USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -5.82! C(o=-5.8!,f=-4.7!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 TYR OH : rot 102:sc= 0.154 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.531 X(o=-0.38,f=0) USER MOD Set 3.1: A 54 GLN : amide:sc= -3.77! C(o=-4.5!,f=-10!) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 88 TYR OH : rot 90:sc= -0.726 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -0.099 USER MOD Set 4.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 31 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 64:sc= 0.499 USER MOD Single : A 5 SER OG : rot 25:sc= 0.12 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.674 K(o=-0.67,f=0.018) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 41 GLN : amide:sc= -2.23 K(o=-2.2,f=-4.7!) USER MOD Single : A 43 GLN : amide:sc= -0.891 K(o=-0.89,f=-4) USER MOD Single : A 46 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -178:sc= -2.16 (180deg=-2.21) USER MOD Single : A 55 THR OG1 : rot -68:sc= 0.151 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.58) USER MOD Single : A 61 THR OG1 : rot -46:sc= 0.927 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 76 SER OG : rot 23:sc= 0.469 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= -0.204 (180deg=-0.636) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.215 USER MOD Single : A 97 ASN : amide:sc= -0.0585 K(o=-0.058,f=-1.6!) USER MOD Single : A 100 GLN : amide:sc= -2.34! C(o=-2.3!,f=-13!) USER MOD Single : A 102 MET CE :methyl -122:sc= -0.221 (180deg=-0.905) USER MOD Single : A 104 SER OG : rot -115:sc= 0.052 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 111 THR OG1 : rot 162:sc= 0.604 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.878 9.646 14.901 1.00 0.00 N ATOM 2 CA GLY A 1 -28.075 8.456 14.689 1.00 0.00 C ATOM 3 C GLY A 1 -27.568 7.861 15.988 1.00 0.00 C ATOM 4 O GLY A 1 -28.258 7.065 16.626 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.201 10.015 13.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.703 9.408 15.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.307 10.369 15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.668 7.711 14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.227 8.702 14.050 1.00 0.00 H new ATOM 8 N SER A 2 -26.357 8.245 16.380 1.00 0.00 N ATOM 9 CA SER A 2 -25.755 7.740 17.608 1.00 0.00 C ATOM 10 C SER A 2 -25.715 8.825 18.680 1.00 0.00 C ATOM 11 O SER A 2 -24.743 9.572 18.787 1.00 0.00 O ATOM 12 CB SER A 2 -24.340 7.226 17.334 1.00 0.00 C ATOM 13 OG SER A 2 -24.352 6.193 16.364 1.00 0.00 O ATOM 0 H SER A 2 -25.774 8.904 15.865 1.00 0.00 H new ATOM 0 HA SER A 2 -26.369 6.916 17.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.712 8.047 16.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.899 6.855 18.259 1.00 0.00 H new ATOM 0 HG SER A 2 -23.436 5.883 16.205 1.00 0.00 H new ATOM 19 N SER A 3 -26.780 8.906 19.471 1.00 0.00 N ATOM 20 CA SER A 3 -26.870 9.901 20.533 1.00 0.00 C ATOM 21 C SER A 3 -26.310 11.243 20.068 1.00 0.00 C ATOM 22 O SER A 3 -25.648 11.948 20.828 1.00 0.00 O ATOM 23 CB SER A 3 -26.116 9.423 21.775 1.00 0.00 C ATOM 24 OG SER A 3 -24.717 9.581 21.614 1.00 0.00 O ATOM 0 H SER A 3 -27.593 8.294 19.396 1.00 0.00 H new ATOM 0 HA SER A 3 -27.922 10.033 20.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.451 9.985 22.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.347 8.375 21.964 1.00 0.00 H new ATOM 0 HG SER A 3 -24.504 10.533 21.524 1.00 0.00 H new ATOM 30 N GLY A 4 -26.582 11.588 18.813 1.00 0.00 N ATOM 31 CA GLY A 4 -26.098 12.842 18.268 1.00 0.00 C ATOM 32 C GLY A 4 -24.589 12.968 18.352 1.00 0.00 C ATOM 33 O GLY A 4 -24.035 13.157 19.435 1.00 0.00 O ATOM 0 H GLY A 4 -27.129 11.021 18.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.409 12.926 17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.559 13.670 18.806 1.00 0.00 H new ATOM 37 N SER A 5 -23.923 12.862 17.207 1.00 0.00 N ATOM 38 CA SER A 5 -22.469 12.960 17.157 1.00 0.00 C ATOM 39 C SER A 5 -22.012 13.601 15.850 1.00 0.00 C ATOM 40 O SER A 5 -22.715 13.546 14.840 1.00 0.00 O ATOM 41 CB SER A 5 -21.838 11.574 17.306 1.00 0.00 C ATOM 42 OG SER A 5 -21.719 11.212 18.671 1.00 0.00 O ATOM 0 H SER A 5 -24.367 12.708 16.302 1.00 0.00 H new ATOM 0 HA SER A 5 -22.144 13.591 17.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.446 10.836 16.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.854 11.567 16.837 1.00 0.00 H new ATOM 0 HG SER A 5 -22.388 11.697 19.198 1.00 0.00 H new ATOM 48 N SER A 6 -20.831 14.209 15.877 1.00 0.00 N ATOM 49 CA SER A 6 -20.281 14.864 14.696 1.00 0.00 C ATOM 50 C SER A 6 -20.020 13.852 13.585 1.00 0.00 C ATOM 51 O SER A 6 -19.175 12.967 13.721 1.00 0.00 O ATOM 52 CB SER A 6 -18.984 15.595 15.050 1.00 0.00 C ATOM 53 OG SER A 6 -18.433 16.235 13.913 1.00 0.00 O ATOM 0 H SER A 6 -20.236 14.262 16.704 1.00 0.00 H new ATOM 0 HA SER A 6 -21.013 15.589 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.180 16.333 15.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.263 14.886 15.457 1.00 0.00 H new ATOM 0 HG SER A 6 -17.606 16.696 14.166 1.00 0.00 H new ATOM 59 N GLY A 7 -20.753 13.989 12.484 1.00 0.00 N ATOM 60 CA GLY A 7 -20.587 13.080 11.365 1.00 0.00 C ATOM 61 C GLY A 7 -21.875 12.867 10.595 1.00 0.00 C ATOM 62 O GLY A 7 -22.513 11.821 10.717 1.00 0.00 O ATOM 0 H GLY A 7 -21.458 14.713 12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.825 13.473 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.223 12.120 11.732 1.00 0.00 H new ATOM 66 N ARG A 8 -22.260 13.861 9.802 1.00 0.00 N ATOM 67 CA ARG A 8 -23.483 13.778 9.012 1.00 0.00 C ATOM 68 C ARG A 8 -23.162 13.588 7.532 1.00 0.00 C ATOM 69 O ARG A 8 -23.850 12.848 6.829 1.00 0.00 O ATOM 70 CB ARG A 8 -24.326 15.040 9.204 1.00 0.00 C ATOM 71 CG ARG A 8 -23.573 16.327 8.904 1.00 0.00 C ATOM 72 CD ARG A 8 -24.524 17.457 8.543 1.00 0.00 C ATOM 73 NE ARG A 8 -23.819 18.718 8.328 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.416 19.512 9.314 1.00 0.00 C ATOM 75 NH1 ARG A 8 -23.646 19.176 10.576 1.00 0.00 N ATOM 76 NH2 ARG A 8 -22.780 20.643 9.038 1.00 0.00 N ATOM 0 H ARG A 8 -21.743 14.733 9.689 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.051 12.914 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -25.203 14.983 8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.688 15.072 10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.979 16.613 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.877 16.159 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.076 17.192 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.257 17.583 9.340 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.626 19.005 7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.133 18.306 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.336 19.787 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.600 20.903 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.471 21.252 9.795 1.00 0.00 H new ATOM 90 N GLN A 9 -22.115 14.261 7.068 1.00 0.00 N ATOM 91 CA GLN A 9 -21.704 14.166 5.672 1.00 0.00 C ATOM 92 C GLN A 9 -20.757 12.990 5.461 1.00 0.00 C ATOM 93 O GLN A 9 -20.099 12.887 4.426 1.00 0.00 O ATOM 94 CB GLN A 9 -21.030 15.465 5.227 1.00 0.00 C ATOM 95 CG GLN A 9 -20.831 15.564 3.724 1.00 0.00 C ATOM 96 CD GLN A 9 -20.467 16.965 3.274 1.00 0.00 C ATOM 97 OE1 GLN A 9 -19.319 17.239 2.925 1.00 0.00 O ATOM 98 NE2 GLN A 9 -21.446 17.862 3.279 1.00 0.00 N ATOM 0 H GLN A 9 -21.536 14.878 7.638 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.596 14.002 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.632 16.310 5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.061 15.549 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.045 14.873 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.745 15.250 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.384 17.592 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -21.260 18.821 2.986 1.00 0.00 H new ATOM 107 N VAL A 10 -20.692 12.104 6.451 1.00 0.00 N ATOM 108 CA VAL A 10 -19.826 10.934 6.374 1.00 0.00 C ATOM 109 C VAL A 10 -20.312 9.960 5.306 1.00 0.00 C ATOM 110 O VAL A 10 -19.536 9.512 4.462 1.00 0.00 O ATOM 111 CB VAL A 10 -19.751 10.201 7.726 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.099 9.590 8.078 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.665 9.136 7.695 1.00 0.00 C ATOM 0 H VAL A 10 -21.229 12.175 7.315 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.832 11.293 6.109 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.495 10.926 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.026 9.076 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.849 10.378 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.388 8.878 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.626 8.628 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.888 8.412 6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.702 9.604 7.493 1.00 0.00 H new ATOM 123 N GLN A 11 -21.600 9.636 5.351 1.00 0.00 N ATOM 124 CA GLN A 11 -22.189 8.714 4.387 1.00 0.00 C ATOM 125 C GLN A 11 -22.230 9.335 2.994 1.00 0.00 C ATOM 126 O GLN A 11 -22.664 8.701 2.032 1.00 0.00 O ATOM 127 CB GLN A 11 -23.601 8.319 4.824 1.00 0.00 C ATOM 128 CG GLN A 11 -23.631 7.161 5.809 1.00 0.00 C ATOM 129 CD GLN A 11 -25.031 6.627 6.038 1.00 0.00 C ATOM 130 OE1 GLN A 11 -26.016 7.234 5.618 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.127 5.485 6.709 1.00 0.00 N ATOM 0 H GLN A 11 -22.255 9.998 6.044 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.565 7.821 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.087 9.183 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.184 8.051 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.995 6.357 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.210 7.487 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.284 5.015 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.044 5.078 6.894 1.00 0.00 H new ATOM 140 N LYS A 12 -21.776 10.580 2.894 1.00 0.00 N ATOM 141 CA LYS A 12 -21.760 11.288 1.619 1.00 0.00 C ATOM 142 C LYS A 12 -20.349 11.337 1.042 1.00 0.00 C ATOM 143 O LYS A 12 -20.091 10.803 -0.035 1.00 0.00 O ATOM 144 CB LYS A 12 -22.301 12.709 1.795 1.00 0.00 C ATOM 145 CG LYS A 12 -22.751 13.353 0.495 1.00 0.00 C ATOM 146 CD LYS A 12 -21.601 14.059 -0.204 1.00 0.00 C ATOM 147 CE LYS A 12 -21.499 15.515 0.223 1.00 0.00 C ATOM 148 NZ LYS A 12 -22.400 16.392 -0.575 1.00 0.00 N ATOM 0 H LYS A 12 -21.414 11.119 3.680 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.400 10.746 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.141 12.686 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.529 13.329 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.167 12.591 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.548 14.068 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.666 13.546 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.741 14.004 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.751 15.602 1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.469 15.855 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.301 17.376 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.144 16.329 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.385 16.084 -0.449 1.00 0.00 H new ATOM 162 N GLU A 13 -19.440 11.981 1.768 1.00 0.00 N ATOM 163 CA GLU A 13 -18.055 12.099 1.327 1.00 0.00 C ATOM 164 C GLU A 13 -17.356 10.743 1.362 1.00 0.00 C ATOM 165 O GLU A 13 -16.636 10.379 0.431 1.00 0.00 O ATOM 166 CB GLU A 13 -17.299 13.097 2.207 1.00 0.00 C ATOM 167 CG GLU A 13 -15.794 12.893 2.204 1.00 0.00 C ATOM 168 CD GLU A 13 -15.180 13.092 0.832 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.710 12.521 -0.144 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.170 13.819 0.734 1.00 0.00 O ATOM 0 H GLU A 13 -19.638 12.428 2.663 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.058 12.461 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.521 14.109 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.666 13.017 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.336 13.588 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.567 11.887 2.557 1.00 0.00 H new ATOM 177 N LEU A 14 -17.573 10.000 2.441 1.00 0.00 N ATOM 178 CA LEU A 14 -16.964 8.683 2.599 1.00 0.00 C ATOM 179 C LEU A 14 -16.839 7.976 1.253 1.00 0.00 C ATOM 180 O LEU A 14 -15.750 7.881 0.689 1.00 0.00 O ATOM 181 CB LEU A 14 -17.791 7.829 3.561 1.00 0.00 C ATOM 182 CG LEU A 14 -17.373 6.364 3.686 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.217 6.220 4.664 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.553 5.508 4.124 1.00 0.00 C ATOM 0 H LEU A 14 -18.166 10.286 3.220 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.964 8.819 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.746 8.285 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.833 7.863 3.242 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.040 6.017 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.933 5.170 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.366 6.801 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.522 6.585 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.237 4.468 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.916 5.856 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.352 5.586 3.387 1.00 0.00 H new ATOM 196 N GLY A 15 -17.964 7.484 0.741 1.00 0.00 N ATOM 197 CA GLY A 15 -17.958 6.794 -0.535 1.00 0.00 C ATOM 198 C GLY A 15 -17.397 7.649 -1.654 1.00 0.00 C ATOM 199 O GLY A 15 -16.636 7.165 -2.492 1.00 0.00 O ATOM 0 H GLY A 15 -18.879 7.551 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.368 5.882 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.975 6.493 -0.787 1.00 0.00 H new ATOM 203 N ASP A 16 -17.773 8.923 -1.668 1.00 0.00 N ATOM 204 CA ASP A 16 -17.302 9.848 -2.693 1.00 0.00 C ATOM 205 C ASP A 16 -15.786 9.764 -2.845 1.00 0.00 C ATOM 206 O ASP A 16 -15.264 9.743 -3.960 1.00 0.00 O ATOM 207 CB ASP A 16 -17.713 11.280 -2.346 1.00 0.00 C ATOM 208 CG ASP A 16 -17.354 12.266 -3.440 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.210 12.211 -3.936 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.218 13.094 -3.800 1.00 0.00 O ATOM 0 H ASP A 16 -18.402 9.339 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.761 9.566 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.788 11.314 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.227 11.579 -1.417 1.00 0.00 H new ATOM 215 N VAL A 17 -15.084 9.718 -1.717 1.00 0.00 N ATOM 216 CA VAL A 17 -13.629 9.636 -1.725 1.00 0.00 C ATOM 217 C VAL A 17 -13.142 8.590 -2.721 1.00 0.00 C ATOM 218 O VAL A 17 -13.417 7.399 -2.571 1.00 0.00 O ATOM 219 CB VAL A 17 -13.078 9.294 -0.328 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.564 9.156 -0.369 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.498 10.351 0.683 1.00 0.00 C ATOM 0 H VAL A 17 -15.500 9.736 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.259 10.617 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.497 8.337 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.194 8.914 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.290 8.360 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.122 10.095 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.100 10.094 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.109 11.322 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.586 10.395 0.733 1.00 0.00 H new ATOM 231 N LEU A 18 -12.418 9.042 -3.739 1.00 0.00 N ATOM 232 CA LEU A 18 -11.891 8.144 -4.761 1.00 0.00 C ATOM 233 C LEU A 18 -10.408 7.873 -4.536 1.00 0.00 C ATOM 234 O LEU A 18 -9.551 8.638 -4.978 1.00 0.00 O ATOM 235 CB LEU A 18 -12.106 8.742 -6.153 1.00 0.00 C ATOM 236 CG LEU A 18 -12.298 7.741 -7.292 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.743 7.271 -7.352 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.880 8.356 -8.619 1.00 0.00 C ATOM 0 H LEU A 18 -12.182 10.025 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.429 7.198 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.980 9.392 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.250 9.373 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.664 6.876 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.860 6.559 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.009 6.790 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.397 8.127 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.024 7.629 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.487 9.239 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.829 8.641 -8.573 1.00 0.00 H new ATOM 250 N VAL A 19 -10.110 6.776 -3.846 1.00 0.00 N ATOM 251 CA VAL A 19 -8.730 6.401 -3.564 1.00 0.00 C ATOM 252 C VAL A 19 -8.110 5.661 -4.744 1.00 0.00 C ATOM 253 O VAL A 19 -8.646 4.656 -5.210 1.00 0.00 O ATOM 254 CB VAL A 19 -8.634 5.514 -2.308 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.184 5.170 -2.006 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.286 6.203 -1.119 1.00 0.00 C ATOM 0 H VAL A 19 -10.807 6.132 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.180 7.326 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.170 4.584 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.137 4.543 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.754 4.633 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.621 6.087 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.209 5.563 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.780 7.149 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.337 6.392 -1.339 1.00 0.00 H new ATOM 266 N ARG A 20 -6.976 6.164 -5.221 1.00 0.00 N ATOM 267 CA ARG A 20 -6.283 5.551 -6.347 1.00 0.00 C ATOM 268 C ARG A 20 -5.158 4.641 -5.863 1.00 0.00 C ATOM 269 O ARG A 20 -4.165 5.107 -5.302 1.00 0.00 O ATOM 270 CB ARG A 20 -5.718 6.629 -7.274 1.00 0.00 C ATOM 271 CG ARG A 20 -5.084 6.073 -8.540 1.00 0.00 C ATOM 272 CD ARG A 20 -5.116 7.090 -9.670 1.00 0.00 C ATOM 273 NE ARG A 20 -4.672 6.513 -10.937 1.00 0.00 N ATOM 274 CZ ARG A 20 -4.881 7.084 -12.118 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.523 8.242 -12.193 1.00 0.00 N ATOM 276 NH2 ARG A 20 -4.447 6.498 -13.226 1.00 0.00 N ATOM 0 H ARG A 20 -6.518 6.994 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.003 4.947 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.519 7.315 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.974 7.210 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.052 5.786 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.612 5.170 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.129 7.476 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.479 7.937 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.174 5.623 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.857 8.696 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.682 8.679 -13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.952 5.608 -13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.608 6.938 -14.132 1.00 0.00 H new ATOM 290 N LEU A 21 -5.319 3.341 -6.083 1.00 0.00 N ATOM 291 CA LEU A 21 -4.318 2.364 -5.669 1.00 0.00 C ATOM 292 C LEU A 21 -3.324 2.092 -6.794 1.00 0.00 C ATOM 293 O LEU A 21 -3.623 1.358 -7.736 1.00 0.00 O ATOM 294 CB LEU A 21 -4.994 1.060 -5.244 1.00 0.00 C ATOM 295 CG LEU A 21 -4.211 0.186 -4.263 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.714 1.016 -3.089 1.00 0.00 C ATOM 297 CD2 LEU A 21 -5.071 -0.971 -3.775 1.00 0.00 C ATOM 0 H LEU A 21 -6.134 2.939 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.773 2.777 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.957 1.303 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.200 0.472 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.346 -0.225 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.159 0.378 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.062 1.809 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.565 1.457 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.497 -1.582 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.955 -0.580 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.377 -1.581 -4.625 1.00 0.00 H new ATOM 309 N HIS A 22 -2.140 2.687 -6.688 1.00 0.00 N ATOM 310 CA HIS A 22 -1.101 2.507 -7.696 1.00 0.00 C ATOM 311 C HIS A 22 -0.704 1.038 -7.810 1.00 0.00 C ATOM 312 O HIS A 22 -1.079 0.356 -8.762 1.00 0.00 O ATOM 313 CB HIS A 22 0.124 3.354 -7.352 1.00 0.00 C ATOM 314 CG HIS A 22 -0.164 4.821 -7.272 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.404 5.747 -8.121 1.00 0.00 N ATOM 316 CD2 HIS A 22 -0.969 5.521 -6.438 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.037 6.954 -7.812 1.00 0.00 C ATOM 318 NE2 HIS A 22 -0.872 6.844 -6.794 1.00 0.00 N ATOM 0 H HIS A 22 -1.876 3.298 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.500 2.833 -8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.530 3.020 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.895 3.184 -8.103 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.575 5.115 -5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.238 7.873 -8.307 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.365 7.616 -6.345 1.00 0.00 H new ATOM 327 N ASN A 23 0.057 0.559 -6.831 1.00 0.00 N ATOM 328 CA ASN A 23 0.507 -0.829 -6.823 1.00 0.00 C ATOM 329 C ASN A 23 1.264 -1.148 -5.537 1.00 0.00 C ATOM 330 O ASN A 23 2.086 -0.365 -5.061 1.00 0.00 O ATOM 331 CB ASN A 23 1.399 -1.105 -8.035 1.00 0.00 C ATOM 332 CG ASN A 23 0.606 -1.565 -9.243 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.431 -0.817 -10.206 1.00 0.00 O ATOM 334 ND2 ASN A 23 0.122 -2.801 -9.198 1.00 0.00 N ATOM 0 H ASN A 23 0.375 1.110 -6.034 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.373 -1.470 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.952 -0.201 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.135 -1.866 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.419 -3.166 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.292 -3.386 -8.380 1.00 0.00 H new ATOM 341 N PRO A 24 0.980 -2.325 -4.960 1.00 0.00 N ATOM 342 CA PRO A 24 1.624 -2.775 -3.723 1.00 0.00 C ATOM 343 C PRO A 24 3.096 -3.118 -3.926 1.00 0.00 C ATOM 344 O PRO A 24 3.459 -4.287 -4.058 1.00 0.00 O ATOM 345 CB PRO A 24 0.830 -4.029 -3.346 1.00 0.00 C ATOM 346 CG PRO A 24 0.276 -4.528 -4.635 1.00 0.00 C ATOM 347 CD PRO A 24 0.010 -3.307 -5.472 1.00 0.00 C ATOM 0 HA PRO A 24 1.616 -2.001 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.469 -4.775 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.035 -3.796 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.981 -5.195 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.640 -5.097 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.162 -3.506 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.016 -2.956 -5.357 1.00 0.00 H new ATOM 355 N VAL A 25 3.940 -2.091 -3.950 1.00 0.00 N ATOM 356 CA VAL A 25 5.373 -2.284 -4.136 1.00 0.00 C ATOM 357 C VAL A 25 5.935 -3.258 -3.107 1.00 0.00 C ATOM 358 O VAL A 25 6.122 -2.907 -1.942 1.00 0.00 O ATOM 359 CB VAL A 25 6.137 -0.950 -4.035 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.633 -1.179 -4.181 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.635 0.031 -5.083 1.00 0.00 C ATOM 0 H VAL A 25 3.656 -1.117 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 25 5.509 -2.698 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 25 5.954 -0.520 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.156 -0.226 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.978 -1.845 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.839 -1.631 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.185 0.968 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.787 -0.389 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.573 0.219 -4.927 1.00 0.00 H new ATOM 371 N VAL A 26 6.203 -4.484 -3.545 1.00 0.00 N ATOM 372 CA VAL A 26 6.746 -5.510 -2.662 1.00 0.00 C ATOM 373 C VAL A 26 8.220 -5.257 -2.366 1.00 0.00 C ATOM 374 O VAL A 26 9.041 -5.168 -3.280 1.00 0.00 O ATOM 375 CB VAL A 26 6.589 -6.915 -3.272 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.860 -6.881 -4.768 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.514 -7.903 -2.576 1.00 0.00 C ATOM 0 H VAL A 26 6.053 -4.791 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 26 6.179 -5.460 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 26 5.561 -7.246 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.744 -7.883 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.154 -6.205 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.877 -6.530 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.391 -8.891 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.548 -7.579 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.267 -7.948 -1.515 1.00 0.00 H new ATOM 387 N LEU A 27 8.549 -5.143 -1.084 1.00 0.00 N ATOM 388 CA LEU A 27 9.926 -4.901 -0.667 1.00 0.00 C ATOM 389 C LEU A 27 10.600 -6.199 -0.234 1.00 0.00 C ATOM 390 O LEU A 27 11.772 -6.432 -0.532 1.00 0.00 O ATOM 391 CB LEU A 27 9.961 -3.888 0.479 1.00 0.00 C ATOM 392 CG LEU A 27 9.231 -2.567 0.230 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.049 -1.805 1.534 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.987 -1.722 -0.784 1.00 0.00 C ATOM 0 H LEU A 27 7.882 -5.214 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 27 10.472 -4.496 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.531 -4.356 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.003 -3.666 0.710 1.00 0.00 H new ATOM 0 HG LEU A 27 8.245 -2.790 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.528 -0.868 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.464 -2.407 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.025 -1.593 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.453 -0.786 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.987 -1.508 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.064 -2.266 -1.725 1.00 0.00 H new ATOM 406 N THR A 28 9.851 -7.043 0.469 1.00 0.00 N ATOM 407 CA THR A 28 10.375 -8.318 0.942 1.00 0.00 C ATOM 408 C THR A 28 9.287 -9.385 0.963 1.00 0.00 C ATOM 409 O THR A 28 8.092 -9.088 0.966 1.00 0.00 O ATOM 410 CB THR A 28 10.980 -8.188 2.353 1.00 0.00 C ATOM 411 OG1 THR A 28 10.284 -7.179 3.093 1.00 0.00 O ATOM 412 CG2 THR A 28 12.459 -7.840 2.278 1.00 0.00 C ATOM 0 H THR A 28 8.879 -6.866 0.723 1.00 0.00 H new ATOM 0 HA THR A 28 11.159 -8.616 0.246 1.00 0.00 H new ATOM 0 HB THR A 28 10.874 -9.147 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.673 -7.104 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.864 -7.753 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.991 -8.625 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.584 -6.892 1.754 1.00 0.00 H new ATOM 420 N PRO A 29 9.707 -10.659 0.981 1.00 0.00 N ATOM 421 CA PRO A 29 8.783 -11.797 1.004 1.00 0.00 C ATOM 422 C PRO A 29 8.047 -11.919 2.334 1.00 0.00 C ATOM 423 O PRO A 29 7.249 -12.835 2.532 1.00 0.00 O ATOM 424 CB PRO A 29 9.701 -13.003 0.788 1.00 0.00 C ATOM 425 CG PRO A 29 11.034 -12.557 1.280 1.00 0.00 C ATOM 426 CD PRO A 29 11.116 -11.086 0.979 1.00 0.00 C ATOM 0 HA PRO A 29 7.999 -11.701 0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.347 -13.874 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.742 -13.286 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.137 -12.743 2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.836 -13.102 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.698 -10.554 1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.591 -10.899 0.016 1.00 0.00 H new ATOM 434 N THR A 30 8.320 -10.988 3.244 1.00 0.00 N ATOM 435 CA THR A 30 7.684 -10.992 4.555 1.00 0.00 C ATOM 436 C THR A 30 7.067 -9.634 4.871 1.00 0.00 C ATOM 437 O THR A 30 6.392 -9.468 5.888 1.00 0.00 O ATOM 438 CB THR A 30 8.687 -11.358 5.665 1.00 0.00 C ATOM 439 OG1 THR A 30 9.818 -10.481 5.612 1.00 0.00 O ATOM 440 CG2 THR A 30 9.151 -12.800 5.521 1.00 0.00 C ATOM 0 H THR A 30 8.977 -10.222 3.096 1.00 0.00 H new ATOM 0 HA THR A 30 6.898 -11.747 4.522 1.00 0.00 H new ATOM 0 HB THR A 30 8.187 -11.248 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.450 -10.719 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.859 -13.036 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.292 -13.467 5.590 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.635 -12.931 4.553 1.00 0.00 H new ATOM 448 N THR A 31 7.303 -8.664 3.993 1.00 0.00 N ATOM 449 CA THR A 31 6.771 -7.320 4.179 1.00 0.00 C ATOM 450 C THR A 31 6.517 -6.639 2.839 1.00 0.00 C ATOM 451 O THR A 31 7.356 -6.684 1.939 1.00 0.00 O ATOM 452 CB THR A 31 7.728 -6.447 5.012 1.00 0.00 C ATOM 453 OG1 THR A 31 8.353 -7.238 6.029 1.00 0.00 O ATOM 454 CG2 THR A 31 6.983 -5.286 5.653 1.00 0.00 C ATOM 0 H THR A 31 7.859 -8.784 3.146 1.00 0.00 H new ATOM 0 HA THR A 31 5.828 -7.425 4.715 1.00 0.00 H new ATOM 0 HB THR A 31 8.490 -6.045 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.961 -6.676 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.680 -4.684 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.533 -4.669 