 3.058 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.541 2.514 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.992 1.540 -6.943 1.00 0.00 H new ATOM 257 N VAL A 17 -13.177 3.565 -3.506 1.00 0.00 N ATOM 258 CA VAL A 17 -11.793 3.560 -3.046 1.00 0.00 C ATOM 259 C VAL A 17 -11.599 2.520 -1.944 1.00 0.00 C ATOM 260 O VAL A 17 -10.654 1.731 -1.987 1.00 0.00 O ATOM 261 CB VAL A 17 -11.383 4.962 -2.536 1.00 0.00 C ATOM 262 CG1 VAL A 17 -9.997 4.946 -1.908 1.00 0.00 C ATOM 263 CG2 VAL A 17 -11.431 5.968 -3.675 1.00 0.00 C ATOM 0 H VAL A 17 -13.658 4.454 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.154 3.298 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.094 5.257 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.743 5.948 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.988 4.257 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.266 4.622 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.141 6.951 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.743 5.659 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.444 6.016 -4.076 1.00 0.00 H new ATOM 273 N ILE A 18 -12.513 2.508 -0.975 1.00 0.00 N ATOM 274 CA ILE A 18 -12.477 1.519 0.099 1.00 0.00 C ATOM 275 C ILE A 18 -12.502 0.116 -0.492 1.00 0.00 C ATOM 276 O ILE A 18 -11.656 -0.724 -0.185 1.00 0.00 O ATOM 277 CB ILE A 18 -13.688 1.641 1.053 1.00 0.00 C ATOM 278 CG1 ILE A 18 -14.021 3.103 1.377 1.00 0.00 C ATOM 279 CG2 ILE A 18 -13.423 0.862 2.331 1.00 0.00 C ATOM 280 CD1 ILE A 18 -12.921 3.858 2.085 1.00 0.00 C ATOM 0 H ILE A 18 -13.286 3.171 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.562 1.703 0.662 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.554 1.218 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.260 3.622 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.918 3.129 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.281 0.953 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -13.261 -0.189 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -12.537 1.262 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.245 4.882 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.696 3.369 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.027 3.869 1.461 1.00 0.00 H new ATOM 292 N ARG A 19 -13.482 -0.101 -1.362 1.00 0.00 N ATOM 293 CA ARG A 19 -13.742 -1.405 -1.962 1.00 0.00 C ATOM 294 C ARG A 19 -12.561 -1.899 -2.796 1.00 0.00 C ATOM 295 O ARG A 19 -12.292 -3.099 -2.851 1.00 0.00 O ATOM 296 CB ARG A 19 -14.993 -1.305 -2.836 1.00 0.00 C ATOM 297 CG ARG A 19 -15.379 -2.590 -3.550 1.00 0.00 C ATOM 298 CD ARG A 19 -16.570 -2.364 -4.469 1.00 0.00 C ATOM 299 NE ARG A 19 -17.727 -1.844 -3.739 1.00 0.00 N ATOM 300 CZ ARG A 19 -18.281 -0.651 -3.963 1.00 0.00 C ATOM 301 NH1 ARG A 19 -17.824 0.137 -4.930 1.00 0.00 N ATOM 302 NH2 ARG A 19 -19.305 -0.253 -3.228 1.00 0.00 N ATOM 0 H ARG A 19 -14.123 0.628 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.893 -2.127 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.829 -0.987 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.836 -0.525 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.532 -2.957 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.621 -3.359 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.293 -1.665 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.838 -3.302 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 19 -18.136 -2.431 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.042 -0.168 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.255 1.047 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.670 -0.857 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.730 0.659 -3.397 1.00 0.00 H new ATOM 316 N ALA A 20 -11.876 -0.974 -3.450 1.00 0.00 N ATOM 317 CA ALA A 20 -10.741 -1.324 -4.294 1.00 0.00 C ATOM 318 C ALA A 20 -9.575 -1.826 -3.451 1.00 0.00 C ATOM 319 O ALA A 20 -8.844 -2.732 -3.861 1.00 0.00 O ATOM 320 CB ALA A 20 -10.320 -0.131 -5.136 1.00 0.00 C ATOM 0 H ALA A 20 -12.085 0.024 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.045 -2.129 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.471 -0.408 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.151 0.179 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.035 0.693 -4.482 1.00 0.00 H new ATOM 326 N VAL A 21 -9.409 -1.235 -2.274 1.00 0.00 N ATOM 327 CA VAL A 21 -8.360 -1.653 -1.354 1.00 0.00 C ATOM 328 C VAL A 21 -8.718 -2.993 -0.716 1.00 0.00 C ATOM 329 O VAL A 21 -7.856 -3.871 -0.560 1.00 0.00 O ATOM 330 CB VAL A 21 -8.113 -0.602 -0.248 1.00 0.00 C ATOM 331 CG1 VAL A 21 -6.970 -1.028 0.659 1.00 0.00 C ATOM 332 CG2 VAL A 21 -7.823 0.758 -0.856 1.00 0.00 C ATOM 0 H VAL A 21 -9.987 -0.466 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.442 -1.756 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.019 -0.528 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.816 -0.272 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.214 -1.981 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.059 -1.137 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.652 1.483 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.935 0.693 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.673 1.075 -1.460 1.00 0.00 H new ATOM 342 N TYR A 22 -9.993 -3.141 -0.350 1.00 0.00 N ATOM 343 CA TYR A 22 -10.500 -4.390 0.207 1.00 0.00 C ATOM 344 C TYR A 22 -12.024 -4.348 0.300 1.00 0.00 C ATOM 345 O TYR A 22 -12.616 -3.275 0.428 1.00 0.00 O ATOM 346 CB TYR A 22 -9.902 -4.656 1.596 1.00 0.00 C ATOM 347 CG TYR A 22 -10.632 -3.977 2.739 1.00 0.00 C ATOM 348 CD1 TYR A 22 -10.744 -2.594 2.809 1.00 0.00 C ATOM 349 CD2 TYR A 22 -11.206 -4.734 3.751 1.00 0.00 C ATOM 350 CE1 TYR A 22 -11.406 -1.985 3.860 1.00 0.00 C ATOM 351 CE2 TYR A 22 -11.868 -4.135 4.802 1.00 0.00 C ATOM 352 CZ TYR A 22 -11.964 -2.762 4.856 1.00 0.00 C ATOM 353 OH TYR A 22 -12.616 -2.167 5.909 1.00 0.00 O ATOM 0 H TYR A 22 -10.694 -2.405 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.203 -5.200 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.896 -5.731 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.863 -4.326 1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.308 -1.985 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.133 -5.811 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.486 -0.909 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.310 -4.740 5.580 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.132 -1.400 5.583 1.00 0.00 H new ATOM 586 N LEU A 37 -10.079 -2.411 10.202 1.00 0.00 N ATOM 587 CA LEU A 37 -10.016 -1.444 9.121 1.00 0.00 C ATOM 588 C LEU A 37 -11.210 -0.506 9.151 1.00 0.00 C ATOM 589 O LEU A 37 -11.290 0.434 8.363 1.00 0.00 O ATOM 590 CB LEU A 37 -9.923 -2.165 7.782 1.00 0.00 C ATOM 591 CG LEU A 37 -8.712 -3.084 7.656 1.00 0.00 C ATOM 592 CD1 LEU A 37 -8.657 -3.713 6.278 1.00 0.00 C ATOM 593 CD2 LEU A 37 -7.435 -2.316 7.948 1.00 0.00 C ATOM 0 HA LEU A 37 -9.121 -0.836 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.829 -2.752 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.889 -1.424 6.983 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.808 -3.885 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.786 -4.364 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.561 -4.297 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.584 -2.930 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.579 -2.984 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.334 -1.495 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.474 -1.917 8.961 1.00 0.00 H new ATOM 605 N VAL A 38 -12.128 -0.756 10.077 1.00 0.00 N ATOM 606 CA VAL A 38 -13.246 0.149 10.301 1.00 0.00 C ATOM 607 C VAL A 38 -12.711 1.520 10.701 1.00 0.00 C ATOM 608 O VAL A 38 -13.215 2.559 10.266 1.00 0.00 O ATOM 609 CB VAL A 38 -14.191 -0.376 11.404 1.00 0.00 C ATOM 610 CG1 VAL A 38 -15.373 0.561 11.599 1.00 0.00 C ATOM 611 CG2 VAL A 38 -14.670 -1.783 11.072 1.00 0.00 C ATOM 0 H VAL A 38 -12.119 -1.576 10.683 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.817 0.220 9.375 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.633 -0.413 12.339 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.023 0.169 12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -15.011 1.548 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.933 0.639 10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.335 -2.137 11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.207 -1.770 10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.812 -2.451 10.994 1.00 0.00 H new ATOM 621 N SER A 39 -11.667 1.503 11.517 1.00 0.00 N ATOM 622 CA SER A 39 -10.995 2.718 11.942 1.00 0.00 C ATOM 623 C SER A 39 -10.399 3.444 10.738 1.00 0.00 C ATOM 624 O SER A 39 -10.486 4.666 10.630 1.00 0.00 O ATOM 625 CB SER A 39 -9.894 2.358 12.934 1.00 0.00 C ATOM 626 OG SER A 39 -10.328 1.332 13.811 1.00 0.00 O ATOM 0 H SER A 39 -11.264 0.648 11.901 1.00 0.00 H new ATOM 0 HA SER A 39 -11.716 3.381 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.004 2.031 12.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.612 3.240 13.509 1.00 0.00 H new ATOM 0 HG SER A 39 -9.609 1.113 14.439 1.00 0.00 H new ATOM 632 N ALA A 40 -9.816 2.670 9.825 1.00 0.00 N ATOM 633 CA ALA A 40 -9.199 3.219 8.625 1.00 0.00 C ATOM 634 C ALA A 40 -10.238 3.917 7.755 1.00 0.00 C ATOM 635 O ALA A 40 -10.012 5.034 7.284 1.00 0.00 O ATOM 636 CB ALA A 40 -8.490 2.120 7.844 1.00 0.00 C ATOM 0 H ALA A 40 -9.759 1.654 9.897 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.459 3.960 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.034 2.545 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.717 1.671 8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.211 1.356 7.555 1.00 0.00 H new ATOM 642 N GLU A 41 -11.384 3.265 7.560 1.00 0.00 N ATOM 643 CA GLU A 41 -12.476 3.849 6.787 1.00 0.00 C ATOM 644 C GLU A 41 -12.925 5.164 7.416 1.00 0.00 C ATOM 645 O GLU A 41 -13.111 6.167 6.723 1.00 0.00 O ATOM 646 CB GLU A 41 -13.666 2.887 6.705 1.00 0.00 C ATOM 647 CG GLU A 41 -13.358 1.570 6.009 1.00 0.00 C ATOM 648 CD GLU A 41 -14.579 0.675 5.887 1.00 0.00 C ATOM 649 OE1 GLU A 41 -15.653 1.045 6.404 1.00 0.00 O ATOM 650 OE2 GLU A 41 -14.467 -0.413 5.275 1.00 0.00 O ATOM 0 H GLU A 41 -11.579 2.333 7.927 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.109 4.037 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.019 2.677 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.482 3.381 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.960 1.773 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.580 1.044 6.562 1.00 0.00 H new ATOM 657 N SER A 42 -13.078 5.154 8.736 1.00 0.00 N ATOM 658 CA SER A 42 -13.496 6.336 9.474 1.00 0.00 C ATOM 659 C SER A 42 -12.473 7.462 9.309 1.00 0.00 C ATOM 660 O SER A 42 -12.829 8.590 8.966 1.00 0.00 O ATOM 661 CB SER A 42 -13.680 5.990 10.958 1.00 0.00 C ATOM 662 OG SER A 42 -14.272 7.062 11.672 1.00 0.00 O ATOM 0 H SER A 42 -12.917 4.332 9.319 1.00 0.00 H new ATOM 0 HA SER A 42 -14.449 6.680 9.073 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.304 5.101 11.051 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.713 5.748 11.399 1.00 0.00 H new ATOM 0 HG SER A 42 -14.377 6.810 12.613 1.00 0.00 H new ATOM 668 N LEU A 43 -11.200 7.141 9.518 1.00 0.00 N ATOM 669 CA LEU A 43 -10.130 8.132 9.429 1.00 0.00 C ATOM 670 C LEU A 43 -10.025 8.716 8.021 1.00 0.00 C ATOM 671 O LEU A 43 -9.759 9.909 7.856 1.00 0.00 O ATOM 672 CB LEU A 43 -8.790 7.513 9.835 1.00 0.00 C ATOM 673 CG LEU A 43 -8.690 7.071 11.298 1.00 0.00 C ATOM 674 CD1 LEU A 43 -7.349 6.403 11.561 1.00 0.00 C ATOM 675 CD2 LEU A 43 -8.888 8.257 12.232 1.00 0.00 C ATOM 0 H LEU A 43 -10.882 6.200 9.751 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.375 8.941 10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.600 