USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=34 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 52 TYR OH : rot 180:sc= -0.188 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.402 K(o=-0.59,f=0.93) USER MOD Set 2.1: A 54 GLN : amide:sc= -0.659! X(o=-0.48!,f=-0.66) USER MOD Set 2.2: A 88 TYR OH : rot 81:sc= 0.183 USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= -0.255 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.73 K(o=-1.7,f=-7.8!) USER MOD Set 4.2: A 107 LYS NZ :NH3+ 156:sc= 0.0514 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0564 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.653 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.3) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.33) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 41 GLN : amide:sc=-0.00122 K(o=-0.0012,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 46 GLN : amide:sc= -0.265 K(o=-0.27,f=-3.1!) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 MET CE :methyl 170:sc= 0 (180deg=-0.12) USER MOD Single : A 55 THR OG1 : rot 160:sc= -0.198 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -46:sc= -0.15 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 51:sc= 1.23 USER MOD Single : A 66 ASN : amide:sc= -3.45! C(o=-3.4!,f=-5.6!) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0623) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0796 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=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 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -148:sc= -0.0418 USER MOD Single : A 97 ASN : amide:sc= -4.86! C(o=-4.9!,f=-7.2!) USER MOD Single : A 100 GLN : amide:sc=-0.00583 K(o=-0.0058,f=-3.1!) USER MOD Single : A 102 MET CE :methyl -115:sc= -0.559 (180deg=-1.28) USER MOD Single : A 104 SER OG : rot -80:sc= 0.00558 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00892 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 111 THR OG1 : rot -68:sc= 1.13 USER MOD Single : A 112 THR OG1 : rot 90:sc= -0.694 USER MOD Single : A 115 SER OG : rot 180:sc= 0.00318 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 -23.866 32.420 18.835 1.00 0.00 N ATOM 2 CA GLY A 1 -22.824 31.409 18.831 1.00 0.00 C ATOM 3 C GLY A 1 -22.893 30.511 17.613 1.00 0.00 C ATOM 4 O GLY A 1 -23.487 30.874 16.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.439 33.358 18.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.369 32.404 17.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.537 32.224 19.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.849 31.896 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.908 30.801 19.732 1.00 0.00 H new ATOM 8 N SER A 2 -22.282 29.334 17.712 1.00 0.00 N ATOM 9 CA SER A 2 -22.272 28.383 16.606 1.00 0.00 C ATOM 10 C SER A 2 -23.160 27.182 16.915 1.00 0.00 C ATOM 11 O SER A 2 -23.269 26.755 18.065 1.00 0.00 O ATOM 12 CB SER A 2 -20.843 27.915 16.321 1.00 0.00 C ATOM 13 OG SER A 2 -20.437 26.923 17.248 1.00 0.00 O ATOM 0 H SER A 2 -21.788 29.017 18.546 1.00 0.00 H new ATOM 0 HA SER A 2 -22.665 28.886 15.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.782 27.517 15.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.162 28.765 16.371 1.00 0.00 H new ATOM 0 HG SER A 2 -19.522 26.639 17.044 1.00 0.00 H new ATOM 19 N SER A 3 -23.793 26.640 15.879 1.00 0.00 N ATOM 20 CA SER A 3 -24.675 25.490 16.039 1.00 0.00 C ATOM 21 C SER A 3 -24.815 24.726 14.726 1.00 0.00 C ATOM 22 O SER A 3 -24.523 25.254 13.654 1.00 0.00 O ATOM 23 CB SER A 3 -26.053 25.941 16.529 1.00 0.00 C ATOM 24 OG SER A 3 -26.000 26.363 17.881 1.00 0.00 O ATOM 0 H SER A 3 -23.711 26.979 14.920 1.00 0.00 H new ATOM 0 HA SER A 3 -24.233 24.825 16.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.416 26.757 15.904 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.765 25.122 16.428 1.00 0.00 H new ATOM 0 HG SER A 3 -25.065 26.475 18.152 1.00 0.00 H new ATOM 30 N GLY A 4 -25.265 23.478 14.819 1.00 0.00 N ATOM 31 CA GLY A 4 -25.436 22.661 13.632 1.00 0.00 C ATOM 32 C GLY A 4 -25.315 21.179 13.927 1.00 0.00 C ATOM 33 O GLY A 4 -26.047 20.642 14.757 1.00 0.00 O ATOM 0 H GLY A 4 -25.514 23.019 15.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.413 22.863 13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.689 22.943 12.890 1.00 0.00 H new ATOM 37 N SER A 5 -24.387 20.515 13.243 1.00 0.00 N ATOM 38 CA SER A 5 -24.176 19.085 13.432 1.00 0.00 C ATOM 39 C SER A 5 -22.978 18.601 12.621 1.00 0.00 C ATOM 40 O SER A 5 -22.974 18.678 11.392 1.00 0.00 O ATOM 41 CB SER A 5 -25.428 18.305 13.027 1.00 0.00 C ATOM 42 OG SER A 5 -25.455 17.028 13.640 1.00 0.00 O ATOM 0 H SER A 5 -23.770 20.945 12.554 1.00 0.00 H new ATOM 0 HA SER A 5 -23.973 18.910 14.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.318 18.867 13.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.455 18.192 11.943 1.00 0.00 H new ATOM 0 HG SER A 5 -26.266 16.551 13.366 1.00 0.00 H new ATOM 48 N SER A 6 -21.962 18.103 13.318 1.00 0.00 N ATOM 49 CA SER A 6 -20.755 17.610 12.664 1.00 0.00 C ATOM 50 C SER A 6 -20.914 16.147 12.263 1.00 0.00 C ATOM 51 O SER A 6 -21.732 15.422 12.827 1.00 0.00 O ATOM 52 CB SER A 6 -19.547 17.768 13.590 1.00 0.00 C ATOM 53 OG SER A 6 -19.046 19.093 13.553 1.00 0.00 O ATOM 0 H SER A 6 -21.950 18.030 14.335 1.00 0.00 H new ATOM 0 HA SER A 6 -20.593 18.201 11.762 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.831 17.512 14.611 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.763 17.071 13.293 1.00 0.00 H new ATOM 0 HG SER A 6 -18.276 19.168 14.154 1.00 0.00 H new ATOM 59 N GLY A 7 -20.125 15.720 11.281 1.00 0.00 N ATOM 60 CA GLY A 7 -20.193 14.346 10.820 1.00 0.00 C ATOM 61 C GLY A 7 -21.459 14.059 10.037 1.00 0.00 C ATOM 62 O GLY A 7 -22.029 12.973 10.142 1.00 0.00 O ATOM 0 H GLY A 7 -19.441 16.301 10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.326 14.133 