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.202 -5.672 6.308 1.00 0.00 H new ATOM 462 N VAL A 32 5.355 -6.007 2.712 1.00 0.00 N ATOM 463 CA VAL A 32 4.991 -5.314 1.482 1.00 0.00 C ATOM 464 C VAL A 32 4.543 -3.885 1.767 1.00 0.00 C ATOM 465 O VAL A 32 3.846 -3.628 2.748 1.00 0.00 O ATOM 466 CB VAL A 32 3.866 -6.053 0.733 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.481 -5.299 -0.531 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.291 -7.477 0.405 1.00 0.00 C ATOM 0 H VAL A 32 4.649 -5.961 3.447 1.00 0.00 H new ATOM 0 HA VAL A 32 5.883 -5.294 0.855 1.00 0.00 H new ATOM 0 HB VAL A 32 2.991 -6.099 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.685 -5.836 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.133 -4.300 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.349 -5.220 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.484 -7.985 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.181 -7.455 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.513 -8.012 1.328 1.00 0.00 H new ATOM 478 N GLN A 33 4.947 -2.960 0.903 1.00 0.00 N ATOM 479 CA GLN A 33 4.587 -1.556 1.063 1.00 0.00 C ATOM 480 C GLN A 33 3.388 -1.199 0.191 1.00 0.00 C ATOM 481 O GLN A 33 3.379 -1.467 -1.011 1.00 0.00 O ATOM 482 CB GLN A 33 5.775 -0.659 0.709 1.00 0.00 C ATOM 483 CG GLN A 33 5.578 0.795 1.107 1.00 0.00 C ATOM 484 CD GLN A 33 6.554 1.726 0.415 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.542 1.283 -0.173 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.282 3.024 0.480 1.00 0.00 N ATOM 0 H GLN A 33 5.524 -3.157 0.085 1.00 0.00 H new ATOM 0 HA GLN A 33 4.316 -1.393 2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.669 -1.044 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.953 -0.712 -0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.559 1.099 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.693 0.891 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.452 3.347 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.903 3.698 0.032 1.00 0.00 H new ATOM 495 N VAL A 34 2.376 -0.594 0.804 1.00 0.00 N ATOM 496 CA VAL A 34 1.171 -0.199 0.084 1.00 0.00 C ATOM 497 C VAL A 34 1.005 1.316 0.078 1.00 0.00 C ATOM 498 O VAL A 34 1.061 1.962 1.125 1.00 0.00 O ATOM 499 CB VAL A 34 -0.087 -0.840 0.700 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.324 -0.465 -0.101 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.070 -2.351 0.779 1.00 0.00 C ATOM 0 H VAL A 34 2.366 -0.366 1.798 1.00 0.00 H new ATOM 0 HA VAL A 34 1.285 -0.553 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.210 -0.457 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.203 -0.927 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.443 0.618 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.214 -0.817 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.828 -2.788 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.218 -2.754 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.932 -2.595 1.400 1.00 0.00 H new ATOM 511 N THR A 35 0.800 1.879 -1.108 1.00 0.00 N ATOM 512 CA THR A 35 0.626 3.319 -1.251 1.00 0.00 C ATOM 513 C THR A 35 -0.644 3.646 -2.028 1.00 0.00 C ATOM 514 O THR A 35 -1.092 2.859 -2.862 1.00 0.00 O ATOM 515 CB THR A 35 1.830 3.962 -1.965 1.00 0.00 C ATOM 516 OG1 THR A 35 3.046 3.592 -1.305 1.00 0.00 O ATOM 517 CG2 THR A 35 1.701 5.478 -1.987 1.00 0.00 C ATOM 0 H THR A 35 0.750 1.359 -1.984 1.00 0.00 H new ATOM 0 HA THR A 35 0.548 3.729 -0.244 1.00 0.00 H new ATOM 0 HB THR A 35 1.850 3.600 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.807 4.003 -1.766 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.563 5.909 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.790 5.758 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.658 5.854 -0.965 1.00 0.00 H new ATOM 525 N TRP A 36 -1.219 4.810 -1.750 1.00 0.00 N ATOM 526 CA TRP A 36 -2.439 5.240 -2.424 1.00 0.00 C ATOM 527 C TRP A 36 -2.593 6.756 -2.356 1.00 0.00 C ATOM 528 O TRP A 36 -1.871 7.431 -1.621 1.00 0.00 O ATOM 529 CB TRP A 36 -3.658 4.563 -1.798 1.00 0.00 C ATOM 530 CG TRP A 36 -3.921 4.998 -0.388 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.612 6.106 0.012 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.496 4.335 0.807 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.642 6.171 1.385 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.965 5.096 1.896 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.766 3.171 1.064 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.725 4.730 3.218 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.529 2.809 2.377 1.00 0.00 C ATOM 538 CH2 TRP A 36 -3.008 3.586 3.440 1.00 0.00 C ATOM 0 H TRP A 36 -0.861 5.473 -1.063 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.368 4.947 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.536 4.778 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.514 3.483 -1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.068 6.825 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.095 6.902 1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.394 2.565 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.092 5.328 4.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.965 1.912 2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.807 3.276 4.455 1.00 0.00 H new ATOM 549 N THR A 37 -3.538 7.286 -3.125 1.00 0.00 N ATOM 550 CA THR A 37 -3.786 8.722 -3.152 1.00 0.00 C ATOM 551 C THR A 37 -5.279 9.021 -3.220 1.00 0.00 C ATOM 552 O THR A 37 -6.083 8.150 -3.556 1.00 0.00 O ATOM 553 CB THR A 37 -3.085 9.390 -4.350 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.161 10.815 -4.229 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.721 8.954 -5.661 1.00 0.00 C ATOM 0 H THR A 37 -4.145 6.742 -3.738 1.00 0.00 H new ATOM 0 HA THR A 37 -3.378 9.131 -2.227 1.00 0.00 H new ATOM 0 HB THR A 37 -2.040 9.080 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.712 11.233 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.209 9.439 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.637 7.872 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.773 9.238 -5.667 1.00 0.00 H new ATOM 563 N VAL A 38 -5.646 10.258 -2.900 1.00 0.00 N ATOM 564 CA VAL A 38 -7.043 10.672 -2.927 1.00 0.00 C ATOM 565 C VAL A 38 -7.190 12.072 -3.513 1.00 0.00 C ATOM 566 O VAL A 38 -6.233 12.845 -3.549 1.00 0.00 O ATOM 567 CB VAL A 38 -7.662 10.651 -1.516 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.579 9.255 -0.918 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.973 11.667 -0.617 1.00 0.00 C ATOM 0 H VAL A 38 -4.995 10.991 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.572 9.959 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.714 10.925 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.021 9.259 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.122 8.554 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.535 8.950 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.423 11.639 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.913 11.426 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.089 12.665 -1.040 1.00 0.00 H new ATOM 579 N ASP A 39 -8.396 12.392 -3.971 1.00 0.00 N ATOM 580 CA ASP A 39 -8.670 13.700 -4.554 1.00 0.00 C ATOM 581 C ASP A 39 -9.249 14.650 -3.511 1.00 0.00 C ATOM 582 O ASP A 39 -8.818 15.797 -3.394 1.00 0.00 O ATOM 583 CB ASP A 39 -9.637 13.564 -5.732 1.00 0.00 C ATOM 584 CG ASP A 39 -9.470 14.676 -6.749 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.916 15.808 -6.469 1.00 0.00 O ATOM 586 OD2 ASP A 39 -8.892 14.414 -7.824 1.00 0.00 O ATOM 0 H ASP A 39 -9.199 11.763 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.728 14.115 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.478 12.602 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.661 13.567 -5.360 1.00 0.00 H new ATOM 591 N ARG A 40 -10.229 14.165 -2.756 1.00 0.00 N ATOM 592 CA ARG A 40 -10.869 14.972 -1.724 1.00 0.00 C ATOM 593 C ARG A 40 -10.695 14.334 -0.349 1.00 0.00 C ATOM 594 O ARG A 40 -11.616 13.710 0.177 1.00 0.00 O ATOM 595 CB ARG A 40 -12.357 15.145 -2.032 1.00 0.00 C ATOM 596 CG ARG A 40 -12.630 15.739 -3.405 1.00 0.00 C ATOM 597 CD ARG A 40 -14.106 15.660 -3.762 1.00 0.00 C ATOM 598 NE ARG A 40 -14.856 16.800 -3.242 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.856 18.001 -3.809 1.00 0.00 C ATOM 600 NH1 ARG A 40 -14.149 18.218 -4.909 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.565 18.988 -3.275 1.00 0.00 N ATOM 0 H ARG A 40 -10.597 13.217 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.390 15.951 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.849 14.175 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.804 15.786 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.305 16.779 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.044 15.208 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.215 15.618 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.527 14.737 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.411 16.666 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.603 17.462 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.151 19.141 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.110 18.824 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.565 19.910 -3.711 1.00 0.00 H new ATOM 615 N GLN A 41 -9.507 14.494 0.226 1.00 0.00 N ATOM 616 CA GLN A 41 -9.212 13.933 1.539 1.00 0.00 C ATOM 617 C GLN A 41 -10.316 14.270 2.536 1.00 0.00 C ATOM 618 O GLN A 41 -10.589 15.436 2.826 1.00 0.00 O ATOM 619 CB GLN A 41 -7.869 14.456 2.051 1.00 0.00 C ATOM 620 CG GLN A 41 -7.534 13.995 3.460 1.00 0.00 C ATOM 621 CD GLN A 41 -8.040 14.950 4.523 1.00 0.00 C ATOM 622 OE1 GLN A 41 -8.594 16.005 4.213 1.00 0.00 O ATOM 623 NE2 GLN A 41 -7.852 14.585 5.786 1.00 0.00 N ATOM 0 H GLN A 41 -8.734 15.007 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.157 12.849 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.080 14.130 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.880 15.546 2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.966 13.009 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.453 13.890 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.388 13.702 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.172 15.188 6.544 1.00 0.00 H new ATOM 632 N PRO A 42 -10.967 13.229 3.074 1.00 0.00 N ATOM 633 CA PRO A 42 -12.052 13.390 4.047 1.00 0.00 C ATOM 634 C PRO A 42 -11.551 13.898 5.394 1.00 0.00 C ATOM 635 O PRO A 42 -10.431 13.595 5.804 1.00 0.00 O ATOM 636 CB PRO A 42 -12.617 11.974 4.186 1.00 0.00 C ATOM 637 CG PRO A 42 -11.486 11.077 3.820 1.00 0.00 C ATOM 638 CD PRO A 42 -10.695 11.813 2.774 1.00 0.00 C ATOM 0 HA PRO A 42 -12.786 14.126 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.961 11.783 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.472 11.822 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.869 10.853 4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.852 10.125 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.631 11.585 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.015 11.547 1.767 1.00 0.00 H new ATOM 646 N GLN A 43 -12.388 14.672 6.078 1.00 0.00 N ATOM 647 CA GLN A 43 -12.029 15.221 7.380 1.00 0.00 C ATOM 648 C GLN A 43 -12.429 14.270 8.502 1.00 0.00 C ATOM 649 O GLN A 43 -11.625 13.954 9.379 1.00 0.00 O ATOM 650 CB GLN A 43 -12.699 16.581 7.585 1.00 0.00 C ATOM 651 CG GLN A 43 -12.047 17.706 6.796 1.00 0.00 C ATOM 652 CD GLN A 43 -12.467 17.715 5.339 1.00 0.00 C ATOM 653 OE1 GLN A 43 -12.030 16.876 4.550 1.00 0.00 O ATOM 654 NE2 GLN A 43 -13.318 18.665 4.973 1.00 0.00 N ATOM 0 H GLN A 43 -13.319 14.933 5.752 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.947 15.349 7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.748 16.507 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.676 16.832 8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.306 18.662 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.963 17.607 6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.655 19.340 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.635 18.720 4.005 1.00 0.00 H new ATOM 663 N PHE A 44 -13.678 13.816 8.469 1.00 0.00 N ATOM 664 CA PHE A 44 -14.186 12.901 9.485 1.00 0.00 C ATOM 665 C PHE A 44 -13.307 11.658 9.586 1.00 0.00 C ATOM 666 O PHE A 44 -12.998 11.191 10.682 1.00 0.00 O ATOM 667 CB PHE A 44 -15.626 12.496 9.162 1.00 0.00 C ATOM 668 CG PHE A 44 -15.805 11.981 7.763 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.955 12.859 6.701 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.823 10.620 7.508 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.121 12.388 5.413 1.00 0.00 C ATOM 672 CE2 PHE A 44 -15.987 10.142 6.222 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.135 11.028 5.173 1.00 0.00 C ATOM 0 H PHE A 44 -14.357 14.067 7.750 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.167 13.417 10.445 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.946 11.728 9.867 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.279 13.356 9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.942 13.924 6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.707 9.923 8.325 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.240 13.083 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.999 9.078 6.038 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.262 10.658 4.166 1.00 0.00 H new ATOM 683 N ILE A 45 -12.909 11.128 8.435 1.00 0.00 N ATOM 684 CA ILE A 45 -12.065 9.940 8.393 1.00 0.00 C ATOM 685 C ILE A 45 -11.107 9.904 9.579 1.00 0.00 C ATOM 686 O ILE A 45 -10.437 10.892 9.878 1.00 0.00 O ATOM 687 CB ILE A 45 -11.250 9.873 7.087 1.00 0.00 C ATOM 688 CG1 ILE A 45 -10.826 8.432 6.798 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.033 10.782 7.176 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.124 8.264 5.469 1.00 0.00 C ATOM 0 H ILE A 45 -13.157 11.502 7.519 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.731 9.079 8.440 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.878 10.218 6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.165 8.089 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.708 7.791 6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.467 10.724 6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.358 11.810 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.401 10.464 8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.852 7.218 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.790 8.575 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.223 8.878 5.453 1.00 0.00 H new ATOM 702 N GLN A 46 -11.047 