6.649 9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.999 8.236 9.636 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.481 6.347 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.294 6.095 12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.246 5.528 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.544 7.106 11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.813 7.922 13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.120 9.006 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.872 8.693 12.062 1.00 0.00 H new ATOM 687 N LEU A 44 -10.235 7.879 7.011 1.00 0.00 N ATOM 688 CA LEU A 44 -10.180 8.332 5.627 1.00 0.00 C ATOM 689 C LEU A 44 -11.395 9.197 5.298 1.00 0.00 C ATOM 690 O LEU A 44 -11.277 10.207 4.606 1.00 0.00 O ATOM 691 CB LEU A 44 -10.103 7.141 4.667 1.00 0.00 C ATOM 692 CG LEU A 44 -9.882 7.508 3.197 1.00 0.00 C ATOM 693 CD1 LEU A 44 -8.538 8.196 3.013 1.00 0.00 C ATOM 694 CD2 LEU A 44 -9.979 6.274 2.315 1.00 0.00 C ATOM 0 H LEU A 44 -10.444 6.887 7.124 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.279 8.933 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.293 6.486 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.027 6.568 4.748 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.666 8.203 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.400 8.449 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.510 9.106 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.740 7.527 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.819 6.557 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.220 5.551 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.968 5.827 2.422 1.00 0.00 H new ATOM 706 N ARG A 45 -12.558 8.804 5.809 1.00 0.00 N ATOM 707 CA ARG A 45 -13.780 9.585 5.625 1.00 0.00 C ATOM 708 C ARG A 45 -13.649 10.937 6.320 1.00 0.00 C ATOM 709 O ARG A 45 -14.155 11.953 5.840 1.00 0.00 O ATOM 710 CB ARG A 45 -14.993 8.821 6.174 1.00 0.00 C ATOM 711 CG ARG A 45 -16.313 9.570 6.033 1.00 0.00 C ATOM 712 CD ARG A 45 -17.474 8.771 6.608 1.00 0.00 C ATOM 713 NE ARG A 45 -17.729 7.545 5.849 1.00 0.00 N ATOM 714 CZ ARG A 45 -17.660 6.316 6.362 1.00 0.00 C ATOM 715 NH1 ARG A 45 -17.333 6.136 7.638 1.00 0.00 N ATOM 716 NH2 ARG A 45 -17.932 5.268 5.598 1.00 0.00 N ATOM 0 H ARG A 45 -12.681 7.950 6.353 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.930 9.751 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.072 7.865 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.823 8.599 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.243 10.531 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.502 9.781 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.259 8.516 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.372 9.388 6.611 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.976 7.637 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.133 6.941 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.282 5.193 8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.193 5.403 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.880 4.326 5.987 1.00 0.00 H new ATOM 730 N ASN A 46 -12.958 10.942 7.453 1.00 0.00 N ATOM 731 CA ASN A 46 -12.714 12.172 8.200 1.00 0.00 C ATOM 732 C ASN A 46 -11.627 13.005 7.528 1.00 0.00 C ATOM 733 O ASN A 46 -11.488 14.194 7.807 1.00 0.00 O ATOM 734 CB ASN A 46 -12.296 11.863 9.644 1.00 0.00 C ATOM 735 CG ASN A 46 -13.452 11.463 10.548 1.00 0.00 C ATOM 736 OD1 ASN A 46 -13.423 11.716 11.751 1.00 0.00 O ATOM 737 ND2 ASN A 46 -14.469 10.838 9.986 1.00 0.00 N ATOM 0 H ASN A 46 -12.555 10.106 7.877 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.645 12.739 8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.560 11.059 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.805 12.740 10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -15.266 10.548 10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.459 10.645 8.985 1.00 0.00 H new ATOM 744 N GLY A 47 -10.859 12.375 6.644 1.00 0.00 N ATOM 745 CA GLY A 47 -9.774 13.067 5.972 1.00 0.00 C ATOM 746 C GLY A 47 -8.620 13.358 6.911 1.00 0.00 C ATOM 747 O GLY A 47 -7.960 14.391 6.798 1.00 0.00 O ATOM 0 H GLY A 47 -10.969 11.396 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.419 12.462 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.145 14.002 5.552 1.00 0.00 H new ATOM 751 N LYS A 48 -8.379 12.446 7.842 1.00 0.00 N ATOM 752 CA LYS A 48 -7.324 12.628 8.830 1.00 0.00 C ATOM 753 C LYS A 48 -6.029 11.983 8.361 1.00 0.00 C ATOM 754 O LYS A 48 -4.937 12.454 8.679 1.00 0.00 O ATOM 755 CB LYS A 48 -7.746 12.038 10.176 1.00 0.00 C ATOM 756 CG LYS A 48 -8.975 12.706 10.759 1.00 0.00 C ATOM 757 CD LYS A 48 -9.278 12.205 12.157 1.00 0.00 C ATOM 758 CE LYS A 48 -10.483 12.919 12.744 1.00 0.00 C ATOM 759 NZ LYS A 48 -10.304 14.396 12.754 1.00 0.00 N ATOM 0 H LYS A 48 -8.899 11.573 7.934 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.154 13.698 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.942 10.973 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.920 12.131 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.825 13.785 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.832 12.519 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.465 11.132 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.411 12.361 12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.372 12.665 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.653 12.567 13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.981 14.823 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.334 14.626 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.472 14.772 11.799 1.00 0.00 H new ATOM 773 N ILE A 49 -6.156 10.908 7.603 1.00 0.00 N ATOM 774 CA ILE A 49 -4.993 10.205 7.088 1.00 0.00 C ATOM 775 C ILE A 49 -4.981 10.231 5.567 1.00 0.00 C ATOM 776 O ILE A 49 -6.007 10.481 4.930 1.00 0.00 O ATOM 777 CB ILE A 49 -4.945 8.737 7.572 1.00 0.00 C ATOM 778 CG1 ILE A 49 -6.196 7.981 7.116 1.00 0.00 C ATOM 779 CG2 ILE A 49 -4.800 8.675 9.089 1.00 0.00 C ATOM 780 CD1 ILE A 49 -6.167 6.502 7.439 1.00 0.00 C ATOM 0 H ILE A 49 -7.051 10.503 7.330 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.114 10.723 7.472 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.073 8.257 7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.072 8.429 7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.313 8.106 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.768 7.634 9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.878 9.175 9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.650 9.172 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.086 6.034 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.312 6.039 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.082 6.367 8.517 1.00 0.00 H new ATOM 792 N THR A 50 -3.819 9.982 4.996 1.00 0.00 N ATOM 793 CA THR A 50 -3.682 9.906 3.553 1.00 0.00 C ATOM 794 C THR A 50 -4.019 8.500 3.068 1.00 0.00 C ATOM 795 O THR A 50 -4.140 7.573 3.876 1.00 0.00 O ATOM 796 CB THR A 50 -2.259 10.297 3.114 1.00 0.00 C ATOM 797 OG1 THR A 50 -1.295 9.692 3.984 1.00 0.00 O ATOM 798 CG2 THR A 50 -2.084 11.806 3.133 1.00 0.00 C ATOM 0 H THR A 50 -2.952 9.828 5.511 1.00 0.00 H new ATOM 0 HA THR A 50 -4.381 10.612 3.104 1.00 0.00 H new ATOM 0 HB THR A 50 -2.106 9.940 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.384 10.069 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.071 12.059 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.800 12.264 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.255 12.179 4.143 1.00 0.00 H new ATOM 806 N VAL A 51 -4.170 8.330 1.760 1.00 0.00 N ATOM 807 CA VAL A 51 -4.568 7.042 1.212 1.00 0.00 C ATOM 808 C VAL A 51 -3.444 6.023 1.375 1.00 0.00 C ATOM 809 O VAL A 51 -3.705 4.834 1.576 1.00 0.00 O ATOM 810 CB VAL A 51 -4.995 7.150 -0.271 1.00 0.00 C ATOM 811 CG1 VAL A 51 -5.354 5.783 -0.839 1.00 0.00 C ATOM 812 CG2 VAL A 51 -6.174 8.103 -0.411 1.00 0.00 C ATOM 0 H VAL A 51 -4.024 9.062 1.065 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.437 6.702 1.775 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.151 7.542 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.650 5.889 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.489 5.123 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.180 5.358 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.465 8.170 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.014 7.731 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.888 9.091 -0.050 1.00 0.00 H new ATOM 822 N ARG A 52 -2.196 6.494 1.327 1.00 0.00 N ATOM 823 CA ARG A 52 -1.051 5.635 1.624 1.00 0.00 C ATOM 824 C ARG A 52 -1.204 5.013 3.010 1.00 0.00 C ATOM 825 O ARG A 52 -0.852 3.856 3.225 1.00 0.00 O ATOM 826 CB ARG A 52 0.272 6.413 1.560 1.00 0.00 C ATOM 827 CG ARG A 52 0.329 7.601 2.508 1.00 0.00 C ATOM 828 CD ARG A 52 1.718 7.821 3.084 1.00 0.00 C ATOM 829 NE ARG A 52 2.735 8.036 2.060 1.00 0.00 N ATOM 830 CZ ARG A 52 3.852 8.730 2.268 1.00 0.00 C ATOM 831 NH1 ARG A 52 4.053 9.343 3.431 1.00 0.00 N ATOM 832 NH2 ARG A 52 4.767 8.818 1.314 1.00 0.00 N ATOM 0 H ARG A 52 -1.955 7.456 1.088 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.026 4.851 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.094 5.735 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.427 6.765 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.013 8.500 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.378 7.446 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.696 8.682 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.996 6.957 3.687 1.00 0.00 H new ATOM 0 HE ARG A 52 2.582 7.633 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.350 9.282 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.910 9.874 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.616 8.354 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.622 9.350 1.475 1.00 0.00 H new ATOM 846 N GLU A 53 -1.758 5.786 3.939 1.00 0.00 N ATOM 847 CA GLU A 53 -1.912 5.346 5.317 1.00 0.00 C ATOM 848 C GLU A 53 -3.171 4.504 5.476 1.00 0.00 C ATOM 849 O GLU A 53 -3.244 3.642 6.350 1.00 0.00 O ATOM 850 CB GLU A 53 -1.937 6.553 6.252 1.00 0.00 C ATOM 851 CG GLU A 53 -0.686 7.404 6.143 1.00 0.00 C ATOM 852 CD GLU A 53 -0.755 8.660 6.979 1.00 0.00 C ATOM 853 OE1 GLU A 53 -1.576 9.549 6.661 1.00 0.00 O ATOM 854 OE2 GLU A 53 0.023 8.771 7.949 1.00 0.00 O ATOM 0 H GLU A 53 -2.109 6.726 3.758 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.059 4.721 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.809 7.166 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.049 6.209 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.177 6.814 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.528 7.676 5.100 1.00 0.00 H new ATOM 861 N PHE A 54 -4.156 4.748 4.622 1.00 0.00 N ATOM 862 CA PHE A 54 -5.348 3.911 4.582 1.00 0.00 C ATOM 863 C PHE A 54 -4.966 2.499 4.149 1.00 0.00 C ATOM 864 O PHE A 54 -5.297 1.518 4.815 1.00 0.00 O ATOM 865 CB PHE A 54 -6.389 4.503 3.624 1.00 0.00 C ATOM 866 CG PHE A 54 -7.625 3.657 3.470 1.00 0.00 C ATOM 867 CD1 PHE A 54 -8.565 3.587 4.485 1.00 0.00 C ATOM 868 CD2 PHE A 54 -7.845 2.931 2.310 1.00 0.00 C ATOM 869 CE1 PHE A 54 -9.699 2.810 4.347 1.00 0.00 C ATOM 870 CE2 PHE A 54 -8.977 2.151 2.168 1.00 0.00 C ATOM 871 CZ PHE A 54 -9.905 2.091 3.188 1.00 0.00 C ATOM 0 H PHE A 54 -4.154 5.515 3.950 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.789 3.872 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.679 5.491 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.931 4.641 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.410 4.147 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.123 2.975 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.424 2.766 