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.140 13.675 11.678 1.00 0.00 H new ATOM 66 N ARG A 8 -21.901 15.036 9.252 1.00 0.00 N ATOM 67 CA ARG A 8 -23.110 14.884 8.451 1.00 0.00 C ATOM 68 C ARG A 8 -22.772 14.398 7.044 1.00 0.00 C ATOM 69 O ARG A 8 -23.412 13.485 6.523 1.00 0.00 O ATOM 70 CB ARG A 8 -23.867 16.211 8.376 1.00 0.00 C ATOM 71 CG ARG A 8 -24.698 16.367 7.112 1.00 0.00 C ATOM 72 CD ARG A 8 -25.925 17.232 7.356 1.00 0.00 C ATOM 73 NE ARG A 8 -26.875 17.157 6.249 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.973 17.902 6.172 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.256 18.772 7.131 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.789 17.776 5.133 1.00 0.00 N ATOM 0 H ARG A 8 -21.440 15.941 9.154 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.744 14.139 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.521 16.296 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.152 17.032 8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.088 16.813 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.009 15.385 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.415 16.915 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.616 18.267 7.499 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.686 16.497 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.630 18.871 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.099 19.343 7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.574 17.107 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.632 18.348 5.074 1.00 0.00 H new ATOM 90 N GLN A 9 -21.764 15.016 6.436 1.00 0.00 N ATOM 91 CA GLN A 9 -21.343 14.647 5.090 1.00 0.00 C ATOM 92 C GLN A 9 -20.397 13.451 5.124 1.00 0.00 C ATOM 93 O GLN A 9 -19.663 13.200 4.168 1.00 0.00 O ATOM 94 CB GLN A 9 -20.663 15.832 4.403 1.00 0.00 C ATOM 95 CG GLN A 9 -20.546 15.677 2.895 1.00 0.00 C ATOM 96 CD GLN A 9 -19.858 16.857 2.238 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.085 18.008 2.609 1.00 0.00 O ATOM 98 NE2 GLN A 9 -19.010 16.576 1.256 1.00 0.00 N ATOM 0 H GLN A 9 -21.224 15.774 6.854 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.231 14.368 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.224 16.740 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.666 15.963 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.991 14.766 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.542 15.558 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.852 15.607 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.517 17.329 0.777 1.00 0.00 H new ATOM 107 N VAL A 10 -20.419 12.717 6.231 1.00 0.00 N ATOM 108 CA VAL A 10 -19.564 11.547 6.389 1.00 0.00 C ATOM 109 C VAL A 10 -19.984 10.426 5.445 1.00 0.00 C ATOM 110 O VAL A 10 -19.145 9.799 4.799 1.00 0.00 O ATOM 111 CB VAL A 10 -19.594 11.021 7.837 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.009 10.626 8.232 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.640 9.847 7.997 1.00 0.00 C ATOM 0 H VAL A 10 -21.020 12.912 7.032 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.550 11.862 6.145 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.266 11.820 8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.011 10.257 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.663 11.495 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.368 9.843 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.674 9.488 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.936 9.043 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.626 10.167 7.758 1.00 0.00 H new ATOM 123 N GLN A 11 -21.288 10.182 5.369 1.00 0.00 N ATOM 124 CA GLN A 11 -21.820 9.136 4.503 1.00 0.00 C ATOM 125 C GLN A 11 -21.871 9.605 3.052 1.00 0.00 C ATOM 126 O GLN A 11 -22.298 8.867 2.164 1.00 0.00 O ATOM 127 CB GLN A 11 -23.217 8.721 4.967 1.00 0.00 C ATOM 128 CG GLN A 11 -23.208 7.796 6.173 1.00 0.00 C ATOM 129 CD GLN A 11 -24.479 6.979 6.291 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.466 7.427 6.875 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.462 5.773 5.736 1.00 0.00 N ATOM 0 H GLN A 11 -21.995 10.694 5.896 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.155 8.275 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -23.791 9.615 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -23.732 8.226 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.353 7.123 6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.075 8.388 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.622 5.442 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.289 5.178 5.784 1.00 0.00 H new ATOM 140 N LYS A 12 -21.434 10.838 2.819 1.00 0.00 N ATOM 141 CA LYS A 12 -21.429 11.407 1.476 1.00 0.00 C ATOM 142 C LYS A 12 -20.005 11.530 0.943 1.00 0.00 C ATOM 143 O LYS A 12 -19.643 10.881 -0.038 1.00 0.00 O ATOM 144 CB LYS A 12 -22.104 12.780 1.479 1.00 0.00 C ATOM 145 CG LYS A 12 -22.761 13.138 0.157 1.00 0.00 C ATOM 146 CD LYS A 12 -23.521 14.451 0.249 1.00 0.00 C ATOM 147 CE LYS A 12 -24.388 14.680 -0.979 1.00 0.00 C ATOM 148 NZ LYS A 12 -23.570 14.982 -2.187 1.00 0.00 N ATOM 0 H LYS A 12 -21.079 11.463 3.543 1.00 0.00 H new ATOM 0 HA LYS A 12 -21.987 10.736 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.856 12.804 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.362 13.540 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.000 13.211 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.444 12.341 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.146 14.449 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -22.815 15.275 0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.996 13.795 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.075 15.505 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.198 15.132 -3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.008 15.841 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.932 14.184 -2.383 