8.758 10.249 1.00 0.00 N ATOM 703 CA GLN A 46 -10.170 8.593 11.402 1.00 0.00 C ATOM 704 C GLN A 46 -8.823 8.015 10.983 1.00 0.00 C ATOM 705 O GLN A 46 -7.835 8.128 11.707 1.00 0.00 O ATOM 706 CB GLN A 46 -10.827 7.684 12.443 1.00 0.00 C ATOM 707 CG GLN A 46 -11.737 8.424 13.410 1.00 0.00 C ATOM 708 CD GLN A 46 -10.975 9.062 14.555 1.00 0.00 C ATOM 709 OE1 GLN A 46 -9.926 8.569 14.969 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.501 10.166 15.074 1.00 0.00 N ATOM 0 H GLN A 46 -11.595 7.930 10.014 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.002 9.576 11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.405 6.916 11.929 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.049 7.172 13.009 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.286 9.195 12.869 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.475 7.730 13.812 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.373 10.540 14.700 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.033 10.639 15.847 1.00 0.00 H new ATOM 719 N GLY A 47 -8.790 7.393 9.808 1.00 0.00 N ATOM 720 CA GLY A 47 -7.559 6.806 9.313 1.00 0.00 C ATOM 721 C GLY A 47 -7.750 6.087 7.992 1.00 0.00 C ATOM 722 O GLY A 47 -8.361 6.624 7.068 1.00 0.00 O ATOM 0 H GLY A 47 -9.594 7.285 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.810 7.588 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.171 6.105 10.052 1.00 0.00 H new ATOM 726 N TYR A 48 -7.224 4.871 7.901 1.00 0.00 N ATOM 727 CA TYR A 48 -7.336 4.079 6.682 1.00 0.00 C ATOM 728 C TYR A 48 -7.161 2.593 6.980 1.00 0.00 C ATOM 729 O TYR A 48 -6.125 2.169 7.494 1.00 0.00 O ATOM 730 CB TYR A 48 -6.294 4.531 5.658 1.00 0.00 C ATOM 731 CG TYR A 48 -6.619 5.858 5.009 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.596 5.952 4.026 1.00 0.00 C ATOM 733 CD2 TYR A 48 -5.947 7.017 5.378 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.896 7.162 3.431 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.241 8.231 4.789 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.216 8.299 3.816 1.00 0.00 C ATOM 737 OH TYR A 48 -7.511 9.506 3.225 1.00 0.00 O ATOM 0 H TYR A 48 -6.716 4.412 8.657 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.333 4.233 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.323 4.604 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.204 3.770 4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.130 5.064 3.722 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.182 6.968 6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.659 7.218 2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.710 9.122 5.089 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.943 10.206 3.610 1.00 0.00 H new ATOM 747 N ARG A 49 -8.181 1.806 6.652 1.00 0.00 N ATOM 748 CA ARG A 49 -8.141 0.367 6.884 1.00 0.00 C ATOM 749 C ARG A 49 -7.461 -0.352 5.723 1.00 0.00 C ATOM 750 O ARG A 49 -7.923 -0.290 4.584 1.00 0.00 O ATOM 751 CB ARG A 49 -9.557 -0.178 7.077 1.00 0.00 C ATOM 752 CG ARG A 49 -9.594 -1.599 7.617 1.00 0.00 C ATOM 753 CD ARG A 49 -10.885 -1.874 8.372 1.00 0.00 C ATOM 754 NE ARG A 49 -10.877 -1.279 9.705 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.757 -1.585 10.652 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.709 -2.475 10.414 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.684 -1.000 11.841 1.00 0.00 N ATOM 0 H ARG A 49 -9.045 2.141 6.225 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.562 0.185 7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.099 0.476 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.082 -0.147 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.496 -2.305 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.743 -1.760 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.728 -1.480 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.033 -2.951 8.457 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.156 -0.590 9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.768 -2.927 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.383 -2.708 11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.952 -0.315 12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.360 -1.235 12.568 1.00 0.00 H new ATOM 771 N VAL A 50 -6.359 -1.034 6.020 1.00 0.00 N ATOM 772 CA VAL A 50 -5.615 -1.766 5.002 1.00 0.00 C ATOM 773 C VAL A 50 -5.945 -3.254 5.043 1.00 0.00 C ATOM 774 O VAL A 50 -5.344 -4.012 5.803 1.00 0.00 O ATOM 775 CB VAL A 50 -4.096 -1.583 5.177 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.337 -2.410 4.151 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.721 -0.113 5.072 1.00 0.00 C ATOM 0 H VAL A 50 -5.962 -1.095 6.958 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.914 -1.357 4.037 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.817 -1.935 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.265 -2.268 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.583 -3.464 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.618 -2.091 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.644 -0.002 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.013 0.268 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.237 0.451 5.849 1.00 0.00 H new ATOM 787 N MET A 51 -6.905 -3.665 4.220 1.00 0.00 N ATOM 788 CA MET A 51 -7.314 -5.063 4.162 1.00 0.00 C ATOM 789 C MET A 51 -6.301 -5.893 3.379 1.00 0.00 C ATOM 790 O MET A 51 -5.698 -5.411 2.420 1.00 0.00 O ATOM 791 CB MET A 51 -8.697 -5.186 3.520 1.00 0.00 C ATOM 792 CG MET A 51 -9.839 -5.116 4.520 1.00 0.00 C ATOM 793 SD MET A 51 -10.309 -6.737 5.153 1.00 0.00 S ATOM 794 CE MET A 51 -11.250 -7.380 3.771 1.00 0.00 C ATOM 0 H MET A 51 -7.413 -3.050 3.585 1.00 0.00 H new ATOM 0 HA MET A 51 -7.360 -5.445 5.182 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.819 -4.391 2.785 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.755 -6.131 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.549 -4.475 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.703 -4.651 4.046 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.640 -8.366 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.079 -6.707 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.604 -7.459 2.896 1.00 0.00 H new ATOM 804 N TYR A 52 -6.120 -7.142 3.793 1.00 0.00 N ATOM 805 CA TYR A 52 -5.179 -8.038 3.132 1.00 0.00 C ATOM 806 C TYR A 52 -5.407 -9.483 3.564 1.00 0.00 C ATOM 807 O TYR A 52 -5.952 -9.744 4.637 1.00 0.00 O ATOM 808 CB TYR A 52 -3.741 -7.622 3.445 1.00 0.00 C ATOM 809 CG TYR A 52 -3.338 -7.867 4.882 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.755 -7.014 5.896 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.543 -8.953 5.225 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.389 -7.234 7.210 1.00 0.00 C ATOM 813 CE2 TYR A 52 -2.173 -9.182 6.536 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.598 -8.320 7.525 1.00 0.00 C ATOM 815 OH TYR A 52 -2.233 -8.543 8.833 1.00 0.00 O ATOM 0 H TYR A 52 -6.613 -7.557 4.584 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.345 -7.969 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.063 -8.167 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.621 -6.563 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.376 -6.164 5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.208 -9.630 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.720 -6.560 7.986 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.554 -10.031 6.785 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.794 -9.251 9.213 1.00 0.00 H new ATOM 825 N ARG A 53 -4.987 -10.420 2.719 1.00 0.00 N ATOM 826 CA ARG A 53 -5.146 -11.839 3.011 1.00 0.00 C ATOM 827 C ARG A 53 -4.420 -12.692 1.975 1.00 0.00 C ATOM 828 O ARG A 53 -4.006 -12.194 0.928 1.00 0.00 O ATOM 829 CB ARG A 53 -6.629 -12.212 3.047 1.00 0.00 C ATOM 830 CG ARG A 53 -7.274 -12.274 1.672 1.00 0.00 C ATOM 831 CD ARG A 53 -8.421 -13.272 1.639 1.00 0.00 C ATOM 832 NE ARG A 53 -8.906 -13.504 0.281 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.091 -14.037 0.006 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.908 -14.391 0.989 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.463 -14.216 -1.256 1.00 0.00 N ATOM 0 H ARG A 53 -4.534 -10.221 1.827 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.706 -12.034 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.740 -13.180 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.164 -11.484 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.642 -11.286 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.526 -12.553 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.092 -14.216 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.239 -12.904 2.258 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.302 -13.243 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.627 -14.254 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.817 -14.800 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.838 -13.944 -2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.373 -14.625 -1.466 1.00 0.00 H new ATOM 849 N GLN A 54 -4.270 -13.978 2.275 1.00 0.00 N ATOM 850 CA GLN A 54 -3.594 -14.899 1.369 1.00 0.00 C ATOM 851 C GLN A 54 -4.557 -15.430 0.312 1.00 0.00 C ATOM 852 O GLN A 54 -5.754 -15.575 0.564 1.00 0.00 O ATOM 853 CB GLN A 54 -2.986 -16.064 2.152 1.00 0.00 C ATOM 854 CG GLN A 54 -2.041 -16.924 1.329 1.00 0.00 C ATOM 855 CD GLN A 54 -1.655 -18.208 2.035 1.00 0.00 C ATOM 856 OE1 GLN A 54 -2.399 -19.189 2.015 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.486 -18.210 2.665 1.00 0.00 N ATOM 0 H GLN A 54 -4.607 -14.405 3.138 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.797 -14.352 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.447 -15.670 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.790 -16.690 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.512 -17.165 0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.140 -16.353 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.100 -17.375 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.174 -19.047 3.158 1.00 0.00 H new ATOM 866 N THR A 55 -4.028 -15.717 -0.873 1.00 0.00 N ATOM 867 CA THR A 55 -4.841 -16.230 -1.969 1.00 0.00 C ATOM 868 C THR A 55 -4.595 -17.718 -2.186 1.00 0.00 C ATOM 869 O THR A 55 -5.509 -18.463 -2.540 1.00 0.00 O ATOM 870 CB THR A 55 -4.554 -15.477 -3.281 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.166 -15.589 -3.617 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.934 -14.009 -3.158 1.00 0.00 C ATOM 0 H THR A 55 -3.040 -15.603 -1.099 1.00 0.00 H new ATOM 0 HA THR A 55 -5.883 -16.074 -1.690 1.00 0.00 H new ATOM 0 HB THR A 55 -5.156 -15.927 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.631 -15.085 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.722 -13.498 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.997 -13.926 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.356 -13.549 -2.357 1.00 0.00 H new ATOM 880 N SER A 56 -3.355 -18.146 -1.970 1.00 0.00 N ATOM 881 CA SER A 56 -2.988 -19.547 -2.145 1.00 0.00 C ATOM 882 C SER A 56 -2.219 -20.063 -0.933 1.00 0.00 C ATOM 883 O SER A 56 -1.444 -19.331 -0.319 1.00 0.00 O ATOM 884 CB SER A 56 -2.146 -19.721 -3.410 1.00 0.00 C ATOM 885 OG SER A 56 -2.284 -21.028 -3.939 1.00 0.00 O ATOM 0 H SER A 56 -2.588 -17.543 -1.674 1.00 0.00 H new ATOM 0 HA SER A 56 -3.905 -20.128 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.451 -18.989 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.098 -19.526 -3.183 1.00 0.00 H new ATOM 0 HG SER A 56 -1.737 -21.113 -4.748 1.00 0.00 H new ATOM 891 N GLY A 57 -2.440 -21.330 -0.595 1.00 0.00 N ATOM 892 CA GLY A 57 -1.761 -21.923 0.542 1.00 0.00 C ATOM 893 C GLY A 57 -2.725 -22.536 1.538 1.00 0.00 C ATOM 894 O GLY A 57 -3.760 -23.083 1.155 1.00 0.00 O ATOM 0 H GLY A 57 -3.077 -21.956 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.071 -22.690 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.163 -21.161 1.042 1.00 0.00 H new ATOM 898 N LEU A 58 -2.385 -22.448 2.819 1.00 0.00 N ATOM 899 CA LEU A 58 -3.228 -23.000 3.874 1.00 0.00 C ATOM 900 C LEU A 58 -4.198 -21.949 4.403 1.00 0.00 C ATOM 901 O LEU A 58 -5.401 -22.192 4.497 1.00 0.00 O ATOM 902 CB LEU A 58 -2.364 -23.534 5.017 1.00 0.00 C ATOM 903 CG LEU A 58 -3.002 -24.613 5.894 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.065 -24.007 6.797 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.597 -25.717 5.032 1.00 0.00 C ATOM 0 H LEU A 58 -1.532 -22.000 3.152 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.807 -23.821 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.444 -23.936 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.082 -22.696 5.654 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.226 -25.049 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.508 -24.789 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.610 -23.253 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.840 -23.544 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.047 -26.476 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.360 -25.296 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.811 -26.171 4.428 1.00 0.00 H new ATOM 917 N GLN A 59 -3.666 -20.779 4.744 1.00 0.00 N ATOM 918 CA GLN A 59 -4.486 -19.690 5.261 1.00 0.00 C ATOM 919 C GLN A 59 -5.158 -18.926 4.125 1.00 0.00 C ATOM 920 O GLN A 59 -5.767 -17.880 4.342 1.00 0.00 O ATOM 921 CB GLN A 59 -3.633 -18.735 6.099 1.00 0.00 C ATOM 922 CG GLN A 59 -3.125 -19.350 7.393 1.00 0.00 C ATOM 923 CD GLN A 59 -4.236 -19.957 8.227 1.00 0.00 C ATOM 924 OE1 GLN A 59 -5.326 -19.395 8.332 1.00 0.00 O ATOM 925 NE2 GLN A 59 -3.964 -21.111 8.826 1.00 0.00 N ATOM 0 H GLN A 59 -2.672 -20.562 4.672 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.263 -20.122 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.781 -18.405 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.221 -17.848 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.389 -20.119 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.613 -18.586 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.046 -21.541 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.673 -21.567 9.401 1.00 0.00 H new ATOM 934 N ALA A 60 -5.041 -19.457 2.912 1.00 0.00 N ATOM 935 CA ALA A 60 -5.639 -18.827 1.741 1.00 0.00 C ATOM 936 C ALA A 60 -7.160 -18.801 1.848 1.00 0.00 C ATOM 937 O ALA A 60 -7.772 -19.732 2.373 1.00 0.00 O ATOM 938 CB ALA A 60 -5.208 -19.551 0.474 1.00 0.00 C ATOM 0 H ALA A 60 -4.538 -20.322 2.715 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.287 -17.796 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.662 -19.070 