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.135 1.589 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.791 1.482 3.079 1.00 0.00 H new ATOM 881 N VAL A 55 -4.244 2.411 3.037 1.00 0.00 N ATOM 882 CA VAL A 55 -3.748 1.132 2.544 1.00 0.00 C ATOM 883 C VAL A 55 -2.734 0.550 3.527 1.00 0.00 C ATOM 884 O VAL A 55 -2.636 -0.667 3.689 1.00 0.00 O ATOM 885 CB VAL A 55 -3.096 1.278 1.149 1.00 0.00 C ATOM 886 CG1 VAL A 55 -2.610 -0.068 0.624 1.00 0.00 C ATOM 887 CG2 VAL A 55 -4.067 1.916 0.163 1.00 0.00 C ATOM 0 H VAL A 55 -3.989 3.212 2.459 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.599 0.457 2.453 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.230 1.932 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.157 0.067 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.872 -0.481 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.454 -0.753 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.587 2.009 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.956 1.292 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.353 2.904 0.522 1.00 0.00 H new ATOM 897 N ARG A 56 -2.000 1.440 4.191 1.00 0.00 N ATOM 898 CA ARG A 56 -1.015 1.059 5.198 1.00 0.00 C ATOM 899 C ARG A 56 -1.663 0.208 6.283 1.00 0.00 C ATOM 900 O ARG A 56 -1.170 -0.868 6.618 1.00 0.00 O ATOM 901 CB ARG A 56 -0.408 2.317 5.821 1.00 0.00 C ATOM 902 CG ARG A 56 0.899 2.099 6.558 1.00 0.00 C ATOM 903 CD ARG A 56 1.385 3.401 7.173 1.00 0.00 C ATOM 904 NE ARG A 56 2.821 3.397 7.441 1.00 0.00 N ATOM 905 CZ ARG A 56 3.469 4.397 8.032 1.00 0.00 C ATOM 906 NH1 ARG A 56 2.800 5.449 8.494 1.00 0.00 N ATOM 907 NH2 ARG A 56 4.786 4.339 8.166 1.00 0.00 N ATOM 0 H ARG A 56 -2.072 2.447 4.045 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.230 0.473 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.245 3.052 5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.131 2.747 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.763 1.350 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.651 1.711 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.147 4.226 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.847 3.582 8.103 1.00 0.00 H new ATOM 0 HE ARG A 56 3.359 2.578 7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.786 5.492 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.301 6.214 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.299 3.530 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.287 5.104 8.619 1.00 0.00 H new ATOM 921 N ALA A 57 -2.782 0.694 6.813 1.00 0.00 N ATOM 922 CA ALA A 57 -3.512 -0.017 7.852 1.00 0.00 C ATOM 923 C ALA A 57 -4.013 -1.363 7.341 1.00 0.00 C ATOM 924 O ALA A 57 -3.908 -2.378 8.028 1.00 0.00 O ATOM 925 CB ALA A 57 -4.675 0.827 8.352 1.00 0.00 C ATOM 0 H ALA A 57 -3.202 1.581 6.537 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.830 -0.202 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.212 0.283 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.296 1.763 8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.352 1.041 7.525 1.00 0.00 H new ATOM 931 N VAL A 58 -4.545 -1.362 6.124 1.00 0.00 N ATOM 932 CA VAL A 58 -5.070 -2.578 5.513 1.00 0.00 C ATOM 933 C VAL A 58 -3.963 -3.608 5.316 1.00 0.00 C ATOM 934 O VAL A 58 -4.164 -4.803 5.530 1.00 0.00 O ATOM 935 CB VAL A 58 -5.737 -2.280 4.149 1.00 0.00 C ATOM 936 CG1 VAL A 58 -6.343 -3.541 3.551 1.00 0.00 C ATOM 937 CG2 VAL A 58 -6.794 -1.195 4.296 1.00 0.00 C ATOM 0 H VAL A 58 -4.624 -0.530 5.539 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.821 -2.981 6.192 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.966 -1.921 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.805 -3.303 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.561 -4.285 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.098 -3.939 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.252 -0.999 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.559 -1.525 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.329 -0.282 4.669 1.00 0.00 H new ATOM 947 N ALA A 59 -2.791 -3.132 4.925 1.00 0.00 N ATOM 948 CA ALA A 59 -1.660 -4.005 4.657 1.00 0.00 C ATOM 949 C ALA A 59 -1.012 -4.498 5.949 1.00 0.00 C ATOM 950 O ALA A 59 -0.395 -5.553 5.972 1.00 0.00 O ATOM 951 CB ALA A 59 -0.642 -3.285 3.788 1.00 0.00 C ATOM 0 H ALA A 59 -2.598 -2.140 4.786 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.028 -4.881 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.202 -3.946 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.106 -3.000 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.291 -2.391 4.304 1.00 0.00 H new ATOM 957 N LYS A 60 -1.157 -3.735 7.022 1.00 0.00 N ATOM 958 CA LYS A 60 -0.575 -4.120 8.303 1.00 0.00 C ATOM 959 C LYS A 60 -1.603 -4.820 9.184 1.00 0.00 C ATOM 960 O LYS A 60 -1.427 -4.930 10.401 1.00 0.00 O ATOM 961 CB LYS A 60 0.023 -2.909 9.023 1.00 0.00 C ATOM 962 CG LYS A 60 1.205 -2.301 8.283 1.00 0.00 C ATOM 963 CD LYS A 60 1.988 -1.333 9.157 1.00 0.00 C ATOM 964 CE LYS A 60 3.139 -0.707 8.387 1.00 0.00 C ATOM 965 NZ LYS A 60 4.056 0.063 9.270 1.00 0.00 N ATOM 0 H LYS A 60 -1.668 -2.852 7.034 1.00 0.00 H new ATOM 0 HA LYS A 60 0.232 -4.824 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.749 -2.150 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.341 -3.208 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.867 -3.097 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.847 -1.780 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.324 -0.550 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.374 -1.858 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.701 -1.490 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.741 -0.047 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.283 0.975 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.595 0.231 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.932 -0.478 9.417 1.00 0.00 H new ATOM 979 N SER A 61 -2.683 -5.274 8.566 1.00 0.00 N ATOM 980 CA SER A 61 -3.674 -6.089 9.249 1.00 0.00 C ATOM 981 C SER A 61 -3.419 -7.568 8.960 1.00 0.00 C ATOM 982 O SER A 61 -2.364 -7.929 8.445 1.00 0.00 O ATOM 983 CB SER A 61 -5.078 -5.687 8.807 1.00 0.00 C ATOM 984 OG SER A 61 -5.374 -4.361 9.206 1.00 0.00 O ATOM 0 H SER A 61 -2.895 -5.090 7.586 1.00 0.00 H new ATOM 0 HA SER A 61 -3.593 -5.926 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.161 -5.772 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.809 -6.372 9.237 1.00 0.00 H new ATOM 0 HG SER A 61 -4.770 -3.739 8.749 1.00 0.00 H new ATOM 990 N GLU A 62 -4.369 -8.427 9.303 1.00 0.00 N ATOM 991 CA GLU A 62 -4.194 -9.852 9.077 1.00 0.00 C ATOM 992 C GLU A 62 -5.039 -10.320 7.891 1.00 0.00 C ATOM 993 O GLU A 62 -4.668 -10.085 6.741 1.00 0.00 O ATOM 994 CB GLU A 62 -4.532 -10.646 10.345 1.00 0.00 C ATOM 995 CG GLU A 62 -3.801 -10.147 11.585 1.00 0.00 C ATOM 996 CD GLU A 62 -3.930 -11.081 12.772 1.00 0.00 C ATOM 997 OE1 GLU A 62 -4.898 -11.865 12.822 1.00 0.00 O ATOM 998 OE2 GLU A 62 -3.058 -11.027 13.669 1.00 0.00 O ATOM 0 H GLU A 62 -5.256 -8.166 9.733 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.147 -10.036 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.607 -10.595 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.285 -11.695 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.745 -10.015 11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.191 -9.167 11.859 1.00 0.00 H new ATOM 1005 N LEU A 63 -6.181 -10.951 8.181 1.00 0.00 N ATOM 1006 CA LEU A 63 -7.097 -11.463 7.156 1.00 0.00 C ATOM 1007 C LEU A 63 -6.456 -12.601 6.349 1.00 0.00 C ATOM 1008 O LEU A 63 -6.832 -13.764 6.505 1.00 0.00 O ATOM 1009 CB LEU A 63 -7.568 -10.332 6.229 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.659 -10.718 5.228 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.895 -11.229 5.957 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.011 -9.529 4.345 1.00 0.00 C ATOM 0 H LEU A 63 -6.497 -11.122 9.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.969 -11.871 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.936 -9.510 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.707 -9.956 5.676 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.280 -11.519 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.661 -11.499 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.632 -12.106 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.278 -10.449 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.788 -9.818 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.372 -8.709 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.125 -9.207 3.798 1.00 0.00 H new ATOM 1024 N TYR A 64 -5.491 -12.267 5.501 1.00 0.00 N ATOM 1025 CA TYR A 64 -4.771 -13.264 4.721 1.00 0.00 C ATOM 1026 C TYR A 64 -3.390 -13.481 5.322 1.00 0.00 C ATOM 1027 O TYR A 64 -2.494 -12.663 5.111 1.00 0.00 O ATOM 1028 CB TYR A 64 -4.626 -12.820 3.262 1.00 0.00 C ATOM 1029 CG TYR A 64 -5.937 -12.556 2.553 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -6.878 -13.564 2.387 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -6.226 -11.298 2.042 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -8.071 -13.324 1.732 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -7.416 -11.052 1.385 1.00 0.00 C ATOM 1034 CZ TYR A 64 -8.334 -12.069 1.232 1.00 0.00 C ATOM 1035 OH TYR A 64 -9.518 -11.828 0.574 1.00 0.00 O ATOM 0 H TYR A 64 -5.188 -11.307 5.336 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.339 -14.194 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.021 -11.914 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.079 -13.588 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.674 -14.551 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.509 -10.499 2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.794 -14.118 1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.626 -10.068 0.993 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.547 -10.892 0.285 1.00 0.00 H new ATOM 1045 N LYS A 65 -3.225 -14.581 6.066 1.00 0.00 N ATOM 1046 CA LYS A 65 -1.999 -14.839 6.828 1.00 0.00 C ATOM 1047 C LYS A 65 -1.894 -13.854 7.995 1.00 0.00 C ATOM 1048 O LYS A 65 -2.156 -12.662 7.839 1.00 0.00 O ATOM 1049 CB LYS A 65 -0.765 -14.785 5.919 1.00 0.00 C ATOM 1050 CG LYS A 65 -0.741 -15.919 4.907 1.00 0.00 C ATOM 1051 CD LYS A 65 0.454 -15.831 3.976 1.00 0.00 C ATOM 1052 CE LYS A 65 0.482 -16.999 3.002 1.00 0.00 C ATOM 1053 NZ LYS A 65 -0.692 -16.992 2.088 1.00 0.00 N ATOM 0 H LYS A 65 -3.931 -15.311 6.156 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.043 -15.847 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.747 -13.831 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.136 -14.829 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.720 -16.873 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.659 -15.899 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.418 -14.893 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.374 -15.820 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.399 -16.959 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.502 -17.935 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.551 -17.697 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.551 -17.225 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.795 -16.049 1.663 1.00 0.00 H new ATOM 1185 N PHE A 73 8.757 -18.667 4.804 1.00 0.00 N ATOM 1186 CA PHE A 73 8.955 -18.469 3.370 1.00 0.00 C ATOM 1187 C PHE A 73 8.440 -17.095 2.956 1.00 0.00 C ATOM 1188 O PHE A 73 7.356 -16.956 2.382 1.00 0.00 O ATOM 1189 CB PHE A 73 8.294 -19.582 2.548 1.00 0.00 C ATOM 1190 CG PHE A 73 8.919 -20.932 2.766 1.00 0.00 C ATOM 1191 CD1 PHE A 73 10.102 -21.271 2.128 1.00 0.00 C ATOM 1192 CD2 PHE A 73 8.331 -21.856 3.614 1.00 0.00 C ATOM 1193 CE1 PHE A 73 10.684 -22.508 2.330 1.00 0.00 C ATOM 