1.00 0.00 H new ATOM 162 N GLU A 13 -19.203 12.365 1.596 1.00 0.00 N ATOM 163 CA GLU A 13 -17.819 12.571 1.186 1.00 0.00 C ATOM 164 C GLU A 13 -17.023 11.272 1.286 1.00 0.00 C ATOM 165 O GLU A 13 -16.044 11.074 0.566 1.00 0.00 O ATOM 166 CB GLU A 13 -17.164 13.651 2.050 1.00 0.00 C ATOM 167 CG GLU A 13 -15.650 13.535 2.125 1.00 0.00 C ATOM 168 CD GLU A 13 -15.009 14.714 2.830 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.516 15.112 3.900 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.002 15.240 2.312 1.00 0.00 O ATOM 0 H GLU A 13 -19.488 12.909 2.410 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.819 12.898 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.426 14.631 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.575 13.597 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.385 12.616 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.245 13.456 1.116 1.00 0.00 H new ATOM 177 N LEU A 14 -17.450 10.391 2.184 1.00 0.00 N ATOM 178 CA LEU A 14 -16.778 9.111 2.380 1.00 0.00 C ATOM 179 C LEU A 14 -16.689 8.337 1.069 1.00 0.00 C ATOM 180 O LEU A 14 -15.599 8.038 0.585 1.00 0.00 O ATOM 181 CB LEU A 14 -17.518 8.279 3.428 1.00 0.00 C ATOM 182 CG LEU A 14 -17.177 6.789 3.465 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.006 6.533 4.401 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.390 5.975 3.891 1.00 0.00 C ATOM 0 H LEU A 14 -18.258 10.539 2.788 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.766 9.310 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.312 8.703 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.589 8.382 3.254 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.889 6.477 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.777 5.467 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.134 7.087 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.266 6.861 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.129 4.917 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.709 6.290 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.202 6.134 3.182 1.00 0.00 H new ATOM 196 N GLY A 15 -17.847 8.016 0.497 1.00 0.00 N ATOM 197 CA GLY A 15 -17.878 7.281 -0.754 1.00 0.00 C ATOM 198 C GLY A 15 -17.593 8.165 -1.953 1.00 0.00 C ATOM 199 O GLY A 15 -16.801 7.804 -2.823 1.00 0.00 O ATOM 0 H GLY A 15 -18.763 8.252 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.144 6.476 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.856 6.815 -0.874 1.00 0.00 H new ATOM 203 N ASP A 16 -18.241 9.323 -1.999 1.00 0.00 N ATOM 204 CA ASP A 16 -18.054 10.261 -3.100 1.00 0.00 C ATOM 205 C ASP A 16 -16.614 10.227 -3.604 1.00 0.00 C ATOM 206 O ASP A 16 -16.362 9.949 -4.777 1.00 0.00 O ATOM 207 CB ASP A 16 -18.419 11.679 -2.659 1.00 0.00 C ATOM 208 CG ASP A 16 -17.788 12.740 -3.539 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.601 13.062 -3.320 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.480 13.248 -4.446 1.00 0.00 O ATOM 0 H ASP A 16 -18.901 9.635 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.713 9.962 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.503 11.794 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.099 11.829 -1.628 1.00 0.00 H new ATOM 215 N VAL A 17 -15.673 10.512 -2.710 1.00 0.00 N ATOM 216 CA VAL A 17 -14.258 10.514 -3.063 1.00 0.00 C ATOM 217 C VAL A 17 -13.822 9.152 -3.592 1.00 0.00 C ATOM 218 O VAL A 17 -14.385 8.121 -3.223 1.00 0.00 O ATOM 219 CB VAL A 17 -13.378 10.889 -1.856 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.449 9.809 -0.787 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.941 11.122 -2.296 1.00 0.00 C ATOM 0 H VAL A 17 -15.865 10.745 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.128 11.263 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.757 11.817 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.821 10.091 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.480 9.697 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.097 8.864 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.334 11.386 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.548 10.213 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.910 11.934 -3.022 1.00 0.00 H new ATOM 231 N LEU A 18 -12.815 9.155 -4.458 1.00 0.00 N ATOM 232 CA LEU A 18 -12.301 7.919 -5.039 1.00 0.00 C ATOM 233 C LEU A 18 -10.868 7.660 -4.586 1.00 0.00 C ATOM 234 O LEU A 18 -10.000 8.524 -4.710 1.00 0.00 O ATOM 235 CB LEU A 18 -12.361 7.986 -6.566 1.00 0.00 C ATOM 236 CG LEU A 18 -12.436 6.644 -7.294 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.161 6.797 -8.622 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.041 6.075 -7.508 1.00 0.00 C ATOM 0 H LEU A 18 -12.338 9.999 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.927 7.096 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.230 8.580 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.480 8.521 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.000 5.947 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.205 5.832 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.173 7.160 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.625 7.510 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.114 5.120 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.453 6.770 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.556 5.927 -6.543 1.00 0.00 H new ATOM 250 N VAL A 19 -10.625 6.462 -4.063 1.00 0.00 N ATOM 251 CA VAL A 19 -9.296 6.087 -3.595 1.00 0.00 C ATOM 252 C VAL A 19 -8.611 5.148 -4.582 1.00 0.00 C ATOM 253 O VAL A 19 -9.161 4.112 -4.953 1.00 0.00 O ATOM 254 CB VAL A 19 -9.359 5.406 -2.215 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.994 4.857 -1.828 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.869 6.380 -1.163 1.00 0.00 C ATOM 0 H VAL A 19 -11.332 5.735 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.718 7.007 