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.122 -19.511 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.530 -20.591 0.522 1.00 0.00 H new ATOM 944 N THR A 61 -7.765 -17.728 1.347 1.00 0.00 N ATOM 945 CA THR A 61 -9.215 -17.581 1.388 1.00 0.00 C ATOM 946 C THR A 61 -9.787 -18.127 2.691 1.00 0.00 C ATOM 947 O THR A 61 -10.909 -18.632 2.723 1.00 0.00 O ATOM 948 CB THR A 61 -9.886 -18.301 0.203 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.293 -18.036 0.203 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.647 -19.801 0.276 1.00 0.00 C ATOM 0 H THR A 61 -7.274 -16.949 0.909 1.00 0.00 H new ATOM 0 HA THR A 61 -9.427 -16.514 1.322 1.00 0.00 H new ATOM 0 HB THR A 61 -9.446 -17.924 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.646 -18.143 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.130 -20.288 -0.571 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.576 -20.001 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.063 -20.191 1.205 1.00 0.00 H new ATOM 958 N SER A 62 -9.009 -18.023 3.763 1.00 0.00 N ATOM 959 CA SER A 62 -9.438 -18.510 5.069 1.00 0.00 C ATOM 960 C SER A 62 -10.092 -17.394 5.877 1.00 0.00 C ATOM 961 O SER A 62 -11.102 -17.608 6.548 1.00 0.00 O ATOM 962 CB SER A 62 -8.247 -19.082 5.840 1.00 0.00 C ATOM 963 OG SER A 62 -8.670 -19.723 7.031 1.00 0.00 O ATOM 0 H SER A 62 -8.078 -17.606 3.753 1.00 0.00 H new ATOM 0 HA SER A 62 -10.173 -19.299 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.711 -19.793 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.549 -18.281 6.083 1.00 0.00 H new ATOM 0 HG SER A 62 -7.890 -20.081 7.504 1.00 0.00 H new ATOM 969 N SER A 63 -9.508 -16.202 5.808 1.00 0.00 N ATOM 970 CA SER A 63 -10.031 -15.051 6.536 1.00 0.00 C ATOM 971 C SER A 63 -9.274 -13.781 6.161 1.00 0.00 C ATOM 972 O SER A 63 -8.060 -13.806 5.959 1.00 0.00 O ATOM 973 CB SER A 63 -9.936 -15.289 8.044 1.00 0.00 C ATOM 974 OG SER A 63 -10.974 -14.614 8.734 1.00 0.00 O ATOM 0 H SER A 63 -8.673 -16.008 5.256 1.00 0.00 H new ATOM 0 HA SER A 63 -11.078 -14.923 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.993 -16.358 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.969 -14.945 8.409 1.00 0.00 H new ATOM 0 HG SER A 63 -10.892 -14.784 9.696 1.00 0.00 H new ATOM 980 N TRP A 64 -10.000 -12.673 6.070 1.00 0.00 N ATOM 981 CA TRP A 64 -9.398 -11.392 5.719 1.00 0.00 C ATOM 982 C TRP A 64 -8.906 -10.662 6.964 1.00 0.00 C ATOM 983 O TRP A 64 -9.534 -10.727 8.020 1.00 0.00 O ATOM 984 CB TRP A 64 -10.405 -10.520 4.966 1.00 0.00 C ATOM 985 CG TRP A 64 -10.422 -10.773 3.489 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.202 -11.673 2.821 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.622 -10.119 2.498 1.00 0.00 C ATOM 988 NE1 TRP A 64 -10.935 -11.618 1.474 1.00 0.00 N ATOM 989 CE2 TRP A 64 -9.970 -10.672 1.250 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.647 -9.119 2.543 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.375 -10.258 0.061 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.058 -8.709 1.362 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.424 -9.277 0.135 1.00 0.00 C ATOM 0 H TRP A 64 -11.006 -12.636 6.234 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.542 -11.587 5.073 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.402 -10.698 5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.171 -9.470 5.145 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.923 -12.331 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.383 -12.189 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.359 -8.674 3.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.654 -10.696 -0.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.303 -7.937 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.946 -8.934 -0.771 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.780 -9.969 6.832 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.204 -9.227 7.948 1.00 0.00 C ATOM 1006 C GLN A 65 -7.506 -7.738 7.825 1.00 0.00 C ATOM 1007 O GLN A 65 -8.024 -7.281 6.807 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.692 -9.450 8.011 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.287 -10.628 8.882 1.00 0.00 C ATOM 1010 CD GLN A 65 -4.994 -10.222 10.313 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.858 -10.319 10.778 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -6.020 -9.764 11.021 1.00 0.00 N ATOM 0 H GLN A 65 -7.248 -9.906 5.964 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.656 -9.596 8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.314 -9.609 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.215 -8.547 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.084 -11.371 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.404 -11.104 8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.945 -9.700 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.883 -9.476 11.990 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.178 -6.984 8.870 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.415 -5.545 8.879 1.00 0.00 C ATOM 1023 C ASN A 66 -6.310 -4.817 9.638 1.00 0.00 C ATOM 1024 O ASN A 66 -6.012 -5.143 10.788 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.773 -5.235 9.512 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.817 -6.286 9.186 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.727 -7.427 9.639 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.814 -5.904 8.396 1.00 0.00 N ATOM 0 H ASN A 66 -6.748 -7.346 9.721 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.414 -5.195 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.659 -5.164 10.594 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.120 -4.262 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.546 -6.567 8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.848 -4.947 8.044 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.705 -3.829 8.987 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.633 -3.053 9.599 1.00 0.00 C ATOM 1037 C LEU A 67 -4.982 -1.568 9.626 1.00 0.00 C ATOM 1038 O LEU A 67 -4.831 -0.866 8.626 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.323 -3.266 8.838 1.00 0.00 C ATOM 1040 CG LEU A 67 -2.189 -2.295 9.167 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.380 -2.801 10.351 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.293 -2.090 7.954 1.00 0.00 C ATOM 0 H LEU A 67 -5.939 -3.547 8.035 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.510 -3.398 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.974 -4.280 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.532 -3.201 7.770 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.626 -1.334 9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.577 -2.097 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.029 -2.895 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.953 -3.775 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.491 -1.396 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.864 -3.046 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.881 -1.681 7.132 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.448 -1.097 10.778 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.815 0.306 10.937 1.00 0.00 C ATOM 1056 C ASP A 68 -4.575 1.177 11.106 1.00 0.00 C ATOM 1057 O ASP A 68 -3.791 0.984 12.035 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.743 0.478 12.140 1.00 0.00 C ATOM 1059 CG ASP A 68 -7.807 -0.600 12.210 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -8.752 -0.555 11.396 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -7.695 -1.488 13.081 1.00 0.00 O ATOM 0 H ASP A 68 -5.580 -1.665 11.615 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.339 0.624 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.152 0.461 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.223 1.455 12.088 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.403 2.135 10.202 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.258 3.037 10.252 1.00 0.00 C ATOM 1068 C ALA A 69 -3.334 3.954 11.468 1.00 0.00 C ATOM 1069 O ALA A 69 -2.311 4.338 12.033 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.177 3.858 8.973 1.00 0.00 C ATOM 0 H ALA A 69 -5.042 2.307 9.426 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.355 2.433 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.318 4.527 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.067 3.190 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.088 4.446 8.859 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.554 4.301 11.866 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.764 5.173 13.015 1.00 0.00 C ATOM 1078 C LYS A 70 -4.131 6.541 12.784 1.00 0.00 C ATOM 1079 O LYS A 70 -3.619 7.165 13.714 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.181 4.536 14.278 1.00 0.00 C ATOM 1081 CG LYS A 70 -5.002 3.373 14.809 1.00 0.00 C ATOM 1082 CD LYS A 70 -4.406 2.805 16.085 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.343 1.802 16.740 1.00 0.00 C ATOM 1084 NZ LYS A 70 -4.844 1.366 18.074 1.00 0.00 N ATOM 0 H LYS A 70 -5.412 3.991 11.409 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.838 5.307 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.170 4.189 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.100 5.297 15.054 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.023 3.704 15.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.057 2.590 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.455 2.323 15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.195 3.616 16.782 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.332 2.247 16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.455 0.933 16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.510 0.683 18.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.911 0.918 17.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.761 2.192 18.701 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.170 7.003 11.538 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.602 8.299 11.186 1.00 0.00 C ATOM 1100 C VAL A 71 -3.939 8.674 9.747 1.00 0.00 C ATOM 1101 O VAL A 71 -3.379 8.135 8.792 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.071 8.308 11.362 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.452 7.082 10.708 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.477 9.586 10.790 1.00 0.00 C ATOM 0 H VAL A 71 -4.589 6.499 10.756 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.042 9.032 11.862 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.844 8.275 12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.371 7.105 10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.856 6.181 11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.686 7.081 9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.395 9.576 10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.712 9.653 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.898 10.447 11.309 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.876 9.620 9.586 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.309 10.089 8.266 1.00 0.00 C ATOM 1116 C PRO A 72 -4.229 10.899 7.557 1.00 0.00 C ATOM 1117 O PRO A 72 -4.379 11.267 6.391 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.519 10.971 8.583 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.297 11.431 9.983 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.585 10.304 10.680 1.00 0.00 C ATOM 0 HA PRO A 72 -5.533 9.262 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.585 11.814 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.451 10.412 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.700 12.343 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.243 11.658 10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.894 10.673 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.285 9.637 11.184 1.00 0.00 H new ATOM 1128 N THR A 73 -3.140 11.175 8.267 1.00 0.00 N ATOM 1129 CA THR A 73 -2.035 11.942 7.705 1.00 0.00 C ATOM 1130 C THR A 73 -1.073 11.041 6.939 1.00 0.00 C ATOM 1131 O THR A 73 0.017 11.465 6.557 1.00 0.00 O ATOM 1132 CB THR A 73 -1.256 12.691 8.802 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.527 11.759 9.608 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.200 13.499 9.680 1.00 0.00 C ATOM 0 H THR A 73 -2.999 10.879 9.233 1.00 0.00 H new ATOM 0 HA THR A 73 -2.471 12.668 7.019 1.00 0.00 H new ATOM 0 HB THR A 73 -0.559 13.376 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.033 12.243 10.302 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.627 14.019 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.732 14.227 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.918 12.830 10.154 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.484 9.796 6.718 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.657 8.836 5.997 1.00 0.00 C ATOM 1144 C GLU A 74 -1.477 8.090 4.949 1.00 0.00 C ATOM 1145 O GLU A 74 -2.532 7.532 5.252 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.027 7.839 6.972 1.00 0.00 C ATOM 1147 CG GLU A 74 1.334 8.271 7.490 1.00 0.00 C ATOM 1148 CD GLU A 74 2.472 7.799 6.606 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.761 8.478 5.599 1.00 0.00 O ATOM 1150 OE2 GLU A 74 3.073 6.751 6.921 1.00 0.00 O ATOM 0 H GLU A 74 -2.384 9.429 7.028 1.00 0.00 H new ATOM 0 HA GLU A 74 0.135 9.387 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.700 7.696 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.072 6.873 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.362 9.358 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.476 7.880 8.498 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.985 8.085 3.714 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.672 7.409 2.620 1.00 0.00 C ATOM 1159 C ARG A 75 -0.882 6.191 2.152 1.00 0.00 C ATOM 1160 O ARG A 75 -1.062 5.716 1.030 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.885 8.373 1.451 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.751 9.572 1.801 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.494 10.097 0.582 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.722 11.106 -0.138 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.696 12.390 0.200 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.395 12.819 1.242 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.969 13.248 -0.504 1.00 0.00 N ATOM 0 H ARG A 75 -0.113 8.542 3.446 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.642 7.072 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.915 8.726 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.345 7.832 