1194 CE2 PHE A 73 8.910 -23.094 3.820 1.00 0.00 C ATOM 1195 CZ PHE A 73 10.088 -23.419 3.179 1.00 0.00 C ATOM 0 HA PHE A 73 10.024 -18.516 3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.236 -19.634 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.354 -19.328 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.574 -20.560 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.410 -21.606 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.604 -22.762 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.441 -23.807 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.543 -24.385 3.341 1.00 0.00 H new ATOM 1205 N GLN A 74 9.245 -16.088 3.270 1.00 0.00 N ATOM 1206 CA GLN A 74 8.882 -14.686 3.088 1.00 0.00 C ATOM 1207 C GLN A 74 8.619 -14.360 1.621 1.00 0.00 C ATOM 1208 O GLN A 74 7.857 -13.449 1.311 1.00 0.00 O ATOM 1209 CB GLN A 74 10.005 -13.796 3.634 1.00 0.00 C ATOM 1210 CG GLN A 74 9.699 -12.307 3.610 1.00 0.00 C ATOM 1211 CD GLN A 74 8.462 -11.951 4.411 1.00 0.00 C ATOM 1212 OE1 GLN A 74 8.108 -12.639 5.368 1.00 0.00 O ATOM 1213 NE2 GLN A 74 7.812 -10.858 4.044 1.00 0.00 N ATOM 0 H GLN A 74 10.177 -16.221 3.662 1.00 0.00 H new ATOM 0 HA GLN A 74 7.959 -14.496 3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.220 -14.093 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.910 -13.977 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.554 -11.758 4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.564 -11.985 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.138 -10.315 3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.985 -10.559 4.561 1.00 0.00 H new ATOM 1222 N THR A 75 9.237 -15.125 0.729 1.00 0.00 N ATOM 1223 CA THR A 75 9.140 -14.886 -0.708 1.00 0.00 C ATOM 1224 C THR A 75 7.685 -14.818 -1.186 1.00 0.00 C ATOM 1225 O THR A 75 7.339 -13.992 -2.034 1.00 0.00 O ATOM 1226 CB THR A 75 9.896 -15.980 -1.482 1.00 0.00 C ATOM 1227 OG1 THR A 75 9.529 -17.271 -0.978 1.00 0.00 O ATOM 1228 CG2 THR A 75 11.400 -15.791 -1.355 1.00 0.00 C ATOM 0 H THR A 75 9.818 -15.926 0.979 1.00 0.00 H new ATOM 0 HA THR A 75 9.597 -13.916 -0.906 1.00 0.00 H new ATOM 0 HB THR A 75 9.625 -15.907 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.011 -17.965 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.914 -16.576 -1.910 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.680 -14.818 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.686 -15.843 -0.304 1.00 0.00 H new ATOM 1236 N ARG A 76 6.834 -15.668 -0.619 1.00 0.00 N ATOM 1237 CA ARG A 76 5.419 -15.695 -0.982 1.00 0.00 C ATOM 1238 C ARG A 76 4.712 -14.424 -0.522 1.00 0.00 C ATOM 1239 O ARG A 76 3.842 -13.896 -1.217 1.00 0.00 O ATOM 1240 CB ARG A 76 4.738 -16.919 -0.373 1.00 0.00 C ATOM 1241 CG ARG A 76 5.210 -18.235 -0.963 1.00 0.00 C ATOM 1242 CD ARG A 76 4.581 -19.419 -0.250 1.00 0.00 C ATOM 1243 NE ARG A 76 4.945 -19.463 1.166 1.00 0.00 N ATOM 1244 CZ ARG A 76 4.493 -20.378 2.021 1.00 0.00 C ATOM 1245 NH1 ARG A 76 3.650 -21.316 1.614 1.00 0.00 N ATOM 1246 NH2 ARG A 76 4.880 -20.355 3.288 1.00 0.00 N ATOM 0 H ARG A 76 7.099 -16.348 0.094 1.00 0.00 H new ATOM 0 HA ARG A 76 5.351 -15.753 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.918 -16.927 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.661 -16.833 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.959 -18.271 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.296 -18.299 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.496 -19.364 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.897 -20.343 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 76 5.583 -18.750 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.344 -21.340 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.307 -22.014 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.526 -19.635 3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.532 -21.057 3.940 1.00 0.00 H new ATOM 1260 N VAL A 77 5.103 -13.932 0.644 1.00 0.00 N ATOM 1261 CA VAL A 77 4.513 -12.726 1.205 1.00 0.00 C ATOM 1262 C VAL A 77 5.042 -11.492 0.482 1.00 0.00 C ATOM 1263 O VAL A 77 4.330 -10.503 0.328 1.00 0.00 O ATOM 1264 CB VAL A 77 4.781 -12.631 2.725 1.00 0.00 C ATOM 1265 CG1 VAL A 77 4.294 -11.312 3.293 1.00 0.00 C ATOM 1266 CG2 VAL A 77 4.112 -13.792 3.442 1.00 0.00 C ATOM 0 H VAL A 77 5.830 -14.352 1.223 1.00 0.00 H new ATOM 0 HA VAL A 77 3.434 -12.775 1.061 1.00 0.00 H new ATOM 0 HB VAL A 77 5.858 -12.682 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.498 -11.279 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.812 -10.490 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.221 -11.218 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.305 -13.719 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.037 -13.759 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.513 -14.733 3.065 1.00 0.00 H new ATOM 1276 N ILE A 78 6.284 -11.568 0.011 1.00 0.00 N ATOM 1277 CA ILE A 78 6.857 -10.506 -0.810 1.00 0.00 C ATOM 1278 C ILE A 78 5.970 -10.253 -2.024 1.00 0.00 C ATOM 1279 O ILE A 78 5.636 -9.112 -2.342 1.00 0.00 O ATOM 1280 CB ILE A 78 8.284 -10.859 -1.288 1.00 0.00 C ATOM 1281 CG1 ILE A 78 9.219 -11.041 -0.090 1.00 0.00 C ATOM 1282 CG2 ILE A 78 8.818 -9.785 -2.226 1.00 0.00 C ATOM 1283 CD1 ILE A 78 10.618 -11.481 -0.469 1.00 0.00 C ATOM 0 H ILE A 78 6.912 -12.353 0.184 1.00 0.00 H new ATOM 0 HA ILE A 78 6.915 -9.609 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 78 8.240 -11.799 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.280 -10.101 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.787 -11.778 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.823 -10.053 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.165 -9.704 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.848 -8.828 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.222 -11.589 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.570 -12.437 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.070 -10.734 -1.122 1.00 0.00 H new ATOM 1295 N GLU A 79 5.579 -11.337 -2.686 1.00 0.00 N ATOM 1296 CA GLU A 79 4.651 -11.255 -3.804 1.00 0.00 C ATOM 1297 C GLU A 79 3.316 -10.675 -3.364 1.00 0.00 C ATOM 1298 O GLU A 79 2.743 -9.826 -4.046 1.00 0.00 O ATOM 1299 CB GLU A 79 4.408 -12.630 -4.418 1.00 0.00 C ATOM 1300 CG GLU A 79 5.518 -13.121 -5.322 1.00 0.00 C ATOM 1301 CD GLU A 79 4.994 -14.096 -6.352 1.00 0.00 C ATOM 1302 OE1 GLU A 79 4.311 -13.639 -7.297 1.00 0.00 O ATOM 1303 OE2 GLU A 79 5.226 -15.312 -6.212 1.00 0.00 O ATOM 0 H GLU A 79 5.892 -12.283 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 79 5.105 -10.600 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.265 -13.352 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.479 -12.600 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.983 -12.273 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.292 -13.601 -4.724 1.00 0.00 H new ATOM 1310 N LEU A 80 2.830 -11.151 -2.226 1.00 0.00 N ATOM 1311 CA LEU A 80 1.541 -10.732 -1.693 1.00 0.00 C ATOM 1312 C LEU A 80 1.533 -9.222 -1.448 1.00 0.00 C ATOM 1313 O LEU A 80 0.629 -8.513 -1.899 1.00 0.00 O ATOM 1314 CB LEU A 80 1.252 -11.519 -0.400 1.00 0.00 C ATOM 1315 CG LEU A 80 -0.152 -11.370 0.209 1.00 0.00 C ATOM 1316 CD1 LEU A 80 -0.262 -10.093 1.024 1.00 0.00 C ATOM 1317 CD2 LEU A 80 -1.218 -11.405 -0.878 1.00 0.00 C ATOM 0 H LEU A 80 3.316 -11.836 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 80 0.753 -10.947 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.423 -12.576 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.981 -11.216 0.351 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.317 -12.213 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.265 -10.014 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.468 -10.114 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.068 -9.234 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.203 -11.298 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.050 -10.587 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.164 -12.355 -1.410 1.00 0.00 H new ATOM 1329 N ASN A 81 2.556 -8.737 -0.754 1.00 0.00 N ATOM 1330 CA ASN A 81 2.678 -7.314 -0.469 1.00 0.00 C ATOM 1331 C ASN A 81 2.798 -6.519 -1.756 1.00 0.00 C ATOM 1332 O ASN A 81 2.133 -5.501 -1.929 1.00 0.00 O ATOM 1333 CB ASN A 81 3.879 -7.027 0.441 1.00 0.00 C ATOM 1334 CG ASN A 81 3.689 -7.578 1.840 1.00 0.00 C ATOM 1335 OD1 ASN A 81 2.562 -7.765 2.291 1.00 0.00 O ATOM 1336 ND2 ASN A 81 4.783 -7.809 2.550 1.00 0.00 N ATOM 0 H ASN A 81 3.313 -9.309 -0.379 1.00 0.00 H new ATOM 0 HA ASN A 81 1.773 -7.005 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.777 -7.462 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.040 -5.950 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.707 -8.155 3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.702 -7.641 2.140 1.00 0.00 H new ATOM 1343 N TYR A 82 3.625 -7.002 -2.673 1.00 0.00 N ATOM 1344 CA TYR A 82 3.819 -6.331 -3.950 1.00 0.00 C ATOM 1345 C TYR A 82 2.513 -6.189 -4.719 1.00 0.00 C ATOM 1346 O TYR A 82 2.238 -5.131 -5.281 1.00 0.00 O ATOM 1347 CB TYR A 82 4.850 -7.068 -4.804 1.00 0.00 C ATOM 1348 CG TYR A 82 6.205 -6.404 -4.819 1.00 0.00 C ATOM 1349 CD1 TYR A 82 6.319 -5.024 -4.732 1.00 0.00 C ATOM 1350 CD2 TYR A 82 7.368 -7.154 -4.927 1.00 0.00 C ATOM 1351 CE1 TYR A 82 7.551 -4.408 -4.754 1.00 0.00 C ATOM 1352 CE2 TYR A 82 8.606 -6.543 -4.953 1.00 0.00 C ATOM 1353 CZ TYR A 82 8.691 -5.170 -4.865 1.00 0.00 C ATOM 1354 OH TYR A 82 9.918 -4.555 -4.899 1.00 0.00 O ATOM 0 H TYR A 82 4.172 -7.855 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 82 4.192 -5.331 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.958 -8.087 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.478 -7.140 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.426 -4.422 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.304 -8.230 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.622 -3.333 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.503 -7.138 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 82 10.231 -4.501 -5.826 1.00 0.00 H new ATOM 1364 N LYS A 83 1.701 -7.239 -4.725 1.00 0.00 N ATOM 1365 CA LYS A 83 0.450 -7.226 -5.474 1.00 0.00 C ATOM 1366 C LYS A 83 -0.590 -6.319 -4.818 1.00 0.00 C ATOM 1367 O LYS A 83 -1.493 -5.823 -5.487 1.00 0.00 O ATOM 1368 CB LYS A 83 -0.120 -8.641 -5.622 1.00 0.00 C ATOM 1369 CG LYS A 83 0.744 -9.573 -6.460 1.00 0.00 C ATOM 1370 CD LYS A 83 0.044 -10.902 -6.714 1.00 0.00 C ATOM 1371 CE LYS A 83 0.963 -11.899 -7.406 1.00 0.00 C ATOM 1372 NZ LYS A 83 2.101 -12.292 -6.536 1.00 0.00 N ATOM 0 H LYS A 83 1.885 -8.107 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 83 0.678 -6.830 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.249 -9.075 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.110 -8.577 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.979 -9.096 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.691 -9.750 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.299 -11.319 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.841 -10.736 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.394 -12.786 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.344 -11.463 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.677 -13.010 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.687 -11.457 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.737 -12.685 -5.644 1.00 0.00 H new ATOM 1386 N HIS A 84 -0.475 -6.105 -3.514 1.00 0.00 N ATOM 1387 CA HIS A 84 -1.448 -5.277 -2.809 1.00 0.00 C ATOM 1388 C HIS A 84 -0.974 -3.829 -2.678 1.00 0.00 C ATOM 1389 O HIS A 84 -1.781 -2.932 -2.443 1.00 0.00 O ATOM 1390 CB HIS A 84 -1.755 -5.860 -1.425 1.00 0.00 C ATOM 1391 CG HIS A 84 -2.962 -5.247 -0.776 1.00 0.00 C ATOM 1392 ND1 HIS A 84 -2.953 -4.716 0.499 