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.057 4.571 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.058 4.379 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.673 4.125 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.272 5.673 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.907 5.882 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.198 7.237 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.868 6.720 -1.436 1.00 0.00 H new ATOM 266 N ARG A 20 -7.406 5.519 -5.003 1.00 0.00 N ATOM 267 CA ARG A 20 -6.645 4.711 -5.948 1.00 0.00 C ATOM 268 C ARG A 20 -5.400 4.128 -5.285 1.00 0.00 C ATOM 269 O ARG A 20 -4.429 4.841 -5.028 1.00 0.00 O ATOM 270 CB ARG A 20 -6.244 5.550 -7.163 1.00 0.00 C ATOM 271 CG ARG A 20 -7.310 5.602 -8.245 1.00 0.00 C ATOM 272 CD ARG A 20 -7.245 4.382 -9.150 1.00 0.00 C ATOM 273 NE ARG A 20 -7.930 4.606 -10.420 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.790 3.816 -11.480 1.00 0.00 C ATOM 275 NH1 ARG A 20 -6.996 2.757 -11.420 1.00 0.00 N ATOM 276 NH2 ARG A 20 -8.447 4.086 -12.601 1.00 0.00 N ATOM 0 H ARG A 20 -6.936 6.374 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.280 3.888 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.021 6.565 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.326 5.143 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.296 5.662 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.181 6.506 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.203 4.127 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.694 3.529 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.550 5.412 -10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.491 2.547 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.890 2.152 -12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.060 4.900 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.339 3.480 -13.414 1.00 0.00 H new ATOM 290 N LEU A 21 -5.435 2.829 -5.012 1.00 0.00 N ATOM 291 CA LEU A 21 -4.310 2.150 -4.378 1.00 0.00 C ATOM 292 C LEU A 21 -3.259 1.757 -5.412 1.00 0.00 C ATOM 293 O LEU A 21 -3.530 0.971 -6.321 1.00 0.00 O ATOM 294 CB LEU A 21 -4.794 0.907 -3.630 1.00 0.00 C ATOM 295 CG LEU A 21 -3.750 -0.186 -3.396 1.00 0.00 C ATOM 296 CD1 LEU A 21 -2.652 0.315 -2.471 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.404 -1.435 -2.824 1.00 0.00 C ATOM 0 H LEU A 21 -6.230 2.224 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.855 2.840 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.186 1.220 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.626 0.474 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.300 -0.443 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.918 -0.476 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.164 1.180 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.086 0.601 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.646 -2.202 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.882 -1.193 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.154 -1.806 -3.523 1.00 0.00 H new ATOM 309 N HIS A 22 -2.058 2.308 -5.266 1.00 0.00 N ATOM 310 CA HIS A 22 -0.965 2.014 -6.186 1.00 0.00 C ATOM 311 C HIS A 22 -0.451 0.592 -5.981 1.00 0.00 C ATOM 312 O HIS A 22 -0.386 0.101 -4.855 1.00 0.00 O ATOM 313 CB HIS A 22 0.176 3.013 -5.992 1.00 0.00 C ATOM 314 CG HIS A 22 -0.240 4.440 -6.180 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.561 5.384 -6.787 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.381 5.082 -5.837 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.068 6.545 -6.808 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.250 6.389 -6.239 1.00 0.00 N ATOM 0 H HIS A 22 -1.817 2.960 -4.520 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.346 2.102 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.588 2.892 -4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.975 2.780 -6.695 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.236 4.648 -5.340 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.318 7.465 -7.220 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.951 7.120 -6.118 1.00 0.00 H new ATOM 327 N ASN A 23 -0.088 -0.065 -7.078 1.00 0.00 N ATOM 328 CA ASN A 23 0.419 -1.431 -7.019 1.00 0.00 C ATOM 329 C ASN A 23 1.305 -1.630 -5.793 1.00 0.00 C ATOM 330 O ASN A 23 2.179 -0.817 -5.489 1.00 0.00 O ATOM 331 CB ASN A 23 1.205 -1.761 -8.289 1.00 0.00 C ATOM 332 CG ASN A 23 0.383 -1.557 -9.547 1.00 0.00 C ATOM 333 OD1 ASN A 23 -0.827 -1.339 -9.483 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.039 -1.626 -10.700 1.00 0.00 N ATOM 0 H ASN A 23 -0.136 0.327 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.434 -2.105 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.096 -1.135 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.545 -2.796 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.539 -1.496 -11.580 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.042 -1.809 -10.706 1.00 0.00 H new ATOM 341 N PRO A 24 1.076 -2.737 -5.071 1.00 0.00 N ATOM 342 CA PRO A 24 1.844 -3.069 -3.867 1.00 0.00 C ATOM 343 C PRO A 24 3.283 -3.457 -4.187 1.00 0.00 C ATOM 344 O PRO A 24 3.578 -4.621 -4.456 1.00 0.00 O ATOM 345 CB PRO A 24 1.086 -4.263 -3.282 1.00 0.00 C ATOM 346 CG PRO A 24 0.395 -4.882 -4.448 1.00 0.00 C ATOM 347 CD PRO A 24 0.051 -3.749 -5.374 1.00 0.00 C ATOM 0 HA PRO A 24 1.923 -2.221 -3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.766 -4.968 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.372 -3.945 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.039 -5.609 -4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.502 -5.414 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.088 -4.058 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.954 -3.370 -5.189 1.00 0.00 H new ATOM 355 N VAL A 25 4.177 -2.474 -4.154 1.00 0.00 N ATOM 356 CA VAL A 25 5.587 -2.712 -4.439 1.00 0.00 C ATOM 357 C VAL A 25 6.180 -3.725 -3.466 1.00 0.00 C ATOM 358 O VAL A 25 6.427 -3.413 -2.301 1.00 0.00 O ATOM 359 CB VAL A 25 6.403 -1.408 -4.365 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.878 -1.686 -4.614 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.869 -0.389 -5.361 1.00 0.00 C ATOM 0 H VAL A 25 3.950 -1.505 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 25 5.642 -3.109 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 25 6.300 -0.992 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.439 -0.753 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.250 -2.379 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.003 -2.126 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.457 0.526 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.940 -0.795 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.827 -0.168 -5.132 1.00 0.00 H new ATOM 371 N VAL A 26 6.407 -4.942 -3.952 1.00 0.00 N ATOM 372 CA VAL A 26 6.973 -6.001 -3.126 1.00 0.00 C ATOM 373 C VAL A 26 8.434 -5.718 -2.793 1.00 0.00 C ATOM 374 O VAL A 26 9.339 -6.136 -3.517 1.00 0.00 O ATOM 375 CB VAL A 26 6.874 -7.371 -3.824 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.698 -7.380 -5.103 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.320 -8.481 -2.885 1.00 0.00 C ATOM 0 H VAL A 26 6.207 -5.218 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 26 6.392 -6.027 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 26 5.832 -7.549 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.616 -8.356 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.327 -6.611 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.743 -7.180 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.243 -9.441 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.354 -8.311 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.683 -8.488 -2.001 1.00 0.00 H new ATOM 387 N LEU A 27 8.657 -5.007 -1.694 1.00 0.00 N ATOM 388 CA LEU A 27 10.009 -4.667 -1.263 1.00 0.00 C ATOM 389 C LEU A 27 10.774 -5.916 -0.836 1.00 0.00 C ATOM 390 O LEU A 27 11.921 -6.121 -1.233 1.00 0.00 O ATOM 391 CB LEU A 27 9.961 -3.664 -0.110 1.00 0.00 C ATOM 392 CG LEU A 27 9.301 -2.320 -0.416 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.122 -1.510 0.859 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.122 -1.542 -1.434 1.00 0.00 C ATOM 0 H LEU A 27 7.919 -4.654 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 27 10.530 -4.215 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.431 -4.125 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.981 -3.477 0.225 1.00 0.00 H new ATOM 0 HG LEU A 27 8.316 -2.510 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.651 -0.556 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.492 -2.063 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.095 -1.330 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.637 -0.588 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.121 -1.363 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.197 -2.117 -2.357 1.00 0.00 H new ATOM 406 N THR A 28 10.130 -6.749 -0.024 1.00 0.00 N ATOM 407 CA THR A 28 10.748 -7.978 0.456 1.00 0.00 C ATOM 408 C THR A 28 9.740 -9.121 0.500 1.00 0.00 C ATOM 409 O THR A 28 8.527 -8.910 0.506 1.00 0.00 O ATOM 410 CB THR A 28 11.355 -7.790 1.860 1.00 0.00 C ATOM 411 OG1 THR A 28 10.615 -6.801 2.584 1.00 0.00 O ATOM 412 CG2 THR A 28 12.815 -7.372 1.767 1.00 0.00 C ATOM 0 H THR A 28 9.180 -6.594 0.315 1.00 0.00 H new ATOM 0 HA THR A 28 11.544 -8.226 -0.246 1.00 0.00 H new ATOM 0 HB THR A 28 11.300 -8.743 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.005 -6.688 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.222 -7.245 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.381 -8.141 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.890 -6.430 1.224 1.00 0.00 H new ATOM 420 N PRO A 29 10.251 -10.361 0.531 1.00 0.00 N ATOM 421 CA PRO A 29 9.411 -11.562 0.575 1.00 0.00 C ATOM 422 C PRO A 29 8.694 -11.718 1.912 1.00 0.00 C ATOM 423 O PRO A 29 7.848 -12.598 2.075 1.00 0.00 O ATOM 424 CB PRO A 29 10.412 -12.701 0.368 1.00 0.00 C ATOM 425 CG PRO A 29 11.713 -12.155 0.845 1.00 0.00 C ATOM 426 CD PRO A 29 11.687 -10.686 0.525 1.00 0.00 C ATOM 0 HA PRO A 29 8.617 -11.533 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.124 -13.588 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.466 -12.994 -0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.836 -12.319 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.549 -12.648 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.234 -10.104 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.142 -10.478 -0.443 1.00 0.00 H new ATOM 434 N THR A 30 9.037 -10.859 2.866 1.00 0.00 N ATOM 435 CA THR A 30 8.426 -10.902 4.189 1.00 0.00 C ATOM 436 C THR A 30 7.703 -9.598 4.504 1.00 0.00 C ATOM 437 O THR A 30 7.071 -9.463 5.552 1.00 0.00 O ATOM 438 CB THR A 30 9.476 -11.171 5.284 1.00 0.00 C ATOM 439 OG1 THR A 30 10.559 -10.242 5.163 1.00 0.00 O ATOM 440 CG2 THR A 30 10.007 -12.593 5.186 1.00 0.00 C ATOM 0 H THR A 30 9.735 -10.125 2.747 1.00 0.00 H new ATOM 0 HA THR A 30 7.705 -11.720 4.178 1.00 0.00 H new ATOM 0 HB THR A 30 8.997 -11.045 6.255 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.221 -10.418 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.747 -12.760 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.184 -13.298 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.471 -12.742 4.211 1.00 0.00 H new ATOM 448 N THR A 31 7.798 -8.638 3.589 1.00 0.00 N ATOM 449 CA THR A 31 7.154 -7.343 3.769 1.00 0.00 C ATOM 450 C THR A 31 6.851 -6.688 2.427 1.00 0.00 C ATOM 451 O THR A 31 7.591 -6.863 1.458 1.00 0.00 O ATOM 452 CB THR A 31 8.029 -6.392 4.607 1.00 0.00 C ATOM 453 OG1 THR A 31 8.548 -7.081 5.749 1.00 0.00 O ATOM 454 CG2 THR A 31 7.229 -5.179 5.060 1.00 0.00 C ATOM 0 H THR A 31 8.315 -8.733 2.715 1.00 0.00 H new ATOM 0 HA THR A 31 6.219 -7.526 