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.468 9.292 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.128 10.363 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.721 9.268 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.447 10.525 0.895 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.173 10.808 -0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.954 12.162 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.373 13.806 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.429 12.922 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.950 14.234 -0.244 1.00 0.00 H new ATOM 1181 N SER A 76 -0.008 5.690 3.018 1.00 0.00 N ATOM 1182 CA SER A 76 0.813 4.530 2.692 1.00 0.00 C ATOM 1183 C SER A 76 1.152 3.733 3.948 1.00 0.00 C ATOM 1184 O SER A 76 1.696 4.274 4.911 1.00 0.00 O ATOM 1185 CB SER A 76 2.099 4.970 1.990 1.00 0.00 C ATOM 1186 OG SER A 76 2.948 5.677 2.878 1.00 0.00 O ATOM 0 H SER A 76 0.150 6.069 3.952 1.00 0.00 H new ATOM 0 HA SER A 76 0.242 3.889 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.622 4.096 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.853 5.602 1.136 1.00 0.00 H new ATOM 0 HG SER A 76 2.727 5.437 3.802 1.00 0.00 H new ATOM 1192 N ALA A 77 0.826 2.445 3.930 1.00 0.00 N ATOM 1193 CA ALA A 77 1.097 1.573 5.066 1.00 0.00 C ATOM 1194 C ALA A 77 1.925 0.364 4.644 1.00 0.00 C ATOM 1195 O ALA A 77 2.112 0.111 3.454 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.206 1.124 5.710 1.00 0.00 C ATOM 0 H ALA A 77 0.374 1.982 3.141 1.00 0.00 H new ATOM 0 HA ALA A 77 1.674 2.139 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.012 0.473 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.760 1.996 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.805 0.580 4.979 1.00 0.00 H new ATOM 1202 N VAL A 78 2.420 -0.381 5.628 1.00 0.00 N ATOM 1203 CA VAL A 78 3.228 -1.565 5.359 1.00 0.00 C ATOM 1204 C VAL A 78 2.730 -2.764 6.158 1.00 0.00 C ATOM 1205 O VAL A 78 2.496 -2.666 7.363 1.00 0.00 O ATOM 1206 CB VAL A 78 4.711 -1.320 5.692 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.533 -2.571 5.425 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.248 -0.140 4.896 1.00 0.00 C ATOM 0 H VAL A 78 2.276 -0.185 6.619 1.00 0.00 H new ATOM 0 HA VAL A 78 3.133 -1.777 4.294 1.00 0.00 H new ATOM 0 HB VAL A 78 4.792 -1.081 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.578 -2.378 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.163 -3.389 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.448 -2.845 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.297 0.019 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.154 -0.347 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.677 0.755 5.143 1.00 0.00 H new ATOM 1218 N LEU A 79 2.570 -3.895 5.480 1.00 0.00 N ATOM 1219 CA LEU A 79 2.100 -5.115 6.127 1.00 0.00 C ATOM 1220 C LEU A 79 3.270 -6.025 6.487 1.00 0.00 C ATOM 1221 O LEU A 79 4.275 -6.073 5.778 1.00 0.00 O ATOM 1222 CB LEU A 79 1.125 -5.857 5.212 1.00 0.00 C ATOM 1223 CG LEU A 79 0.004 -5.015 4.601 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.424 -5.588 3.259 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -1.182 -4.936 5.552 1.00 0.00 C ATOM 0 H LEU A 79 2.759 -3.993 4.482 1.00 0.00 H new ATOM 0 HA LEU A 79 1.585 -4.835 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.694 -6.312 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.673 -6.670 5.780 1.00 0.00 H new ATOM 0 HG LEU A 79 0.382 -4.006 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.222 -4.976 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.426 -5.592 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.783 -6.608 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.970 -4.333 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.559 -5.940 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.867 -4.478 6.490 1.00 0.00 H new ATOM 1237 N VAL A 80 3.131 -6.748 7.595 1.00 0.00 N ATOM 1238 CA VAL A 80 4.175 -7.659 8.048 1.00 0.00 C ATOM 1239 C VAL A 80 3.601 -9.034 8.373 1.00 0.00 C ATOM 1240 O VAL A 80 2.390 -9.243 8.308 1.00 0.00 O ATOM 1241 CB VAL A 80 4.899 -7.110 9.292 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.773 -5.922 8.920 1.00 0.00 C ATOM 1243 CG2 VAL A 80 3.893 -6.727 10.367 1.00 0.00 C ATOM 0 H VAL A 80 2.306 -6.720 8.194 1.00 0.00 H new ATOM 0 HA VAL A 80 4.891 -7.751 7.231 1.00 0.00 H new ATOM 0 HB VAL A 80 5.543 -7.893 9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.276 -5.547 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.517 -6.233 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.153 -5.133 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.421 -6.341 11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.222 -5.960 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.314 -7.605 10.653 1.00 0.00 H new ATOM 1253 N ASN A 81 4.478 -9.968 8.725 1.00 0.00 N ATOM 1254 CA ASN A 81 4.058 -11.323 9.061 1.00 0.00 C ATOM 1255 C ASN A 81 3.272 -11.949 7.914 1.00 0.00 C ATOM 1256 O ASN A 81 2.169 -12.461 8.109 1.00 0.00 O ATOM 1257 CB ASN A 81 3.208 -11.315 10.333 1.00 0.00 C ATOM 1258 CG ASN A 81 4.050 -11.374 11.593 1.00 0.00 C ATOM 1259 OD1 ASN A 81 4.204 -12.432 12.202 1.00 0.00 O ATOM 1260 ND2 ASN A 81 4.601 -10.232 11.989 1.00 0.00 N ATOM 0 H ASN A 81 5.484 -9.811 8.785 1.00 0.00 H new ATOM 0 HA ASN A 81 4.952 -11.922 9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.595 -10.414 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.525 -12.165 10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.179 -10.209 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.446 -9.378 11.453 1.00 0.00 H new ATOM 1267 N LEU A 82 3.846 -11.905 6.717 1.00 0.00 N ATOM 1268 CA LEU A 82 3.200 -12.469 5.537 1.00 0.00 C ATOM 1269 C LEU A 82 3.903 -13.746 5.088 1.00 0.00 C ATOM 1270 O LEU A 82 4.973 -14.089 5.592 1.00 0.00 O ATOM 1271 CB LEU A 82 3.195 -11.448 4.397 1.00 0.00 C ATOM 1272 CG LEU A 82 2.584 -10.084 4.720 1.00 0.00 C ATOM 1273 CD1 LEU A 82 2.934 -9.073 3.639 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.075 -10.200 4.877 1.00 0.00 C ATOM 0 H LEU A 82 4.758 -11.484 6.538 1.00 0.00 H new ATOM 0 HA LEU A 82 2.172 -12.716 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.223 -11.295 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.652 -11.877 3.555 1.00 0.00 H new ATOM 0 HG LEU A 82 3.001 -9.734 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.491 -8.108 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.017 -8.969 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.545 -9.416 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.657 -9.220 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.640 -10.572 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.846 -10.891 5.688 1.00 0.00 H new ATOM 1286 N LYS A 83 3.296 -14.446 4.136 1.00 0.00 N ATOM 1287 CA LYS A 83 3.865 -15.684 3.616 1.00 0.00 C ATOM 1288 C LYS A 83 4.720 -15.413 2.381 1.00 0.00 C ATOM 1289 O LYS A 83 4.352 -14.611 1.523 1.00 0.00 O ATOM 1290 CB LYS A 83 2.751 -16.675 3.270 1.00 0.00 C ATOM 1291 CG LYS A 83 2.353 -17.570 4.431 1.00 0.00 C ATOM 1292 CD LYS A 83 3.265 -18.780 4.541 1.00 0.00 C ATOM 1293 CE LYS A 83 2.737 -19.953 3.729 1.00 0.00 C ATOM 1294 NZ LYS A 83 1.728 -20.743 4.488 1.00 0.00 N ATOM 0 H LYS A 83 2.410 -14.177 3.709 1.00 0.00 H new ATOM 0 HA LYS A 83 4.501 -16.116 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.875 -16.121 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.076 -17.298 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.389 -17.000 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.323 -17.901 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.264 -18.516 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.358 -19.073 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.290 -19.584 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.566 -20.601 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.392 -21.533 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.161 -21.117 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.925 -20.132 4.737 1.00 0.00 H new ATOM 1308 N LYS A 84 5.861 -16.089 2.298 1.00 0.00 N ATOM 1309 CA LYS A 84 6.767 -15.924 1.168 1.00 0.00 C ATOM 1310 C LYS A 84 6.419 -16.897 0.045 1.00 0.00 C ATOM 1311 O LYS A 84 6.289 -18.099 0.271 1.00 0.00 O ATOM 1312 CB LYS A 84 8.215 -16.139 1.613 1.00 0.00 C ATOM 1313 CG LYS A 84 8.489 -17.539 2.137 1.00 0.00 C ATOM 1314 CD LYS A 84 9.966 -17.747 2.427 1.00 0.00 C ATOM 1315 CE LYS A 84 10.368 -17.115 3.751 1.00 0.00 C ATOM 1316 NZ LYS A 84 11.803 -17.356 4.066 1.00 0.00 N ATOM 0 H LYS A 84 6.180 -16.756 3.000 1.00 0.00 H new ATOM 0 HA LYS A 84 6.657 -14.907 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.878 -15.939 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.459 -15.415 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.912 -17.708 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.154 -18.274 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.187 -18.814 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.560 -17.316 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.179 -16.042 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.747 -17.520 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.038 -16.910 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.978 -18.379 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.396 -16.947 3.316 1.00 0.00 H new ATOM 1330 N GLY A 85 6.271 -16.368 -1.166 1.00 0.00 N ATOM 1331 CA GLY A 85 5.941 -17.204 -2.305 1.00 0.00 C ATOM 1332 C GLY A 85 4.449 -17.431 -2.445 1.00 0.00 C ATOM 1333 O GLY A 85 3.991 -18.571 -2.514 1.00 0.00 O ATOM 0 H GLY A 85 6.374 -15.376 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.322 -16.740 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.444 -18.166 -2.204 1.00 0.00 H new ATOM 1337 N VAL A 86 3.687 -16.342 -2.485 1.00 0.00 N ATOM 1338 CA VAL A 86 2.238 -16.428 -2.616 1.00 0.00 C ATOM 1339 C VAL A 86 1.628 -15.056 -2.884 1.00 0.00 C ATOM 1340 O VAL A 86 2.094 -14.044 -2.359 1.00 0.00 O ATOM 1341 CB VAL A 86 1.594 -17.025 -1.352 1.00 0.00 C ATOM 1342 CG1 VAL A 86 1.987 -16.222 -0.121 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.081 -17.081 -1.500 1.00 0.00 C ATOM 0 H VAL A 86 4.050 -15.390 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 86 2.036 -17.085 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 86 1.962 -18.043 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.522 -16.659 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.071 -16.239 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.650 -15.192 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.357 -17.506 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.307 -16.074 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.178 -17.703 -2.356 1.00 0.00 H new ATOM 1353 N THR A 87 0.583 -15.029 -3.705 1.00 0.00 N ATOM 1354 CA THR A 87 -0.091 -13.782 -4.044 1.00 0.00 C ATOM 1355 C THR A 87 -0.954 -13.291 -2.887 1.00 0.00 C ATOM 1356 O THR A 87 -1.680 -14.069 -2.268 1.00 0.00 O ATOM 1357 CB THR A 87 -0.974 -13.942 -5.296 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.411 -14.927 -6.170 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.110 -12.620 -6.035 1.00 0.00 C ATOM 0 H THR A 87 0.185 -15.857 -4.148 1.00 0.00 H new ATOM 0 HA THR A 87 0.688 -13.048 -4.250 1.00 0.00 H new ATOM 0 HB THR A 87 -1.965 -14.265 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.979 -15.024 -6.963 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.738 -12.758 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.566 -11.880 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.124 -12.273 -6.343 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.869 -11.997 -2.600 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.642 -11.403 -1.515 1.00 0.00 C ATOM 1369 C TYR A 88 -2.517 -10.264 -2.030 1.00 0.00 C ATOM 1370 O TYR A 88 -2.019 -9.293 -2.598 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.708 -10.888 -0.419 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.438 -11.900 0.671 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.292 -12.022 1.761 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.672 -12.734 0.612 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -1.049 -12.945 2.759 1.00 0.00 C ATOM 1376 CE2 TYR A 88 0.922 -13.661 1.606 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.059 -13.762 2.677 1.00 0.00 C ATOM 1378 OH TYR A 88 0.306 -14.683 3.669 1.00 0.00 O ATOM 0 H TYR A 88 -0.273 -11.339 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.290 -12.175 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.239 -10.591 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.143 -9.994 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.161 -11.384 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.351 -12.656 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.723 -13.027 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.788 -14.303 1.544 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.133 -15.530 3.446 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.824 -10.392 -1.826 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.770 -9.374 -2.269 1.00 0.00 C ATOM 1390 C GLU A 89 -4.933 -8.286 -1.212 1.00 0.00 C ATOM 1391 O GLU A 89 -5.267 -8.570 -0.061 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.128 -10.008 -2.579 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.129 -9.037 -3.180 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.546 -9.577 -3.167 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.744 -10.735 -3.592 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.457 -8.842 -2.731 1.00 0.00 O ATOM 0 H GLU A 89 -4.252 -11.190 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.375 -8.918 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.982 -10.840 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.544 -10.424 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.097 -8.099 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.840 -8.812 -4.206 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.695 -7.042 -1.611 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.816 -5.911 -0.698 1.00 0.00 C ATOM 1405 C ILE A 90 -5.619 -4.779 -1.329 1.00 0.00 C ATOM 1406 O ILE A 90 -5.518 -4.525 -2.530 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.435 -5.375 -0.280 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.501 -6.532 0.078 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.572 -4.415 0.892 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.042 -6.240 -0.198 1.00 0.00 C ATOM 0 H ILE A 90 -4.417 -6.791 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.338 -6.274 0.187 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.003 -4.832 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.621 -6.772 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.799 -7.416 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.587 -4.045 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.206 -3.576 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.022 -4.935 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.439 -7.104 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.907 -6.030 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.727 -5.375 0.386 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.417 -4.100 -0.512 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.236 -2.991 -0.988 1.00 0.00 C ATOM 1424 C LYS A 91 -7.385 -1.922 0.090 1.00 0.00 C ATOM 1425 O LYS A 91 -7.523 -2.235 1.273 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.616 -3.497 -1.414 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.548 -3.777 -0.247 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.247 -5.120 0.397 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.580 -6.273 -0.537 1.00 0.00 C ATOM 1430 NZ LYS A 91 -10.951 -6.149 -1.105 1.00 0.00 N ATOM 0 H LYS A 91 -6.514 -4.298 0.484 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.737 -2.546 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.079 -2.758 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.495 -4.409 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.450 -2.986 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.581 -3.762 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.193 -5.165 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.821 -5.220 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.853 -6.305 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.495 -7.215 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.343 -7.097 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.560 -5.638 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.909 -5.626 -2.003 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.356 -0.660 -0.326 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.490 0.455 0.603 1.00 0.00 C ATOM 1446 C VAL A 92 -8.938 0.925 0.692 1.00 0.00 C ATOM 1447 O VAL A 92 -9.695 0.820 -0.273 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.600 1.641 0.189 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.643 2.735 1.245 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.172 1.177 -0.052 1.00 0.00 C ATOM 0 H VAL A 92 -7.241 -0.384 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.168 0.094 1.580 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.985 2.054 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.008 3.565 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.668 3.087 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.284 2.338 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.557 2.028 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.773 0.738 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.161 0.432 -0.847 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.315 1.446 1.855 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.673 1.932 2.070 1.00 0.00 C ATOM 1462 C ARG A 93 -10.734 2.853 3.285 1.00 0.00 C ATOM 1463 O ARG A 93 -10.423 2.459 4.409 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.635 0.758 2.257 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.460 0.033 3.581 1.00 0.00 C ATOM 1466 CD ARG A 93 -11.884 -1.424 3.479 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.111 -1.584 2.703 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.443 -2.706 2.075 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -12.644 -3.762 2.132 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -14.577 -2.774 1.390 1.00 0.00 N ATOM 0 H ARG A 93 -8.700 1.542 2.663 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.972 2.500 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.659 1.124 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.492 0.048 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.417 0.089 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.049 0.531 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.084 -2.003 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.033 -1.829 4.480 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.748 -0.790 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.772 -3.714 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.901 -4.623 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.195 -1.964 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.831 -3.636 0.908 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.145 4.109 3.056 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.256 5.112 4.120 1.00 0.00 C ATOM 1486 C PRO A 94 -12.399 4.810 5.083 1.00 0.00 C ATOM 1487 O PRO A 94 -13.570 4.857 4.706 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.530 6.410 3.356 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.158 5.973 2.078 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.532 4.647 1.741 1.00 0.00 C ATOM 0 HA PRO A 94 -10.362 5.148 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.193 7.068 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.609 6.965 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.238 5.878 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.980 6.701 1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.234 3.990 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.669 4.765 1.085 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.052 4.500 6.327 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.049 4.188 7.344 1.00 0.00 C ATOM 1500 C TYR A 95 -13.098 5.278 8.411 1.00 0.00 C ATOM 1501 O TYR A 95 -12.105 5.959 8.666 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.741 2.838 7.993 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.728 2.920 9.112 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.120 3.226 10.410 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.378 2.694 8.872 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.198 3.303 11.435 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.449 2.768 9.892 1.00 0.00 C ATOM 1508 CZ TYR A 95 -9.864 3.073 11.171 1.00 0.00 C ATOM 1509 OH TYR A 95 -8.941 3.149 12.190 1.00 0.00 O ATOM 0 H TYR A 95 -11.087 4.458 6.656 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.023 4.136 6.858 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.666 2.412 8.382 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.372 2.153 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.164 3.407 10.620 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.049 2.456 7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.520 3.542 12.438 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.404 2.588 9.689 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.367 2.898 13.036 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.263 5.437 9.031 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.444 6.443 10.071 1.00 0.00 C ATOM 1521 C PHE A 96 -14.366 5.813 11.458 1.00 0.00 C ATOM 1522 O PHE A 96 -13.362 5.945 12.156 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.788 7.152 9.895 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.034 8.231 10.910 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.124 9.262 11.081 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.176 8.215 11.695 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.347 10.256 12.014 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.406 9.208 12.629 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.489 10.229 12.790 1.00 0.00 C ATOM 0 H PHE A 96 -15.095 4.882 8.831 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.640 7.174 9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.832 7.587 8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.589 6.416 9.958 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.229 9.289 10.477 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.895 7.418 11.576 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.629 11.053 12.136 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.302 9.186 13.232 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.665 11.004 13.521 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.435 5.128 11.851 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.490 4.477 13.155 1.00 0.00 C ATOM 1541 C ASN A 97 -15.548 2.960 13.004 1.00 0.00 C ATOM 1542 O ASN A 97 -14.705 2.241 13.539 1.00 0.00 O ATOM 1543 CB ASN A 97 -16.705 4.970 13.943 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.442 6.286 14.649 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -15.349 6.844 14.558 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -17.447 6.788 15.357 1.00 0.00 N ATOM 0 H ASN A 97 -16.275 5.009 11.285 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.582 4.735 13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.551 5.087 13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.988 4.217 14.678 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.330 7.671 15.854 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.336 6.290 15.404 1.00 0.00 H new ATOM 1553 N GLU A 98 -16.549 2.482 12.272 1.00 0.00 N ATOM 1554 CA GLU A 98 -16.716 1.050 12.051 1.00 0.00 C ATOM 1555 C GLU A 98 -16.879 0.744 10.565 1.00 0.00 C ATOM 1556 O GLU A 98 -16.266 -0.186 10.041 1.00 0.00 O ATOM 1557 CB GLU A 98 -17.929 0.531 12.826 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.211 1.291 12.532 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.322 0.963 13.510 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -20.379 1.604 14.580 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.135 0.065 13.205 1.00 0.00 O ATOM 0 H GLU A 98 -17.256 3.064 11.822 1.00 0.00 H new ATOM 0 HA GLU A 98 -15.820 0.545 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.078 -0.522 12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.719 0.589 13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.009 2.362 12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.543 1.058 11.520 1.00 0.00 H new ATOM 1568 N PHE A 99 -17.711 1.533 9.893 1.00 0.00 N ATOM 1569 CA PHE A 99 -17.957 1.346 8.467 1.00 0.00 C ATOM 1570 C PHE A 99 -16.705 1.659 7.654 1.00 0.00 C ATOM 1571 O PHE A 99 -15.825 2.390 8.108 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.114 2.235 8.007 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.021 3.647 8.510 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.576 4.001 9.728 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.378 4.622 7.763 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.492 5.300 10.194 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.290 5.922 8.223 1.00 0.00 C ATOM 1578 CZ PHE A 99 -18.849 6.262 9.440 1.00 0.00 C ATOM 0 H PHE A 99 -18.226 2.307 10.312 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.223 0.302 8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.142 2.247 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.054 1.798 8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.081 3.253 10.321 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -17.941 4.362 6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -19.929 5.562 11.146 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.785 6.672 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.783 7.278 9.801 1.00 0.00 H new ATOM 1588 N GLN A 100 -16.633 1.100 6.450 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.488 1.319 5.574 1.00 0.00 C ATOM 1590 C GLN A 100 -15.906 2.058 4.307 1.00 0.00 C ATOM 1591 O GLN A 100 -16.944 1.762 3.717 1.00 0.00 O ATOM 1592 CB GLN A 100 -14.837 -0.016 5.208 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.822 -1.051 4.688 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.337 -0.722 3.301 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -15.560 -0.433 2.390 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -17.653 -0.765 3.133 1.00 0.00 N ATOM 0 H GLN A 100 -17.353 0.493 6.059 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.765 1.934 6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.072 0.158 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.331 -0.417 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.340 -2.029 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.664 -1.123 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.259 -1.009 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.058 -0.554 2.221 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.089 3.023 3.894 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.392 3.790 2.700 1.00 0.00 C ATOM 1607 C GLY A 101 -15.217 2.980 1.431 1.00 0.00 C ATOM 1608 O GLY A 101 -14.609 1.911 1.448 1.00 0.00 O ATOM 0 H GLY A 101 -14.224 3.287 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.418 4.154 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.745 4.666 2.660 1.00 0.00 H new ATOM 1612 N MET A 102 -15.753 3.490 0.327 1.00 0.00 N ATOM 1613 CA MET A 102 -15.654 2.806 -0.957 1.00 0.00 C ATOM 1614 C MET A 102 -14.255 2.233 -1.161 1.00 0.00 C ATOM 1615 O MET A 102 -13.268 2.969 -1.169 1.00 0.00 O ATOM 1616 CB MET A 102 -15.996 3.766 -2.099 1.00 0.00 C ATOM 1617 CG MET A 102 -16.667 3.088 -3.282 1.00 0.00 C ATOM 1618 SD MET A 102 -16.270 3.880 -4.853 1.00 0.00 S ATOM 1619 CE MET A 102 -14.526 3.496 -4.994 1.00 0.00 C ATOM 0 H MET A 102 -16.260 4.374 0.296 1.00 0.00 H new ATOM 0 HA MET A 102 -16.369 1.983 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 102 -16.652 4.550 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.082 4.252 -2.440 1.00 0.00 H new ATOM 0 HG2 MET A 102 -16.360 2.043 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.747 3.098 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.955 4.421 -5.076 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.202 2.947 -4.110 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.358 2.886 -5.882 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.177 0.917 -1.325 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.899 0.246 -1.529 1.00 0.00 C ATOM 1631 C ASP A 103 -12.381 0.483 -2.944 1.00 0.00 C ATOM 1632 O ASP A 103 -13.160 0.695 -3.874 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.039 -1.255 -1.268 1.00 0.00 C ATOM 1634 CG ASP A 103 -13.441 -2.023 -2.512 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.343 -1.551 -3.235 