1.00 0.00 N ATOM 1393 CD2 HIS A 84 -4.227 -5.090 -1.239 1.00 0.00 C ATOM 1394 CE1 HIS A 84 -4.161 -4.260 0.790 1.00 0.00 C ATOM 1395 NE2 HIS A 84 -4.950 -4.474 -0.248 1.00 0.00 N ATOM 0 H HIS A 84 0.269 -6.486 -2.929 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.362 -5.276 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.908 -6.935 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.890 -5.715 -0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.597 -5.393 -2.207 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -4.452 -3.792 1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.937 -4.222 -0.304 1.00 0.00 H new ATOM 1404 N LEU A 85 0.325 -3.605 -2.812 1.00 0.00 N ATOM 1405 CA LEU A 85 0.883 -2.264 -2.658 1.00 0.00 C ATOM 1406 C LEU A 85 1.161 -1.608 -4.008 1.00 0.00 C ATOM 1407 O LEU A 85 0.950 -0.412 -4.177 1.00 0.00 O ATOM 1408 CB LEU A 85 2.172 -2.310 -1.833 1.00 0.00 C ATOM 1409 CG LEU A 85 2.009 -2.779 -0.384 1.00 0.00 C ATOM 1410 CD1 LEU A 85 3.370 -2.882 0.293 1.00 0.00 C ATOM 1411 CD2 LEU A 85 1.093 -1.834 0.383 1.00 0.00 C ATOM 0 H LEU A 85 1.012 -4.328 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 85 0.139 -1.663 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.880 -2.971 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.615 -1.314 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 85 1.550 -3.768 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.240 -3.216 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.991 -3.598 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.854 -1.905 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.989 -2.183 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.521 -0.832 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.113 -1.811 -0.094 1.00 0.00 H new ATOM 1423 N LEU A 86 1.649 -2.389 -4.960 1.00 0.00 N ATOM 1424 CA LEU A 86 1.977 -1.863 -6.282 1.00 0.00 C ATOM 1425 C LEU A 86 1.206 -2.592 -7.369 1.00 0.00 C ATOM 1426 O LEU A 86 1.089 -2.109 -8.491 1.00 0.00 O ATOM 1427 CB LEU A 86 3.477 -1.993 -6.544 1.00 0.00 C ATOM 1428 CG LEU A 86 4.360 -1.004 -5.788 1.00 0.00 C ATOM 1429 CD1 LEU A 86 5.822 -1.404 -5.899 1.00 0.00 C ATOM 1430 CD2 LEU A 86 4.158 0.400 -6.332 1.00 0.00 C ATOM 0 H LEU A 86 1.827 -3.387 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 86 1.693 -0.811 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.788 -3.005 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.654 -1.870 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 86 4.076 -1.019 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.437 -0.688 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.960 -2.398 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.118 -1.413 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.793 1.097 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.422 0.422 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.114 0.690 -6.212 1.00 0.00 H new ATOM 1442 N GLY A 87 0.696 -3.763 -7.028 1.00 0.00 N ATOM 1443 CA GLY A 87 -0.014 -4.574 -7.991 1.00 0.00 C ATOM 1444 C GLY A 87 0.928 -5.303 -8.928 1.00 0.00 C ATOM 1445 O GLY A 87 0.513 -5.841 -9.952 1.00 0.00 O ATOM 0 H GLY A 87 0.762 -4.169 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.635 -5.299 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.685 -3.942 -8.572 1.00 0.00 H new ATOM 1449 N ARG A 88 2.200 -5.346 -8.564 1.00 0.00 N ATOM 1450 CA ARG A 88 3.205 -5.969 -9.407 1.00 0.00 C ATOM 1451 C ARG A 88 3.692 -7.275 -8.801 1.00 0.00 C ATOM 1452 O ARG A 88 3.412 -7.585 -7.644 1.00 0.00 O ATOM 1453 CB ARG A 88 4.408 -5.039 -9.616 1.00 0.00 C ATOM 1454 CG ARG A 88 5.176 -4.729 -8.337 1.00 0.00 C ATOM 1455 CD ARG A 88 6.626 -4.354 -8.617 1.00 0.00 C ATOM 1456 NE ARG A 88 6.752 -3.164 -9.455 1.00 0.00 N ATOM 1457 CZ ARG A 88 7.916 -2.562 -9.718 1.00 0.00 C ATOM 1458 NH1 ARG A 88 9.051 -3.028 -9.211 1.00 0.00 N ATOM 1459 NH2 ARG A 88 7.957 -1.493 -10.504 1.00 0.00 N ATOM 0 H ARG A 88 2.559 -4.957 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 88 2.734 -6.170 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.088 -5.496 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.060 -4.104 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.686 -3.911 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.147 -5.597 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.141 -4.183 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.125 -5.191 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 88 5.904 -2.770 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.041 -3.854 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.933 -2.560 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.097 -1.126 -10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.849 -1.038 -10.701 1.00 0.00 H new ATOM 1473 N ALA A 89 4.410 -8.034 -9.603 1.00 0.00 N ATOM 1474 CA ALA A 89 5.130 -9.197 -9.126 1.00 0.00 C ATOM 1475 C ALA A 89 6.615 -8.883 -9.181 1.00 0.00 C ATOM 1476 O ALA A 89 7.021 -8.027 -9.965 1.00 0.00 O ATOM 1477 CB ALA A 89 4.797 -10.418 -9.973 1.00 0.00 C ATOM 0 H ALA A 89 4.511 -7.862 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 89 4.839 -9.428 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.347 -11.281 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.727 -10.618 -9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.078 -10.230 -11.009 1.00 0.00 H new ATOM 1483 N PRO A 90 7.439 -9.524 -8.340 1.00 0.00 N ATOM 1484 CA PRO A 90 8.886 -9.289 -8.337 1.00 0.00 C ATOM 1485 C PRO A 90 9.499 -9.493 -9.721 1.00 0.00 C ATOM 1486 O PRO A 90 9.631 -10.625 -10.194 1.00 0.00 O ATOM 1487 CB PRO A 90 9.421 -10.328 -7.347 1.00 0.00 C ATOM 1488 CG PRO A 90 8.262 -10.642 -6.465 1.00 0.00 C ATOM 1489 CD PRO A 90 7.037 -10.515 -7.326 1.00 0.00 C ATOM 0 HA PRO A 90 9.135 -8.264 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.779 -11.219 -7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.260 -9.933 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.347 -11.648 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.218 -9.955 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.764 -11.467 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.175 -10.176 -6.752 1.00 0.00 H new ATOM 1497 N TYR A 91 9.853 -8.391 -10.373 1.00 0.00 N ATOM 1498 CA TYR A 91 10.410 -8.440 -11.714 1.00 0.00 C ATOM 1499 C TYR A 91 11.896 -8.740 -11.648 1.00 0.00 C ATOM 1500 O TYR A 91 12.438 -9.468 -12.482 1.00 0.00 O ATOM 1501 CB TYR A 91 10.177 -7.116 -12.448 1.00 0.00 C ATOM 1502 CG TYR A 91 8.721 -6.804 -12.713 1.00 0.00 C ATOM 1503 CD1 TYR A 91 8.024 -7.461 -13.716 1.00 0.00 C ATOM 1504 CD2 TYR A 91 8.047 -5.850 -11.962 1.00 0.00 C ATOM 1505 CE1 TYR A 91 6.694 -7.177 -13.964 1.00 0.00 C ATOM 1506 CE2 TYR A 91 6.718 -5.562 -12.203 1.00 0.00 C ATOM 1507 CZ TYR A 91 6.045 -6.228 -13.205 1.00 0.00 C ATOM 1508 OH TYR A 91 4.717 -5.948 -13.447 1.00 0.00 O ATOM 0 H TYR A 91 9.762 -7.450 -9.990 1.00 0.00 H new ATOM 0 HA TYR A 91 9.907 -9.234 -12.266 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.610 -6.306 -11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.711 -7.141 -13.398 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.528 -8.206 -14.313 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.571 -5.325 -11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.166 -7.697 -14.750 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.208 -4.818 -11.609 1.00 0.00 H new ATOM 0 HH TYR A 91 4.271 -6.750 -13.792 1.00 0.00 H new ATOM 1518 N ASP A 92 12.545 -8.191 -10.635 1.00 0.00 N ATOM 1519 CA ASP A 92 13.970 -8.399 -10.444 1.00 0.00 C ATOM 1520 C ASP A 92 14.236 -9.113 -9.133 1.00 0.00 C ATOM 1521 O ASP A 92 13.524 -8.917 -8.148 1.00 0.00 O ATOM 1522 CB ASP A 92 14.728 -7.066 -10.466 1.00 0.00 C ATOM 1523 CG ASP A 92 14.800 -6.448 -11.848 1.00 0.00 C ATOM 1524 OD1 ASP A 92 15.604 -6.925 -12.676 1.00 0.00 O ATOM 1525 OD2 ASP A 92 14.061 -5.476 -12.111 1.00 0.00 O ATOM 0 H ASP A 92 12.107 -7.597 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 92 14.326 -9.019 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.241 -6.367 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 92 15.739 -7.223 -10.091 1.00 0.00 H new ATOM 1530 N GLU A 93 15.272 -9.939 -9.132 1.00 0.00 N ATOM 1531 CA GLU A 93 15.700 -10.655 -7.938 1.00 0.00 C ATOM 1532 C GLU A 93 16.099 -9.671 -6.842 1.00 0.00 C ATOM 1533 O GLU A 93 15.983 -9.970 -5.653 1.00 0.00 O ATOM 1534 CB GLU A 93 16.866 -11.604 -8.257 1.00 0.00 C ATOM 1535 CG GLU A 93 18.086 -10.931 -8.881 1.00 0.00 C ATOM 1536 CD GLU A 93 17.829 -10.435 -10.290 1.00 0.00 C ATOM 1537 OE1 GLU A 93 17.392 -11.240 -11.137 1.00 0.00 O ATOM 1538 OE2 GLU A 93 18.023 -9.230 -10.550 1.00 0.00 O ATOM 0 H GLU A 93 15.839 -10.132 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 93 14.862 -11.254 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.174 -12.101 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.510 -12.380 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 93 18.391 -10.092 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.917 -11.637 -8.895 1.00 0.00 H new ATOM 1545 N SER A 94 16.548 -8.490 -7.258 1.00 0.00 N ATOM 1546 CA SER A 94 16.907 -7.427 -6.331 1.00 0.00 C ATOM 1547 C SER A 94 15.736 -7.102 -5.406 1.00 0.00 C ATOM 1548 O SER A 94 15.925 -6.861 -4.216 1.00 0.00 O ATOM 1549 CB SER A 94 17.321 -6.183 -7.116 1.00 0.00 C ATOM 1550 OG SER A 94 18.246 -6.523 -8.136 1.00 0.00 O ATOM 0 H SER A 94 16.672 -8.246 -8.241 1.00 0.00 H new ATOM 0 HA SER A 94 17.743 -7.761 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.441 -5.715 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.767 -5.452 -6.442 1.00 0.00 H new ATOM 0 HG SER A 94 18.499 -5.716 -8.630 1.00 0.00 H new ATOM 1556 N GLU A 95 14.526 -7.130 -5.958 1.00 0.00 N ATOM 1557 CA GLU A 95 13.323 -6.848 -5.187 1.00 0.00 C ATOM 1558 C GLU A 95 13.099 -7.927 -4.137 1.00 0.00 C ATOM 1559 O GLU A 95 12.750 -7.638 -2.990 1.00 0.00 O ATOM 1560 CB GLU A 95 12.110 -6.768 -6.113 1.00 0.00 C ATOM 1561 CG GLU A 95 12.216 -5.682 -7.167 1.00 0.00 C ATOM 1562 CD GLU A 95 11.008 -5.645 -8.077 1.00 0.00 C ATOM 1563 OE1 GLU A 95 9.981 -5.055 -7.683 1.00 0.00 O ATOM 1564 OE2 GLU A 95 11.084 -6.204 -9.192 1.00 0.00 O ATOM 0 H GLU A 95 14.354 -7.346 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 95 13.453 -5.889 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.978 -7.730 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.217 -6.593 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.330 -4.714 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.113 -5.845 -7.764 1.00 0.00 H new ATOM 1571 N VAL A 96 13.313 -9.175 -4.538 1.00 0.00 N ATOM 1572 CA VAL A 96 13.148 -10.310 -3.643 1.00 0.00 C ATOM 1573 C VAL A 96 14.165 -10.245 -2.509 1.00 0.00 C ATOM 1574 O VAL A 96 13.798 -10.287 -1.334 1.00 0.00 O ATOM 1575 CB VAL A 96 13.305 -11.649 -4.395 1.00 0.00 C ATOM 1576 CG1 VAL A 96 13.040 -12.828 -3.469 1.00 0.00 C ATOM 1577 CG2 VAL A 96 12.384 -11.697 -5.604 1.00 0.00 C ATOM 0 H VAL A 96 13.603 -9.425 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 96 12.139 -10.259 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 96 14.335 -11.721 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.157 -13.759 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.749 -12.807 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.024 -12.763 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.510 -12.649 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.349 -11.596 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.632 -10.881 -6.283 1.00 0.00 H new ATOM 1587 N ILE A 97 15.438 -10.113 -2.874 1.00 0.00 N ATOM 1588 CA ILE A 97 16.522 -10.068 -1.898 1.00 0.00 C ATOM 1589 C ILE A 97 16.342 -8.902 -0.929 1.00 0.00 C ATOM 1590 O ILE A 97 16.517 -9.058 0.282 1.00 0.00 O ATOM 1591 CB ILE A 97 17.896 -9.951 -2.594 1.00 0.00 C ATOM 1592 CG1 ILE A 97 18.095 -11.129 -3.553 1.00 0.00 C ATOM 1593 CG2 ILE A 97 19.019 -9.902 -1.566 1.00 0.00 C ATOM 1594 CD1 ILE A 97 19.387 -11.068 -4.336 1.00 0.00 C ATOM 0 H ILE A 97 15.744 -10.035 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 97 16.489 -11.002 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 97 17.922 -9.023 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 97 18.070 -12.058 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 97 17.259 -11.162 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.978 -9.820 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.880 -9.038 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.004 -10.813 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 97 19.456 -11.935 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.407 -10.157 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.231 -11.067 -3.646 1.00 0.00 H new ATOM 1606 N PHE A 98 15.971 -7.743 -1.467 1.00 0.00 N ATOM 1607 CA PHE A 98 15.754 -6.546 -0.659 1.00 0.00 C ATOM 1608 C PHE A 98 14.725 -6.805 0.438 1.00 0.00 C ATOM 1609 O PHE A 98 14.939 -6.460 1.599 1.00 0.00 O ATOM 1610 CB PHE A 98 15.290 -5.388 -1.548 1.00 0.00 C ATOM 1611 CG PHE A 98 15.027 -4.104 -0.805 1.00 0.00 C ATOM 1612 CD1 PHE A 98 16.074 -3.276 -0.435 1.00 0.00 C ATOM 1613 CD2 PHE A 98 13.735 -3.723 -0.480 1.00 0.00 C ATOM 1614 CE1 PHE A 98 15.840 -2.096 0.245 1.00 0.00 C ATOM 1615 CE2 PHE A 98 13.493 -2.544 0.201 1.00 0.00 C ATOM 1616 CZ PHE A 98 14.547 -1.729 0.563 1.00 0.00 C ATOM 0 H PHE A 98 15.814 -7.607 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 98 16.699 -6.280 -0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 98 16.047 -5.205 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 98 14.380 -5.686 -2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 98 17.087 -3.557 -0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 98 12.906 -4.355 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 98 16.667 -1.462 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.481 -2.261 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 98 14.361 -0.807 1.093 1.00 0.00 H new ATOM 1626 N HIS A 99 13.612 -7.425 0.064 1.00 0.00 N ATOM 1627 CA HIS A 99 12.529 -7.680 1.010 1.00 0.00 C ATOM 1628 C HIS A 99 12.898 -8.779 2.002 1.00 0.00 C ATOM 1629 O HIS A 99 12.534 -8.707 3.175 1.00 0.00 O ATOM 1630 CB HIS A 99 11.234 -8.033 0.274 1.00 0.00 C ATOM 1631 CG HIS A 99 10.492 -6.836 -0.243 1.00 0.00 C ATOM 1632 ND1 HIS A 99 9.274 -6.429 0.260 1.00 0.00 N ATOM 1633 CD2 HIS A 99 10.802 -5.953 -1.219 1.00 0.00 C ATOM 1634 CE1 HIS A 99 8.870 -5.349 -0.383 1.00 0.00 C ATOM 1635 NE2 HIS A 99 9.781 -5.038 -1.287 1.00 0.00 N ATOM 0 H HIS A 99 13.435 -7.760 -0.883 1.00 0.00 H new ATOM 0 HA HIS A 99 12.367 -6.762 1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.469 -8.693 -0.561 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.583 -8.590 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.691 -5.965 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.951 -4.812 -0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.734 -4.248 -1.930 1.00 0.00 H new ATOM 1644 N LEU A 100 13.636 -9.782 1.535 1.00 0.00 N ATOM 1645 CA LEU A 100 14.068 -10.878 2.399 1.00 0.00 C ATOM 1646 C LEU A 100 14.898 -10.355 3.567 1.00 0.00 C ATOM 1647 O LEU A 100 14.612 -10.657 4.727 1.00 0.00 O ATOM 1648 CB LEU A 100 14.867 -11.915 1.605 1.00 0.00 C ATOM 1649 CG LEU A 100 14.046 -12.750 0.619 1.00 0.00 C ATOM 1650 CD1 LEU A 100 14.948 -13.661 -0.198 1.00 0.00 C ATOM 1651 CD2 LEU A 100 13.005 -13.569 1.362 1.00 0.00 C ATOM 0 H LEU A 100 13.947 -9.859 0.567 1.00 0.00 H new ATOM 0 HA LEU A 100 13.175 -11.360 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 100 15.654 -11.400 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 100 15.358 -12.589 2.307 1.00 0.00 H new ATOM 0 HG LEU A 100 13.537 -12.070 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 100 14.343 -14.245 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.663 -13.058 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.486 -14.334 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.428 -14.158 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.502 -14.237 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.337 -12.901 1.905 1.00 0.00 H new ATOM 1663 N ASP A 101 15.912 -9.553 3.261 1.00 0.00 N ATOM 1664 CA ASP A 101 16.754 -8.973 4.302 1.00 0.00 C ATOM 1665 C ASP A 101 15.969 -7.969 5.132 1.00 0.00 C ATOM 1666 O ASP A 101 16.134 -7.898 6.349 1.00 0.00 O ATOM 1667 CB ASP A 101 17.996 -8.294 3.717 1.00 0.00 C ATOM 1668 CG ASP A 101 19.073 -9.280 3.301 1.00 0.00 C ATOM 1669 OD1 ASP A 101 19.529 -10.069 4.162 1.00 0.00 O ATOM 1670 OD2 ASP A 101 19.490 -9.246 2.125 1.00 0.00 O ATOM 0 H ASP A 101 16.170 -9.291 2.309 1.00 0.00 H new ATOM 0 HA ASP A 101 17.082 -9.793 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.704 -7.698 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.408 -7.605 4.455 1.00 0.00 H new ATOM 1675 N LEU A 102 15.114 -7.198 4.471 1.00 0.00 N ATOM 1676 CA LEU A 102 14.307 -6.185 5.144 1.00 0.00 C ATOM 1677 C LEU A 102 13.452 -6.818 6.240 1.00 0.00 C ATOM 1678 O LEU A 102 13.413 -6.331 7.374 1.00 0.00 O ATOM 1679 CB LEU A 102 13.425 -5.454 4.126 1.00 0.00 C ATOM 1680 CG LEU A 102 12.677 -4.233 4.656 1.00 0.00 C ATOM 1681 CD1 LEU A 102 13.652 -3.232 5.259 1.00 0.00 C ATOM 1682 CD2 LEU A 102 11.879 -3.582 3.537 1.00 0.00 C ATOM 0 H LEU A 102 14.961 -7.255 3.464 1.00 0.00 H new ATOM 0 HA LEU A 102 14.975 -5.461 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.050 -5.140 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.696 -6.161 3.731 1.00 0.00 H new ATOM 0 HG LEU A 102 11.989 -4.558 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.102 -2.368 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.193 -3.701 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.361 -2.910 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.349 -2.712 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.556 -3.269 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.159 -4.297 3.140 1.00 0.00 H new ATOM 1694 N TYR A 103 12.794 -7.921 5.903 1.00 0.00 N ATOM 1695 CA TYR A 103 11.990 -8.659 6.866 1.00 0.00 C ATOM 1696 C TYR A 103 12.856 -9.229 7.989 1.00 0.00 C ATOM 1697 O TYR A 103 12.557 -9.045 9.167 1.00 0.00 O ATOM 1698 CB TYR A 103 11.223 -9.795 6.174 1.00 0.00 C ATOM 1699 CG TYR A 103 10.741 -10.860 7.140 1.00 0.00 C ATOM 1700 CD1 TYR A 103 9.653 -10.634 7.972 1.00 0.00 C ATOM 1701 CD2 TYR A 103 11.405 -12.078 7.244 1.00 0.00 C ATOM 1702 CE1 TYR A 103 9.235 -11.593 8.875 1.00 0.00 C ATOM 1703 CE2 TYR A 103 10.999 -13.037 8.152 1.00 0.00 C ATOM 1704 CZ TYR A 103 9.912 -12.790 8.962 1.00 0.00 C ATOM 1705 OH TYR A 103 9.516 -13.732 9.882 1.00 0.00 O ATOM 0 H TYR A 103 12.803 -8.324 4.966 1.00 0.00 H new ATOM 0 HA TYR A 103 11.276 -7.960 7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 103 10.366 -9.378 5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 103 11.866 -10.256 5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.125 -9.694 7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 103 12.252 -12.277 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 103 8.382 -11.405 9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 103 11.530 -13.974 8.226 1.00 0.00 H new ATOM 0 HH TYR A 103 10.096 -14.519 9.814 1.00 0.00 H new ATOM 1715 N GLU A 104 13.928 -9.918 7.622 1.00 0.00 N ATOM 1716 CA GLU A 104 14.760 -10.618 8.594 1.00 0.00 C ATOM 1717 C GLU A 104 15.531 -9.659 9.500 1.00 0.00 C ATOM 1718 O GLU A 104 16.058 -10.067 10.532 1.00 0.00 O ATOM 1719 CB GLU A 104 15.715 -11.581 7.892 1.00 0.00 C ATOM 1720 CG GLU A 104 15.006 -12.780 7.284 1.00 0.00 C ATOM 1721 CD GLU A 104 15.960 -13.821 6.742 1.00 0.00 C ATOM 1722 OE1 GLU A 104 16.808 -14.314 7.513 1.00 0.00 O ATOM 1723 OE2 GLU A 104 15.848 -14.176 5.550 1.00 0.00 O ATOM 0 H GLU A 104 14.243 -10.008 6.656 1.00 0.00 H new ATOM 0 HA GLU A 104 14.089 -11.190 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.251 -11.046 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.461 -11.930 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.368 -13.239 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.354 -12.440 6.480 1.00 0.00 H new ATOM 1730 N ASN A 105 15.632 -8.397 9.104 1.00 0.00 N ATOM 1731 CA ASN A 105 16.329 -7.408 9.919 1.00 0.00 C ATOM 1732 C ASN A 105 15.363 -6.562 10.739 1.00 0.00 C ATOM 1733 O ASN A 105 15.452 -6.535 11.964 1.00 0.00 O ATOM 1734 CB ASN A 105 17.218 -6.509 9.057 1.00 0.00 C ATOM 1735 CG ASN A 105 18.520 -7.187 8.679 1.00 0.00 C ATOM 1736 OD1 ASN A 105 19.513 -7.090 9.398 1.00 0.00 O ATOM 1737 ND2 ASN A 105 18.524 -7.877 7.555 1.00 0.00 N ATOM 0 H ASN A 105 15.245 -8.035 8.232 1.00 0.00 H new ATOM 0 HA ASN A 105 16.961 -7.961 10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.680 -6.229 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.433 -5.587 9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.373 -8.355 7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.678 -7.932 6.987 1.00 0.00 H new ATOM 1744 N GLU A 106 14.433 -5.884 10.078 1.00 0.00 N ATOM 1745 CA GLU A 106 13.541 -4.969 10.783 1.00 0.00 C ATOM 1746 C GLU A 106 12.188 -5.614 11.067 1.00 0.00 C ATOM 1747 O GLU A 106 11.577 -5.351 12.104 1.00 0.00 O ATOM 1748 CB GLU A 106 13.354 -3.677 9.993 1.00 0.00 C ATOM 1749 CG GLU A 106 14.656 -2.950 9.711 1.00 0.00 C ATOM 1750 CD GLU A 106 14.434 -1.545 9.198 1.00 0.00 C ATOM 1751 OE1 GLU A 106 13.800 -1.384 8.137 1.00 0.00 O ATOM 1752 OE2 GLU A 106 14.887 -0.589 9.864 1.00 0.00 O ATOM 0 H GLU A 106 14.277 -5.947 9.072 1.00 0.00 H new ATOM 0 HA GLU A 106 14.008 -4.731 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.862 -3.906 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.689 -3.014 10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.252 -2.911 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.232 -3.514 8.978 1.00 0.00 H new ATOM 1759 N GLY A 107 11.722 -6.447 10.154 1.00 0.00 N ATOM 1760 CA GLY A 107 10.467 -7.142 10.366 1.00 0.00 C ATOM 1761 C GLY A 107 9.552 -7.060 9.163 1.00 0.00 C ATOM 1762 O GLY A 107 9.855 -6.364 8.191 1.00 0.00 O ATOM 0 H GLY A 107 12.187 -6.656 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.668 -8.188 10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 107 9.961 -6.717 11.233 1.00 0.00 H new ATOM 1766 N PHE A 108 8.423 -7.761 9.232 1.00 0.00 N ATOM 1767 CA PHE A 108 7.457 -7.761 8.138 1.00 0.00 C ATOM 1768 C PHE A 108 6.771 -6.405 8.031 1.00 0.00 C ATOM 1769 O PHE A 108 6.311 -6.015 6.959 1.00 0.00 O ATOM 1770 CB PHE A 108 6.419 -8.883 8.313 1.00 0.00 C ATOM 1771 CG PHE A 108 5.697 -8.874 9.634 1.00 0.00 C ATOM 1772 CD1 PHE A 108 4.559 -8.101 9.814 1.00 0.00 C ATOM 1773 CD2 PHE A 108 6.152 -9.648 10.691 1.00 0.00 C ATOM 1774 CE1 PHE A 108 3.892 -8.098 11.023 1.00 0.00 C ATOM 1775 CE2 PHE A 108 5.486 -9.650 11.902 1.00 0.00 C ATOM 1776 CZ PHE A 108 4.355 -8.875 12.068 1.00 0.00 C ATOM 0 H PHE A 108 8.156 -8.335 10.032 1.00 0.00 H new ATOM 0 HA PHE A 108 7.998 -7.949 7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.683 -8.807 7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.920 -9.844 8.195 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.191 -7.495 8.999 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.036 -10.256 10.566 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.009 -7.489 11.152 1.00 0.00 H new ATOM 0 HE2 PHE A 108 5.850 -10.257 12.718 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.833 -8.876 13.013 1.00 0.00 H new ATOM 1786 N ASP A 109 6.725 -5.681 9.146 1.00 0.00 N ATOM 1787 CA ASP A 109 6.169 -4.332 9.161 1.00 0.00 C ATOM 1788 C ASP A 109 6.964 -3.446 