4.299 1.00 0.00 H new ATOM 0 HB THR A 31 8.855 -6.051 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.104 -6.469 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.868 -4.522 5.650 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.861 -4.640 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.385 -5.506 5.667 1.00 0.00 H new ATOM 462 N VAL A 32 5.760 -5.931 2.375 1.00 0.00 N ATOM 463 CA VAL A 32 5.361 -5.247 1.151 1.00 0.00 C ATOM 464 C VAL A 32 4.828 -3.851 1.450 1.00 0.00 C ATOM 465 O VAL A 32 4.079 -3.654 2.407 1.00 0.00 O ATOM 466 CB VAL A 32 4.284 -6.043 0.389 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.839 -5.286 -0.853 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.804 -7.425 0.023 1.00 0.00 C ATOM 0 H VAL A 32 5.136 -5.776 3.167 1.00 0.00 H new ATOM 0 HA VAL A 32 6.252 -5.167 0.529 1.00 0.00 H new ATOM 0 HB VAL A 32 3.418 -6.165 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.078 -5.864 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.425 -4.321 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.694 -5.130 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.031 -7.974 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.686 -7.326 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.068 -7.967 0.931 1.00 0.00 H new ATOM 478 N GLN A 33 5.219 -2.885 0.625 1.00 0.00 N ATOM 479 CA GLN A 33 4.780 -1.505 0.802 1.00 0.00 C ATOM 480 C GLN A 33 3.395 -1.293 0.199 1.00 0.00 C ATOM 481 O GLN A 33 2.996 -1.997 -0.729 1.00 0.00 O ATOM 482 CB GLN A 33 5.782 -0.543 0.162 1.00 0.00 C ATOM 483 CG GLN A 33 5.788 0.839 0.796 1.00 0.00 C ATOM 484 CD GLN A 33 6.186 1.927 -0.182 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.082 1.741 -1.006 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.520 3.073 -0.095 1.00 0.00 N ATOM 0 H GLN A 33 5.838 -3.032 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 33 4.725 -1.302 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.782 -0.971 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.553 -0.446 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.796 1.057 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.477 0.844 1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.785 3.184 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.744 3.842 -0.726 1.00 0.00 H new ATOM 495 N VAL A 34 2.666 -0.317 0.732 1.00 0.00 N ATOM 496 CA VAL A 34 1.326 -0.011 0.245 1.00 0.00 C ATOM 497 C VAL A 34 1.093 1.494 0.187 1.00 0.00 C ATOM 498 O VAL A 34 1.341 2.210 1.158 1.00 0.00 O ATOM 499 CB VAL A 34 0.246 -0.653 1.136 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.143 -0.338 0.602 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.460 -2.156 1.233 1.00 0.00 C ATOM 0 H VAL A 34 2.981 0.275 1.501 1.00 0.00 H new ATOM 0 HA VAL A 34 1.251 -0.426 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 34 0.329 -0.232 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.893 -0.800 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.292 0.742 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.241 -0.730 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.312 -2.593 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.405 -2.596 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.440 -2.357 1.665 1.00 0.00 H new ATOM 511 N THR A 35 0.614 1.970 -0.958 1.00 0.00 N ATOM 512 CA THR A 35 0.348 3.390 -1.144 1.00 0.00 C ATOM 513 C THR A 35 -0.950 3.610 -1.913 1.00 0.00 C ATOM 514 O THR A 35 -1.309 2.817 -2.783 1.00 0.00 O ATOM 515 CB THR A 35 1.500 4.085 -1.895 1.00 0.00 C ATOM 516 OG1 THR A 35 2.757 3.558 -1.457 1.00 0.00 O ATOM 517 CG2 THR A 35 1.466 5.588 -1.666 1.00 0.00 C ATOM 0 H THR A 35 0.402 1.392 -1.771 1.00 0.00 H new ATOM 0 HA THR A 35 0.257 3.827 -0.149 1.00 0.00 H new ATOM 0 HB THR A 35 1.378 3.894 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.484 4.003 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.289 6.057 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.519 5.990 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.566 5.796 -0.601 1.00 0.00 H new ATOM 525 N TRP A 36 -1.649 4.691 -1.586 1.00 0.00 N ATOM 526 CA TRP A 36 -2.908 5.016 -2.248 1.00 0.00 C ATOM 527 C TRP A 36 -3.127 6.524 -2.291 1.00 0.00 C ATOM 528 O TRP A 36 -2.569 7.267 -1.483 1.00 0.00 O ATOM 529 CB TRP A 36 -4.075 4.339 -1.527 1.00 0.00 C ATOM 530 CG TRP A 36 -4.241 4.793 -0.109 1.00 0.00 C ATOM 531 CD1 TRP A 36 -5.079 5.772 0.346 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.551 4.288 1.040 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.950 5.905 1.708 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.020 5.005 2.157 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.584 3.298 1.233 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.554 4.763 3.446 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.122 3.059 2.513 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.607 3.788 3.606 1.00 0.00 C ATOM 0 H TRP A 36 -1.366 5.357 -0.867 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.858 4.646 -3.272 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.996 4.538 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.924 3.260 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.744 6.355 -0.273 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.464 6.567 2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.205 2.730 0.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.926 5.325 4.