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -12.854 -3.097 -2.761 1.00 0.00 O ATOM 0 H ASP A 103 -14.984 0.294 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.181 0.664 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.093 -1.646 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.783 -1.418 -0.488 1.00 0.00 H new ATOM 1641 N SER A 104 -11.062 0.446 -3.100 1.00 0.00 N ATOM 1642 CA SER A 104 -10.439 0.661 -4.401 1.00 0.00 C ATOM 1643 C SER A 104 -10.156 -0.668 -5.095 1.00 0.00 C ATOM 1644 O SER A 104 -10.363 -1.736 -4.520 1.00 0.00 O ATOM 1645 CB SER A 104 -9.140 1.454 -4.244 1.00 0.00 C ATOM 1646 OG SER A 104 -9.391 2.746 -3.719 1.00 0.00 O ATOM 0 H SER A 104 -10.403 0.269 -2.341 1.00 0.00 H new ATOM 0 HA SER A 104 -11.133 1.232 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.459 0.916 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.644 1.541 -5.211 1.00 0.00 H new ATOM 0 HG SER A 104 -9.148 3.423 -4.385 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.683 -0.592 -6.335 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.373 -1.789 -7.108 1.00 0.00 C ATOM 1654 C GLU A 105 -8.282 -2.610 -6.425 1.00 0.00 C ATOM 1655 O GLU A 105 -7.097 -2.295 -6.529 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.931 -1.409 -8.522 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.856 -0.414 -9.203 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.375 -0.022 -10.586 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.473 0.836 -10.679 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.901 -0.573 -11.576 1.00 0.00 O ATOM 0 H GLU A 105 -9.506 0.285 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.276 -2.396 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.927 -0.987 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.872 -2.312 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.854 -0.845 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.940 0.480 -8.585 1.00 0.00 H new ATOM 1667 N SER A 106 -8.693 -3.664 -5.727 1.00 0.00 N ATOM 1668 CA SER A 106 -7.752 -4.528 -5.023 1.00 0.00 C ATOM 1669 C SER A 106 -6.555 -4.862 -5.908 1.00 0.00 C ATOM 1670 O SER A 106 -6.699 -5.082 -7.111 1.00 0.00 O ATOM 1671 CB SER A 106 -8.446 -5.816 -4.577 1.00 0.00 C ATOM 1672 OG SER A 106 -9.196 -6.385 -5.636 1.00 0.00 O ATOM 0 H SER A 106 -9.670 -3.940 -5.634 1.00 0.00 H new ATOM 0 HA SER A 106 -7.394 -3.993 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.701 -6.532 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.104 -5.605 -3.734 1.00 0.00 H new ATOM 0 HG SER A 106 -9.628 -7.208 -5.325 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.372 -4.898 -5.304 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.148 -5.206 -6.034 1.00 0.00 C ATOM 1680 C LYS A 107 -3.461 -6.436 -5.450 1.00 0.00 C ATOM 1681 O LYS A 107 -3.184 -6.496 -4.252 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.193 -4.010 -5.998 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.841 -2.702 -6.417 1.00 0.00 C ATOM 1684 CD LYS A 107 -4.057 -2.643 -7.920 1.00 0.00 C ATOM 1685 CE LYS A 107 -2.814 -2.146 -8.643 1.00 0.00 C ATOM 1686 NZ LYS A 107 -2.893 -2.387 -10.110 1.00 0.00 N ATOM 0 H LYS A 107 -5.235 -4.717 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.416 -5.418 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.797 -3.902 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.346 -4.212 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.797 -2.589 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.213 -1.867 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.323 -3.633 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.896 -1.984 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.687 -1.080 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.934 -2.647 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.028 -2.035 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.989 -3.407 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.718 -1.888 -10.500 1.00 0.00 H new ATOM 1700 N THR A 108 -3.187 -7.417 -6.305 1.00 0.00 N ATOM 1701 CA THR A 108 -2.532 -8.646 -5.874 1.00 0.00 C ATOM 1702 C THR A 108 -1.016 -8.498 -5.899 1.00 0.00 C ATOM 1703 O THR A 108 -0.435 -8.124 -6.918 1.00 0.00 O ATOM 1704 CB THR A 108 -2.936 -9.838 -6.761 1.00 0.00 C ATOM 1705 OG1 THR A 108 -3.116 -9.404 -8.114 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.219 -10.480 -6.254 1.00 0.00 C ATOM 0 H THR A 108 -3.409 -7.384 -7.300 1.00 0.00 H new ATOM 0 HA THR A 108 -2.858 -8.837 -4.852 1.00 0.00 H new ATOM 0 HB THR A 108 -2.137 -10.579 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.371 -10.168 -8.672 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.484 -11.320 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.070 -10.836 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.024 -9.745 -6.267 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.378 -8.796 -4.771 1.00 0.00 N ATOM 1715 CA VAL A 109 1.073 -8.698 -4.665 1.00 0.00 C ATOM 1716 C VAL A 109 1.710 -10.078 -4.549 1.00 0.00 C ATOM 1717 O VAL A 109 1.445 -10.818 -3.601 1.00 0.00 O ATOM 1718 CB VAL A 109 1.491 -7.848 -3.450 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.160 -8.571 -2.154 1.00 0.00 C ATOM 1720 CG2 VAL A 109 2.973 -7.513 -3.520 1.00 0.00 C ATOM 0 H VAL A 109 -0.843 -9.107 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 109 1.425 -8.214 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 109 0.929 -6.914 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.462 -7.956 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.087 -8.755 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.693 -9.521 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.252 -6.912 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.555 -8.435 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.176 -6.951 -4.432 1.00 0.00 H new ATOM 1730 N ARG A 110 2.551 -10.419 -5.520 1.00 0.00 N ATOM 1731 CA ARG A 110 3.226 -11.712 -5.527 1.00 0.00 C ATOM 1732 C ARG A 110 4.540 -11.643 -4.755 1.00 0.00 C ATOM 1733 O ARG A 110 5.550 -11.158 -5.268 1.00 0.00 O ATOM 1734 CB ARG A 110 3.488 -12.166 -6.964 1.00 0.00 C ATOM 1735 CG ARG A 110 3.548 -13.676 -7.124 1.00 0.00 C ATOM 1736 CD ARG A 110 3.811 -14.073 -8.569 1.00 0.00 C ATOM 1737 NE ARG A 110 4.447 -15.384 -8.669 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.699 -15.992 -9.823 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.369 -15.411 -10.968 1.00 0.00 N ATOM 1740 NH2 ARG A 110 5.281 -17.184 -9.832 1.00 0.00 N ATOM 0 H ARG A 110 2.781 -9.818 -6.312 1.00 0.00 H new ATOM 0 HA ARG A 110 2.575 -12.437 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.703 -11.772 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.429 -11.735 -7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.334 -14.080 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.608 -14.116 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.870 -14.084 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.448 -13.324 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 110 4.712 -15.859 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.920 -14.495 -10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.564 -15.880 -11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.535 -17.634 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.474 -17.650 -10.718 1.00 0.00 H new ATOM 1754 N THR A 111 4.522 -12.132 -3.519 1.00 0.00 N ATOM 1755 CA THR A 111 5.711 -12.125 -2.676 1.00 0.00 C ATOM 1756 C THR A 111 6.735 -13.143 -3.163 1.00 0.00 C ATOM 1757 O THR A 111 6.569 -14.349 -2.971 1.00 0.00 O ATOM 1758 CB THR A 111 5.360 -12.428 -1.208 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.387 -13.477 -1.143 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.821 -11.187 -0.512 1.00 0.00 C ATOM 0 H THR A 111 3.696 -12.538 -3.079 1.00 0.00 H new ATOM 0 HA THR A 111 6.139 -11.124 -2.740 1.00 0.00 H new ATOM 0 HB THR A 111 6.270 -12.744 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.378 -13.860 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.580 -11.426 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.574 -10.400 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.922 -10.845 -1.024 1.00 0.00 H new ATOM 1768 N THR A 112 7.798 -12.652 -3.793 1.00 0.00 N ATOM 1769 CA THR A 112 8.850 -13.520 -4.307 1.00 0.00 C ATOM 1770 C THR A 112 9.165 -14.644 -3.327 1.00 0.00 C ATOM 1771 O THR A 112 9.035 -14.476 -2.115 1.00 0.00 O ATOM 1772 CB THR A 112 10.140 -12.728 -4.594 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.231 -13.631 -4.808 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.469 -11.792 -3.441 1.00 0.00 C ATOM 0 H THR A 112 7.953 -11.658 -3.959 1.00 0.00 H new ATOM 0 HA THR A 112 8.479 -13.948 -5.238 1.00 0.00 H new ATOM 0 HB THR A 112 9.981 -12.130 -5.492 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.047 -13.120 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.384 -11.244 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.649 -11.087 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.610 -12.373 -2.530 1.00 0.00 H new ATOM 1782 N GLU A 113 9.579 -15.789 -3.859 1.00 0.00 N ATOM 1783 CA GLU A 113 9.911 -16.941 -3.029 1.00 0.00 C ATOM 1784 C GLU A 113 10.878 -16.548 -1.916 1.00 0.00 C ATOM 1785 O GLU A 113 10.659 -16.868 -0.748 1.00 0.00 O ATOM 1786 CB GLU A 113 10.524 -18.053 -3.883 1.00 0.00 C ATOM 1787 CG GLU A 113 10.306 -19.446 -3.316 1.00 0.00 C ATOM 1788 CD GLU A 113 11.221 -20.480 -3.942 1.00 0.00 C ATOM 1789 OE1 GLU A 113 12.454 -20.347 -3.796 1.00 0.00 O ATOM 1790 OE2 GLU A 113 10.704 -21.423 -4.577 1.00 0.00 O ATOM 0 H GLU A 113 9.693 -15.944 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 113 8.990 -17.307 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.098 -18.007 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.595 -17.874 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.470 -19.426 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.269 -19.741 -3.475 1.00 0.00 H new ATOM 1797 N GLU A 114 11.949 -15.853 -2.288 1.00 0.00 N ATOM 1798 CA GLU A 114 12.950 -15.418 -1.321 1.00 0.00 C ATOM 1799 C GLU A 114 13.876 -14.369 -1.931 1.00 0.00 C ATOM 1800 O GLU A 114 14.373 -14.536 -3.044 1.00 0.00 O ATOM 1801 CB GLU A 114 13.770 -16.613 -0.829 1.00 0.00 C ATOM 1802 CG GLU A 114 14.626 -16.304 0.387 1.00 0.00 C ATOM 1803 CD GLU A 114 15.364 -17.523 0.906 1.00 0.00 C ATOM 1804 OE1 GLU A 114 14.781 -18.269 1.720 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.525 -17.732 0.496 1.00 0.00 O ATOM 0 H GLU A 114 12.145 -15.580 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 114 12.429 -14.970 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.093 -17.433 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.414 -16.959 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.348 -15.529 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.994 -15.902 1.179 1.00 0.00 H new ATOM 1812 N SER A 115 14.101 -13.287 -1.193 1.00 0.00 N ATOM 1813 CA SER A 115 14.963 -12.208 -1.662 1.00 0.00 C ATOM 1814 C SER A 115 16.024 -11.868 -0.620 1.00 0.00 C ATOM 1815 O SER A 115 15.769 -11.119 0.321 1.00 0.00 O ATOM 1816 CB SER A 115 14.130 -10.965 -1.982 1.00 0.00 C ATOM 1817 OG SER A 115 14.865 -10.050 -2.777 1.00 0.00 O ATOM 0 H SER A 115 13.699 -13.134 -0.268 1.00 0.00 H new ATOM 0 HA SER A 115 15.465 -12.545 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.220 -11.258 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.822 -10.481 -1.055 1.00 0.00 H new ATOM 0 HG SER A 115 14.311 -9.265 -2.969 1.00 0.00 H new ATOM 1823 N GLY A 116 17.218 -12.427 -0.797 1.00 0.00 N ATOM 1824 CA GLY A 116 18.301 -12.173 0.135 1.00 0.00 C ATOM 1825 C GLY A 116 18.674 -10.705 0.203 1.00 0.00 C ATOM 1826 O GLY A 116 17.831 -9.838 0.432 1.00 0.00 O ATOM 0 H GLY A 116 17.454 -13.051 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.011 -12.517 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.175 -12.754 -0.161 1.00 0.00 H new ATOM 1830 N PRO A 117 19.967 -10.409 0.003 1.00 0.00 N ATOM 1831 CA PRO A 117 20.480 -9.037 0.040 1.00 0.00 C ATOM 1832 C PRO A 117 20.006 -8.209 -1.149 1.00 0.00 C ATOM 1833 O PRO A 117 20.556 -8.308 -2.246 1.00 0.00 O ATOM 1834 CB PRO A 117 21.999 -9.224 -0.011 1.00 0.00 C ATOM 1835 CG PRO A 117 22.196 -10.538 -0.684 1.00 0.00 C ATOM 1836 CD PRO A 117 21.028 -11.392 -0.275 1.00 0.00 C ATOM 0 HA PRO A 117 20.133 -8.496 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.479 -8.418 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 117 22.432 -9.223 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 117 22.233 -10.420 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 117 23.138 -10.994 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 117 20.738 -12.083 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 117 21.259 -11.994 0.604 1.00 0.00 H new ATOM 1844 N SER A 118 18.981 -7.392 -0.925 1.00 0.00 N ATOM 1845 CA SER A 118 18.431 -6.549 -1.979 1.00 0.00 C ATOM 1846 C SER A 118 19.067 -5.162 -1.954 1.00 0.00 C ATOM 1847 O SER A 118 19.819 -4.828 -1.038 1.00 0.00 O ATOM 1848 CB SER A 118 16.913 -6.428 -1.825 1.00 0.00 C ATOM 1849 OG SER A 118 16.568 -5.942 -0.540 1.00 0.00 O ATOM 0 H SER A 118 18.515 -7.297 -0.023 1.00 0.00 H new ATOM 0 HA SER A 118 18.657 -7.016 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 118 16.519 -5.757 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 118 16.449 -7.401 -1.986 1.00 0.00 H new ATOM 0 HG SER A 118 15.593 -5.872 -0.468 1.00 0.00 H new ATOM 1855 N SER A 119 18.760 -4.359 -2.968 1.00 0.00 N ATOM 1856 CA SER A 119 19.304 -3.009 -3.065 1.00 0.00 C ATOM 1857 C SER A 119 19.126 -2.255 -1.751 1.00 0.00 C ATOM 1858 O SER A 119 18.162 -2.479 -1.020 1.00 0.00 O ATOM 1859 CB SER A 119 18.625 -2.244 -4.202 1.00 0.00 C ATOM 1860 OG SER A 119 19.189 -0.953 -4.357 1.00 0.00 O ATOM 0 H SER A 119 18.138 -4.619 -3.733 1.00 0.00 H new ATOM 0 HA SER A 119 20.371 -3.088 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.727 -2.803 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 119 17.558 -2.156 -3.999 1.00 0.00 H new ATOM 0 HG SER A 119 18.739 -0.485 -5.091 1.00 0.00 H new ATOM 1866 N GLY A 120 20.063 -1.359 -1.458 1.00 0.00 N ATOM 1867 CA GLY A 120 19.992 -0.585 -0.233 1.00 0.00 C ATOM 1868 C GLY A 120 19.863 -1.459 0.999 1.00 0.00 C ATOM 1869 O GLY A 120 19.455 -0.990 2.061 1.00 0.00 O ATOM 0 H GLY A 120 20.870 -1.155 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 120 20.886 0.032 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 120 19.140 0.093 -0.284 1.00 0.00 H new TER 1873 GLY A 120