8.214 1.00 0.00 C ATOM 1789 O ASP A 109 6.400 -2.653 7.463 1.00 0.00 O ATOM 1790 CB ASP A 109 6.207 -3.749 10.580 1.00 0.00 C ATOM 1791 CG ASP A 109 5.511 -2.402 10.686 1.00 0.00 C ATOM 1792 OD1 ASP A 109 6.122 -1.373 10.336 1.00 0.00 O ATOM 1793 OD2 ASP A 109 4.346 -2.363 11.130 1.00 0.00 O ATOM 0 H ASP A 109 7.066 -6.006 10.051 1.00 0.00 H new ATOM 0 HA ASP A 109 5.130 -4.374 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.736 -4.451 11.268 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.245 -3.642 10.895 1.00 0.00 H new ATOM 1798 N ALA A 110 8.281 -3.626 8.232 1.00 0.00 N ATOM 1799 CA ALA A 110 9.180 -2.852 7.386 1.00 0.00 C ATOM 1800 C ALA A 110 9.053 -3.265 5.927 1.00 0.00 C ATOM 1801 O ALA A 110 9.105 -2.422 5.031 1.00 0.00 O ATOM 1802 CB ALA A 110 10.616 -3.011 7.856 1.00 0.00 C ATOM 0 H ALA A 110 8.751 -4.307 8.828 1.00 0.00 H new ATOM 0 HA ALA A 110 8.897 -1.802 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.276 -2.427 7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.704 -2.658 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.900 -4.062 7.808 1.00 0.00 H new ATOM 1808 N ASP A 111 8.884 -4.568 5.700 1.00 0.00 N ATOM 1809 CA ASP A 111 8.715 -5.106 4.349 1.00 0.00 C ATOM 1810 C ASP A 111 7.592 -4.370 3.629 1.00 0.00 C ATOM 1811 O ASP A 111 7.740 -3.937 2.485 1.00 0.00 O ATOM 1812 CB ASP A 111 8.399 -6.606 4.409 1.00 0.00 C ATOM 1813 CG ASP A 111 8.375 -7.265 3.038 1.00 0.00 C ATOM 1814 OD1 ASP A 111 7.399 -7.072 2.284 1.00 0.00 O ATOM 1815 OD2 ASP A 111 9.335 -7.978 2.704 1.00 0.00 O ATOM 0 H ASP A 111 8.860 -5.273 6.437 1.00 0.00 H new ATOM 0 HA ASP A 111 9.645 -4.963 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.142 -7.103 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 111 7.432 -6.749 4.891 1.00 0.00 H new ATOM 1820 N ILE A 112 6.487 -4.203 4.333 1.00 0.00 N ATOM 1821 CA ILE A 112 5.309 -3.543 3.791 1.00 0.00 C ATOM 1822 C ILE A 112 5.481 -2.022 3.771 1.00 0.00 C ATOM 1823 O ILE A 112 5.124 -1.355 2.800 1.00 0.00 O ATOM 1824 CB ILE A 112 4.065 -3.894 4.633 1.00 0.00 C ATOM 1825 CG1 ILE A 112 3.912 -5.413 4.752 1.00 0.00 C ATOM 1826 CG2 ILE A 112 2.818 -3.277 4.024 1.00 0.00 C ATOM 1827 CD1 ILE A 112 2.811 -5.844 5.697 1.00 0.00 C ATOM 0 H ILE A 112 6.379 -4.520 5.296 1.00 0.00 H new ATOM 0 HA ILE A 112 5.178 -3.896 2.768 1.00 0.00 H new ATOM 0 HB ILE A 112 4.197 -3.482 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.713 -5.827 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.856 -5.838 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.950 -3.535 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.928 -2.193 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.680 -3.659 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.764 -6.933 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.018 -5.461 6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.857 -5.449 5.348 1.00 0.00 H new ATOM 1839 N ASP A 113 6.054 -1.490 4.843 1.00 0.00 N ATOM 1840 CA ASP A 113 6.130 -0.040 5.051 1.00 0.00 C ATOM 1841 C ASP A 113 7.075 0.628 4.056 1.00 0.00 C ATOM 1842 O ASP A 113 6.973 1.829 3.809 1.00 0.00 O ATOM 1843 CB ASP A 113 6.594 0.261 6.479 1.00 0.00 C ATOM 1844 CG ASP A 113 6.084 1.590 6.995 1.00 0.00 C ATOM 1845 OD1 ASP A 113 4.871 1.683 7.292 1.00 0.00 O ATOM 1846 OD2 ASP A 113 6.881 2.537 7.138 1.00 0.00 O ATOM 0 H ASP A 113 6.477 -2.041 5.590 1.00 0.00 H new ATOM 0 HA ASP A 113 5.131 0.367 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.254 -0.535 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.684 0.259 6.510 1.00 0.00 H new ATOM 1851 N SER A 114 7.988 -0.160 3.491 1.00 0.00 N ATOM 1852 CA SER A 114 8.998 0.341 2.556 1.00 0.00 C ATOM 1853 C SER A 114 8.393 1.238 1.468 1.00 0.00 C ATOM 1854 O SER A 114 8.731 2.422 1.369 1.00 0.00 O ATOM 1855 CB SER A 114 9.737 -0.839 1.916 1.00 0.00 C ATOM 1856 OG SER A 114 8.827 -1.749 1.314 1.00 0.00 O ATOM 0 H SER A 114 8.050 -1.163 3.667 1.00 0.00 H new ATOM 0 HA SER A 114 9.698 0.954 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.436 -0.470 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.326 -1.357 2.673 1.00 0.00 H new ATOM 0 HG SER A 114 8.605 -2.460 1.951 1.00 0.00 H new ATOM 1862 N TYR A 115 7.499 0.675 0.660 1.00 0.00 N ATOM 1863 CA TYR A 115 6.856 1.426 -0.413 1.00 0.00 C ATOM 1864 C TYR A 115 5.963 2.527 0.141 1.00 0.00 C ATOM 1865 O TYR A 115 5.934 3.640 -0.386 1.00 0.00 O ATOM 1866 CB TYR A 115 6.027 0.496 -1.311 1.00 0.00 C ATOM 1867 CG TYR A 115 5.024 1.239 -2.170 1.00 0.00 C ATOM 1868 CD1 TYR A 115 5.447 2.090 -3.185 1.00 0.00 C ATOM 1869 CD2 TYR A 115 3.658 1.106 -1.951 1.00 0.00 C ATOM 1870 CE1 TYR A 115 4.537 2.788 -3.952 1.00 0.00 C ATOM 1871 CE2 TYR A 115 2.741 1.799 -2.720 1.00 0.00 C ATOM 1872 CZ TYR A 115 3.186 2.640 -3.718 1.00 0.00 C ATOM 1873 OH TYR A 115 2.281 3.338 -4.482 1.00 0.00 O ATOM 0 H TYR A 115 7.204 -0.299 0.728 1.00 0.00 H new ATOM 0 HA TYR A 115 7.647 1.884 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.699 -0.071 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.499 -0.225 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.504 2.206 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.307 0.451 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 115 4.882 3.449 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.683 1.682 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 115 1.371 3.121 -4.191 1.00 0.00 H new ATOM 1883 N ILE A 116 5.248 2.211 1.209 1.00 0.00 N ATOM 1884 CA ILE A 116 4.265 3.122 1.775 1.00 0.00 C ATOM 1885 C ILE A 116 4.892 4.464 2.144 1.00 0.00 C ATOM 1886 O ILE A 116 4.279 5.515 1.963 1.00 0.00 O ATOM 1887 CB ILE A 116 3.588 2.506 3.018 1.00 0.00 C ATOM 1888 CG1 ILE A 116 2.947 1.167 2.648 1.00 0.00 C ATOM 1889 CG2 ILE A 116 2.546 3.460 3.591 1.00 0.00 C ATOM 1890 CD1 ILE A 116 2.335 0.430 3.820 1.00 0.00 C ATOM 0 H ILE A 116 5.331 1.323 1.705 1.00 0.00 H new ATOM 0 HA ILE A 116 3.510 3.292 1.008 1.00 0.00 H new ATOM 0 HB ILE A 116 4.345 2.335 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.175 1.341 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.702 0.530 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.080 3.007 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.028 4.395 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.784 3.661 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.902 -0.508 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.106 0.222 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.555 1.045 4.270 1.00 0.00 H new ATOM 1902 N ASP A 117 6.120 4.427 2.636 1.00 0.00 N ATOM 1903 CA ASP A 117 6.790 5.644 3.067 1.00 0.00 C ATOM 1904 C ASP A 117 7.595 6.287 1.937 1.00 0.00 C ATOM 1905 O ASP A 117 7.773 7.504 1.927 1.00 0.00 O ATOM 1906 CB ASP A 117 7.698 5.362 4.265 1.00 0.00 C ATOM 1907 CG ASP A 117 8.330 6.624 4.816 1.00 0.00 C ATOM 1908 OD1 ASP A 117 7.594 7.477 5.362 1.00 0.00 O ATOM 1909 OD2 ASP A 117 9.568 6.767 4.717 1.00 0.00 O ATOM 0 H ASP A 117 6.670 3.575 2.746 1.00 0.00 H new ATOM 0 HA ASP A 117 6.014 6.350 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.119 4.875 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.482 4.665 3.968 1.00 0.00 H new ATOM 1914 N SER A 118 8.065 5.482 0.979 1.00 0.00 N ATOM 1915 CA SER A 118 8.906 6.000 -0.107 1.00 0.00 C ATOM 1916 C SER A 118 8.203 7.136 -0.862 1.00 0.00 C ATOM 1917 O SER A 118 7.225 6.916 -1.584 1.00 0.00 O ATOM 1918 CB SER A 118 9.314 4.880 -1.074 1.00 0.00 C ATOM 1919 OG SER A 118 8.189 4.257 -1.667 1.00 0.00 O ATOM 0 H SER A 118 7.881 4.480 0.932 1.00 0.00 H new ATOM 0 HA SER A 118 9.811 6.405 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.955 5.290 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.901 4.134 -0.538 1.00 0.00 H new ATOM 0 HG SER A 118 7.431 4.293 -1.047 1.00 0.00 H new ATOM 1925 N PRO A 119 8.702 8.374 -0.700 1.00 0.00 N ATOM 1926 CA PRO A 119 8.050 9.574 -1.234 1.00 0.00 C ATOM 1927 C PRO A 119 8.023 9.610 -2.758 1.00 0.00 C ATOM 1928 O PRO A 119 7.032 10.035 -3.352 1.00 0.00 O ATOM 1929 CB PRO A 119 8.899 10.725 -0.686 1.00 0.00 C ATOM 1930 CG PRO A 119 10.225 10.118 -0.385 1.00 0.00 C ATOM 1931 CD PRO A 119 9.947 8.699 0.023 1.00 0.00 C ATOM 0 HA PRO A 119 7.002 9.620 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 119 8.990 11.530 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 119 8.450 11.155 0.209 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.877 10.153 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.731 10.662 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.762 8.032 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.821 8.608 1.102 1.00 0.00 H new ATOM 1939 N GLU A 120 9.098 9.149 -3.389 1.00 0.00 N ATOM 1940 CA GLU A 120 9.198 9.192 -4.843 1.00 0.00 C ATOM 1941 C GLU A 120 8.084 8.374 -5.493 1.00 0.00 C ATOM 1942 O GLU A 120 7.398 8.858 -6.393 1.00 0.00 O ATOM 1943 CB GLU A 120 10.570 8.700 -5.316 1.00 0.00 C ATOM 1944 CG GLU A 120 10.917 7.289 -4.874 1.00 0.00 C ATOM 1945 CD GLU A 120 12.110 6.735 -5.620 1.00 0.00 C ATOM 1946 OE1 GLU A 120 11.916 6.140 -6.698 1.00 0.00 O ATOM 1947 OE2 GLU A 120 13.247 6.906 -5.140 1.00 0.00 O ATOM 0 H GLU A 120 9.908 8.744 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 120 9.084 10.231 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.603 8.745 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 120 11.335 9.382 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.126 7.286 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.057 6.638 -5.033 1.00 0.00 H new ATOM 1954 N TYR A 121 7.884 7.150 -5.020 1.00 0.00 N ATOM 1955 CA TYR A 121 6.841 6.291 -5.562 1.00 0.00 C ATOM 1956 C TYR A 121 5.466 6.792 -5.155 1.00 0.00 C ATOM 1957 O TYR A 121 4.508 6.675 -5.916 1.00 0.00 O ATOM 1958 CB TYR A 121 7.048 4.842 -5.123 1.00 0.00 C ATOM 1959 CG TYR A 121 7.796 4.020 -6.147 1.00 0.00 C ATOM 1960 CD1 TYR A 121 9.105 4.325 -6.493 1.00 0.00 C ATOM 1961 CD2 TYR A 121 7.185 2.943 -6.777 1.00 0.00 C ATOM 1962 CE1 TYR A 121 9.785 3.582 -7.440 1.00 0.00 C ATOM 1963 CE2 TYR A 121 7.859 2.193 -7.722 1.00 0.00 C ATOM 1964 CZ TYR A 121 9.158 2.518 -8.052 1.00 0.00 C ATOM 1965 OH TYR A 121 9.832 1.776 -8.997 1.00 0.00 O ATOM 0 H TYR A 121 8.428 6.732 -4.265 1.00 0.00 H new ATOM 0 HA TYR A 121 6.904 6.324 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.597 4.828 -4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 121 6.078 4.383 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.601 5.157 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 121 6.167 2.688 -6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 121 10.803 3.834 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 121 7.371 1.356 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 121 9.248 1.062 -9.330 1.00 0.00 H new ATOM 1975 N THR A 122 5.383 7.373 -3.968 1.00 0.00 N ATOM 1976 CA THR A 122 4.153 8.003 -3.510 1.00 0.00 C ATOM 1977 C THR A 122 3.692 9.074 -4.500 1.00 0.00 C ATOM 1978 O THR A 122 2.511 9.166 -4.833 1.00 0.00 O ATOM 1979 CB THR A 122 4.342 8.641 -2.117 1.00 0.00 C ATOM 1980 OG1 THR A 122 4.680 7.635 -1.157 1.00 0.00 O ATOM 1981 CG2 THR A 122 3.085 9.365 -1.666 1.00 0.00 C ATOM 0 H THR A 122 6.154 7.422 -3.303 1.00 0.00 H new ATOM 0 HA THR A 122 3.392 7.225 -3.442 1.00 0.00 H new ATOM 0 HB THR A 122 5.152 9.367 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 122 5.649 7.489 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.251 9.803 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.844 10.154 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.257 8.658 -1.614 1.00 0.00 H new ATOM 1989 N ASN A 123 4.637 9.864 -4.991 1.00 0.00 N ATOM 1990 CA ASN A 123 4.317 10.948 -5.912 1.00 0.00 C ATOM 1991 C ASN A 123 4.165 10.437 -7.342 1.00 0.00 C ATOM 1992 O ASN A 123 3.418 11.009 -8.134 1.00 0.00 