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.374 2.297 2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.226 3.577 4.594 1.00 0.00 H new ATOM 549 N THR A 37 -3.944 6.972 -3.240 1.00 0.00 N ATOM 550 CA THR A 37 -4.236 8.392 -3.390 1.00 0.00 C ATOM 551 C THR A 37 -5.737 8.653 -3.339 1.00 0.00 C ATOM 552 O THR A 37 -6.542 7.735 -3.496 1.00 0.00 O ATOM 553 CB THR A 37 -3.674 8.945 -4.713 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.817 10.369 -4.749 1.00 0.00 O ATOM 555 CG2 THR A 37 -4.391 8.328 -5.905 1.00 0.00 C ATOM 0 H THR A 37 -4.415 6.371 -3.916 1.00 0.00 H new ATOM 0 HA THR A 37 -3.753 8.904 -2.558 1.00 0.00 H new ATOM 0 HB THR A 37 -2.617 8.685 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.456 10.713 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.977 8.734 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.256 7.247 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.454 8.561 -5.851 1.00 0.00 H new ATOM 563 N VAL A 38 -6.107 9.911 -3.121 1.00 0.00 N ATOM 564 CA VAL A 38 -7.512 10.293 -3.052 1.00 0.00 C ATOM 565 C VAL A 38 -7.738 11.670 -3.665 1.00 0.00 C ATOM 566 O VAL A 38 -7.038 12.629 -3.338 1.00 0.00 O ATOM 567 CB VAL A 38 -8.021 10.301 -1.598 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.875 8.921 -0.974 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.279 11.347 -0.780 1.00 0.00 C ATOM 0 H VAL A 38 -5.453 10.683 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.070 9.549 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.080 10.561 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.239 8.946 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.456 8.199 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.825 8.628 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.651 11.339 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.213 11.120 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.441 12.332 -1.217 1.00 0.00 H new ATOM 579 N ASP A 39 -8.719 11.762 -4.555 1.00 0.00 N ATOM 580 CA ASP A 39 -9.039 13.023 -5.214 1.00 0.00 C ATOM 581 C ASP A 39 -9.444 14.082 -4.193 1.00 0.00 C ATOM 582 O ASP A 39 -8.966 15.216 -4.238 1.00 0.00 O ATOM 583 CB ASP A 39 -10.164 12.821 -6.231 1.00 0.00 C ATOM 584 CG ASP A 39 -10.080 13.797 -7.388 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.268 13.560 -8.306 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.826 14.799 -7.374 1.00 0.00 O ATOM 0 H ASP A 39 -9.307 10.978 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.146 13.369 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.124 11.802 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.126 12.936 -5.732 1.00 0.00 H new ATOM 591 N ARG A 40 -10.327 13.704 -3.275 1.00 0.00 N ATOM 592 CA ARG A 40 -10.798 14.622 -2.245 1.00 0.00 C ATOM 593 C ARG A 40 -10.657 14.001 -0.858 1.00 0.00 C ATOM 594 O ARG A 40 -11.641 13.574 -0.256 1.00 0.00 O ATOM 595 CB ARG A 40 -12.258 15.002 -2.499 1.00 0.00 C ATOM 596 CG ARG A 40 -12.465 15.813 -3.767 1.00 0.00 C ATOM 597 CD ARG A 40 -13.920 16.221 -3.937 1.00 0.00 C ATOM 598 NE ARG A 40 -14.225 16.597 -5.315 1.00 0.00 N ATOM 599 CZ ARG A 40 -15.408 17.059 -5.706 1.00 0.00 C ATOM 600 NH1 ARG A 40 -16.391 17.201 -4.827 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.609 17.380 -6.977 1.00 0.00 N ATOM 0 H ARG A 40 -10.731 12.769 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.183 15.521 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.856 14.093 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.629 15.573 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.838 16.704 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.147 15.228 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.566 15.396 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.142 17.058 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.490 16.500 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.240 16.955 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.298 17.556 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.855 17.272 -7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.517 17.735 -7.276 1.00 0.00 H new ATOM 615 N GLN A 41 -9.426 13.955 -0.359 1.00 0.00 N ATOM 616 CA GLN A 41 -9.156 13.386 0.956 1.00 0.00 C ATOM 617 C GLN A 41 -10.171 13.880 1.982 1.00 0.00 C ATOM 618 O GLN A 41 -10.390 15.080 2.147 1.00 0.00 O ATOM 619 CB GLN A 41 -7.740 13.744 1.410 1.00 0.00 C ATOM 620 CG GLN A 41 -7.253 12.921 2.592 1.00 0.00 C ATOM 621 CD GLN A 41 -5.932 13.418 3.145 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.491 14.524 2.830 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.292 12.602 3.974 1.00 0.00 N ATOM 0 H GLN A 41 -8.600 14.305 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.242 12.302 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.054 13.606 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.709 14.801 1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.005 12.945 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.146 11.880 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.694 11.694 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.398 12.883 4.377 1.00 0.00 H new ATOM 632 N PRO A 42 -10.807 12.933 2.689 1.00 0.00 N ATOM 633 CA PRO A 42 -11.809 13.249 3.711 1.00 0.00 C ATOM 634 C PRO A 42 -11.193 13.896 4.947 1.00 0.00 C ATOM 635 O PRO A 42 -10.071 13.573 5.333 1.00 0.00 O ATOM 636 CB PRO A 42 -12.399 11.881 4.063 1.00 0.00 C ATOM 637 CG PRO A 42 -11.323 10.906 3.728 1.00 0.00 C ATOM 638 CD PRO A 42 -10.595 11.483 2.545 1.00 0.00 C ATOM 0 HA PRO A 42 -12.545 13.967 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.669 11.826 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.305 11.682 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.647 10.766 4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.742 9.929 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.535 11.228 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.998 11.109 1.604 1.00 0.00 H new ATOM 646 N GLN A 43 -11.936 14.812 5.561 1.00 0.00 N ATOM 647 CA GLN A 43 -11.461 15.505 6.753 1.00 0.00 C ATOM 648 C GLN A 43 -11.930 14.795 8.019 1.00 0.00 C ATOM 649 O GLN A 43 -11.195 14.707 9.002 1.00 0.00 O ATOM 650 CB GLN A 43 -11.952 16.954 6.755 1.00 0.00 C ATOM 651 CG GLN A 43 -11.353 17.801 5.644 1.00 0.00 C ATOM 652 CD GLN A 43 -11.532 19.287 5.882 