O ATOM 1993 CB ASN A 123 5.391 12.041 -5.856 1.00 0.00 C ATOM 1994 CG ASN A 123 5.490 12.697 -4.490 1.00 0.00 C ATOM 1995 OD1 ASN A 123 4.514 12.750 -3.740 1.00 0.00 O ATOM 1996 ND2 ASN A 123 6.664 13.214 -4.160 1.00 0.00 N ATOM 0 H ASN A 123 5.629 9.776 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 123 3.363 11.373 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 123 6.357 11.609 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.169 12.802 -6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.783 13.676 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 123 7.449 13.151 -4.808 1.00 0.00 H new ATOM 2003 N SER A 124 4.866 9.355 -7.663 1.00 0.00 N ATOM 2004 CA SER A 124 4.837 8.796 -9.012 1.00 0.00 C ATOM 2005 C SER A 124 3.575 7.967 -9.244 1.00 0.00 C ATOM 2006 O SER A 124 2.862 8.170 -10.228 1.00 0.00 O ATOM 2007 CB SER A 124 6.080 7.936 -9.254 1.00 0.00 C ATOM 2008 OG SER A 124 7.267 8.686 -9.055 1.00 0.00 O ATOM 0 H SER A 124 5.461 8.847 -7.009 1.00 0.00 H new ATOM 0 HA SER A 124 4.830 9.626 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.070 7.079 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.061 7.542 -10.270 1.00 0.00 H new ATOM 0 HG SER A 124 7.556 8.600 -8.123 1.00 0.00 H new ATOM 2014 N PHE A 125 3.301 7.037 -8.338 1.00 0.00 N ATOM 2015 CA PHE A 125 2.148 6.160 -8.478 1.00 0.00 C ATOM 2016 C PHE A 125 0.882 6.887 -8.044 1.00 0.00 C ATOM 2017 O PHE A 125 -0.167 6.764 -8.677 1.00 0.00 O ATOM 2018 CB PHE A 125 2.350 4.889 -7.645 1.00 0.00 C ATOM 2019 CG PHE A 125 1.329 3.814 -7.909 1.00 0.00 C ATOM 2020 CD1 PHE A 125 1.540 2.873 -8.904 1.00 0.00 C ATOM 2021 CD2 PHE A 125 0.163 3.744 -7.163 1.00 0.00 C ATOM 2022 CE1 PHE A 125 0.608 1.883 -9.152 1.00 0.00 C ATOM 2023 CE2 PHE A 125 -0.772 2.756 -7.407 1.00 0.00 C ATOM 2024 CZ PHE A 125 -0.550 1.825 -8.402 1.00 0.00 C ATOM 0 H PHE A 125 3.860 6.872 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 125 2.043 5.876 -9.525 1.00 0.00 H new ATOM 0 HB2 PHE A 125 3.344 4.489 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.321 5.152 -6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.444 2.914 -9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.017 4.469 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.785 1.156 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.677 2.712 -6.819 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.281 1.053 -8.593 1.00 0.00 H new ATOM 2034 N GLY A 126 1.000 7.679 -6.988 1.00 0.00 N ATOM 2035 CA GLY A 126 -0.135 8.426 -6.495 1.00 0.00 C ATOM 2036 C GLY A 126 -0.561 7.977 -5.111 1.00 0.00 C ATOM 2037 O GLY A 126 -1.090 6.882 -4.948 1.00 0.00 O ATOM 0 H GLY A 126 1.864 7.817 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.114 9.487 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -0.971 8.311 -7.185 1.00 0.00 H new ATOM 2041 N ASP A 127 -0.311 8.827 -4.119 1.00 0.00 N ATOM 2042 CA ASP A 127 -0.713 8.560 -2.734 1.00 0.00 C ATOM 2043 C ASP A 127 -2.200 8.256 -2.667 1.00 0.00 C ATOM 2044 O ASP A 127 -2.623 7.243 -2.119 1.00 0.00 O ATOM 2045 CB ASP A 127 -0.414 9.782 -1.858 1.00 0.00 C ATOM 2046 CG ASP A 127 -0.565 9.512 -0.367 1.00 0.00 C ATOM 2047 OD1 ASP A 127 -1.673 9.142 0.084 1.00 0.00 O ATOM 2048 OD2 ASP A 127 0.430 9.699 0.363 1.00 0.00 O ATOM 0 H ASP A 127 0.173 9.716 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.150 7.700 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 127 0.603 10.122 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.083 10.595 -2.142 1.00 0.00 H new ATOM 2053 N TRP A 128 -2.980 9.137 -3.275 1.00 0.00 N ATOM 2054 CA TRP A 128 -4.430 9.061 -3.221 1.00 0.00 C ATOM 2055 C TRP A 128 -4.979 8.171 -4.337 1.00 0.00 C ATOM 2056 O TRP A 128 -6.114 8.347 -4.784 1.00 0.00 O ATOM 2057 CB TRP A 128 -5.011 10.474 -3.327 1.00 0.00 C ATOM 2058 CG TRP A 128 -4.552 11.397 -2.232 1.00 0.00 C ATOM 2059 CD1 TRP A 128 -3.341 12.020 -2.144 1.00 0.00 C ATOM 2060 CD2 TRP A 128 -5.298 11.806 -1.077 1.00 0.00 C ATOM 2061 NE1 TRP A 128 -3.280 12.777 -1.000 1.00 0.00 N ATOM 2062 CE2 TRP A 128 -4.471 12.669 -0.331 1.00 0.00 C ATOM 2063 CE3 TRP A 128 -6.583 11.530 -0.601 1.00 0.00 C ATOM 2064 CZ2 TRP A 128 -4.885 13.249 0.865 1.00 0.00 C ATOM 2065 CZ3 TRP A 128 -6.993 12.108 0.588 1.00 0.00 C ATOM 2066 CH2 TRP A 128 -6.147 12.962 1.306 1.00 0.00 C ATOM 0 H TRP A 128 -2.625 9.924 -3.819 1.00 0.00 H new ATOM 0 HA TRP A 128 -4.725 8.615 -2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -4.733 10.901 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.099 10.413 -3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -2.546 11.931 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -2.478 13.330 -0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -7.244 10.877 -1.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.232 13.903 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -7.982 11.897 0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -6.499 13.403 2.227 1.00 0.00 H new ATOM 2077 N VAL A 129 -4.176 7.208 -4.775 1.00 0.00 N ATOM 2078 CA VAL A 129 -4.585 6.275 -5.816 1.00 0.00 C ATOM 2079 C VAL A 129 -4.486 4.845 -5.296 1.00 0.00 C ATOM 2080 O VAL A 129 -3.519 4.490 -4.625 1.00 0.00 O ATOM 2081 CB VAL A 129 -3.714 6.420 -7.089 1.00 0.00 C ATOM 2082 CG1 VAL A 129 -4.172 5.457 -8.177 1.00 0.00 C ATOM 2083 CG2 VAL A 129 -3.743 7.852 -7.599 1.00 0.00 C ATOM 0 H VAL A 129 -3.232 7.053 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.616 6.506 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.687 6.168 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.544 5.580 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.091 4.433 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.209 5.669 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.125 7.932 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.769 8.132 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.356 8.520 -6.830 1.00 0.00 H new ATOM 2093 N VAL A 130 -5.494 4.038 -5.591 1.00 0.00 N ATOM 2094 CA VAL A 130 -5.510 2.648 -5.163 1.00 0.00 C ATOM 2095 C VAL A 130 -4.773 1.763 -6.166 1.00 0.00 C ATOM 2096 O VAL A 130 -5.084 1.768 -7.360 1.00 0.00 O ATOM 2097 CB VAL A 130 -6.952 2.124 -4.987 1.00 0.00 C ATOM 2098 CG1 VAL A 130 -6.946 0.675 -4.518 1.00 0.00 C ATOM 2099 CG2 VAL A 130 -7.727 3.000 -4.016 1.00 0.00 C ATOM 0 H VAL A 130 -6.314 4.323 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 130 -5.003 2.606 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.450 2.166 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.972 0.326 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.435 0.056 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.427 0.604 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -8.740 2.613 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.230 2.996 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.767 4.020 -4.399 1.00 0.00 H new ATOM 2109 N PRO A 131 -3.776 1.005 -5.689 1.00 0.00 N ATOM 2110 CA PRO A 131 -3.013 0.081 -6.528 1.00 0.00 C ATOM 2111 C PRO A 131 -3.851 -1.095 -7.016 1.00 0.00 C ATOM 2112 O PRO A 131 -4.716 -1.603 -6.300 1.00 0.00 O ATOM 2113 CB PRO A 131 -1.899 -0.411 -5.604 1.00 0.00 C ATOM 2114 CG PRO A 131 -2.427 -0.212 -4.225 1.00 0.00 C ATOM 2115 CD PRO A 131 -3.308 1.001 -4.294 1.00 0.00 C ATOM 0 HA PRO A 131 -2.651 0.568 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -1.666 -1.459 -5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -0.979 0.153 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -2.989 -1.085 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -1.615 -0.065 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -4.139 0.934 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -2.759 1.911 -4.052 1.00 0.00 H new ATOM 2123 N TYR A 132 -3.579 -1.526 -8.236 1.00 0.00 N ATOM 2124 CA TYR A 132 -4.269 -2.662 -8.822 1.00 0.00 C ATOM 2125 C TYR A 132 -3.254 -3.674 -9.341 1.00 0.00 C ATOM 2126 O TYR A 132 -2.183 -3.296 -9.813 1.00 0.00 O ATOM 2127 CB TYR A 132 -5.215 -2.208 -9.947 1.00 0.00 C ATOM 2128 CG TYR A 132 -4.585 -1.276 -10.965 1.00 0.00 C ATOM 2129 CD1 TYR A 132 -3.788 -1.768 -11.991 1.00 0.00 C ATOM 2130 CD2 TYR A 132 -4.798 0.096 -10.903 1.00 0.00 C ATOM 2131 CE1 TYR A 132 -3.217 -0.922 -12.922 1.00 0.00 C ATOM 2132 CE2 TYR A 132 -4.233 0.950 -11.834 1.00 0.00 C ATOM 2133 CZ TYR A 132 -3.443 0.435 -12.839 1.00 0.00 C ATOM 2134 OH TYR A 132 -2.880 1.279 -13.770 1.00 0.00 O ATOM 0 H TYR A 132 -2.879 -1.102 -8.844 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.875 -3.138 -8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -5.591 -3.090 -10.465 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -6.075 -1.709 -9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.612 -2.831 -12.062 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.415 0.503 -10.115 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.597 -1.322 -13.711 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -4.410 2.014 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 132 -3.137 2.204 -13.571 1.00 0.00 H new ATOM 2144 N TYR A 133 -3.586 -4.954 -9.243 1.00 0.00 N ATOM 2145 CA TYR A 133 -2.666 -6.004 -9.655 1.00 0.00 C ATOM 2146 C TYR A 133 -2.666 -6.174 -11.171 1.00 0.00 C ATOM 2147 O TYR A 133 -3.674 -5.919 -11.834 1.00 0.00 O ATOM 2148 CB TYR A 133 -2.978 -7.335 -8.954 1.00 0.00 C ATOM 2149 CG TYR A 133 -4.369 -7.888 -9.198 1.00 0.00 C ATOM 2150 CD1 TYR A 133 -4.641 -8.674 -10.310 1.00 0.00 C ATOM 2151 CD2 TYR A 133 -5.401 -7.646 -8.300 1.00 0.00 C ATOM 2152 CE1 TYR A 133 -5.899 -9.200 -10.522 1.00 0.00 C ATOM 2153 CE2 TYR A 133 -6.664 -8.165 -8.507 1.00 0.00 C ATOM 2154 CZ TYR A 133 -6.907 -8.943 -9.620 1.00 0.00 C ATOM 2155 OH TYR A 133 -8.160 -9.481 -9.825 1.00 0.00 O ATOM 0 H TYR A 133 -4.480 -5.289 -8.884 1.00 0.00 H new ATOM 0 HA TYR A 133 -1.666 -5.697 -9.350 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -2.248 -8.077 -9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -2.841 -7.202 -7.881 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -3.854 -8.877 -11.021 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -5.212 -7.042 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -6.092 -9.811 -11.392 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -7.457 -7.963 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 133 -8.757 -9.206 -9.098 1.00 0.00 H new ATOM 2165 N ARG A 134 -1.511 -6.572 -11.701 1.00 0.00 N ATOM 2166 CA ARG A 134 -1.320 -6.759 -13.135 1.00 0.00 C ATOM 2167 C ARG A 134 -2.434 -7.589 -13.768 1.00 0.00 C ATOM 2168 O ARG A 134 -2.887 -8.595 -13.213 1.00 0.00 O ATOM 2169 CB ARG A 134 0.036 -7.409 -13.409 1.00 0.00 C ATOM 2170 CG ARG A 134 1.212 -6.475 -13.176 1.00 0.00 C ATOM 2171 CD ARG A 134 1.173 -5.291 -14.131 1.00 0.00 C ATOM 2172 NE ARG A 134 2.370 -4.452 -14.035 1.00 0.00 N ATOM 2173 CZ ARG A 134 2.411 -3.176 -14.415 1.00 0.00 C ATOM 2174 NH1 ARG A 134 1.321 -2.587 -14.893 1.00 0.00 N ATOM 2175 NH2 ARG A 134 3.535 -2.483 -14.316 1.00 0.00 N ATOM 0 H ARG A 134 -0.680 -6.774 -11.145 1.00 0.00 H new ATOM 0 HA ARG A 134 -1.351 -5.770 -13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.146 -8.286 -12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.060 -7.761 -14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 134 1.196 -6.116 -12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.146 -7.022 -13.309 1.00 0.00 H new ATOM 0 HD2 ARG A 134 1.070 -5.656 -15.153 1.00 0.00 H new ATOM 0 HD3 ARG A 134 0.291 -4.686 -13.919 1.00 0.00 H new ATOM 0 HE ARG A 134 3.220 -4.869 -13.656 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.450 -3.112 -14.970 1.00 0.00 H new ATOM 0 HH12 ARG A 134 1.355 -1.610 -15.183 1.00 0.00 H new ATOM 0 HH21 ARG A 134 4.376 -2.926 -13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 134 3.559 -1.506 -14.609 1.00 0.00 H new