1.00 0.00 C ATOM 653 OE1 GLN A 43 -12.351 19.702 6.703 1.00 0.00 O ATOM 654 NE2 GLN A 43 -10.765 20.098 5.164 1.00 0.00 N ATOM 0 H GLN A 43 -12.868 15.091 5.253 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.371 15.498 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.038 16.961 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.713 17.409 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.290 17.577 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.817 17.530 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.100 19.711 4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.841 21.108 5.281 1.00 0.00 H new ATOM 663 N PHE A 44 -13.159 14.289 7.987 1.00 0.00 N ATOM 664 CA PHE A 44 -13.727 13.588 9.132 1.00 0.00 C ATOM 665 C PHE A 44 -13.045 12.238 9.336 1.00 0.00 C ATOM 666 O PHE A 44 -12.779 11.829 10.466 1.00 0.00 O ATOM 667 CB PHE A 44 -15.232 13.388 8.940 1.00 0.00 C ATOM 668 CG PHE A 44 -15.581 12.619 7.698 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.746 13.271 6.487 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.743 11.243 7.742 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.068 12.565 5.343 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.064 10.532 6.601 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.226 11.194 5.400 1.00 0.00 C ATOM 0 H PHE A 44 -13.780 14.352 7.180 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.559 14.198 10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.634 12.864 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.718 14.363 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.622 14.343 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.617 10.720 8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.196 13.085 4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.188 9.460 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.476 10.641 4.507 1.00 0.00 H new ATOM 683 N ILE A 45 -12.767 11.550 8.233 1.00 0.00 N ATOM 684 CA ILE A 45 -12.116 10.247 8.290 1.00 0.00 C ATOM 685 C ILE A 45 -11.170 10.157 9.483 1.00 0.00 C ATOM 686 O ILE A 45 -10.429 11.096 9.771 1.00 0.00 O ATOM 687 CB ILE A 45 -11.327 9.955 7.000 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.118 8.449 6.834 1.00 0.00 C ATOM 689 CG2 ILE A 45 -9.991 10.682 7.021 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.580 8.059 5.475 1.00 0.00 C ATOM 0 H ILE A 45 -12.982 11.873 7.290 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.906 9.504 8.399 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.903 10.318 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.429 8.099 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.067 7.938 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.445 10.466 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.162 11.756 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.407 10.346 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.457 6.977 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.279 8.378 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.616 8.541 5.313 1.00 0.00 H new ATOM 702 N GLN A 46 -11.201 9.020 10.171 1.00 0.00 N ATOM 703 CA GLN A 46 -10.345 8.806 11.331 1.00 0.00 C ATOM 704 C GLN A 46 -9.028 8.154 10.924 1.00 0.00 C ATOM 705 O GLN A 46 -8.026 8.262 11.630 1.00 0.00 O ATOM 706 CB GLN A 46 -11.060 7.936 12.366 1.00 0.00 C ATOM 707 CG GLN A 46 -11.952 8.724 13.312 1.00 0.00 C ATOM 708 CD GLN A 46 -11.168 9.424 14.405 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.262 10.211 14.128 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.512 9.141 15.655 1.00 0.00 N ATOM 0 H GLN A 46 -11.810 8.233 9.945 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.126 9.778 11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.663 7.191 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.316 7.394 12.949 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.515 9.464 12.743 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.679 8.050 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.269 8.483 15.839 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.019 9.582 16.432 1.00 0.00 H new ATOM 719 N GLY A 47 -9.037 7.477 9.780 1.00 0.00 N ATOM 720 CA GLY A 47 -7.838 6.817 9.299 1.00 0.00 C ATOM 721 C GLY A 47 -8.076 6.043 8.017 1.00 0.00 C ATOM 722 O GLY A 47 -8.839 6.478 7.155 1.00 0.00 O ATOM 0 H GLY A 47 -9.854 7.374 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.060 7.562 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.468 6.137 10.067 1.00 0.00 H new ATOM 726 N TYR A 48 -7.420 4.895 7.891 1.00 0.00 N ATOM 727 CA TYR A 48 -7.561 4.061 6.703 1.00 0.00 C ATOM 728 C TYR A 48 -7.384 2.586 7.049 1.00 0.00 C ATOM 729 O TYR A 48 -6.365 2.187 7.614 1.00 0.00 O ATOM 730 CB TYR A 48 -6.541 4.474 5.641 1.00 0.00 C ATOM 731 CG TYR A 48 -6.852 5.800 4.985 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.947 5.940 4.140 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.052 6.913 5.211 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.234 7.150 3.539 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.333 8.128 4.615 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.425 8.241 3.780 1.00 0.00 C ATOM 737 OH TYR A 48 -7.708 9.448 3.183 1.00 0.00 O ATOM 0 H TYR A 48 -6.786 4.521 8.596 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.566 4.204 6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.554 4.528 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.495 3.701 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.584 5.089 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.196 6.827 5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.088 7.242 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.701 8.984 4.802 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.203 10.160 3.629 1.00 0.00 H new ATOM 747 N ARG A 49 -8.383 1.780 6.705 1.00 0.00 N ATOM 748 CA ARG A 49 -8.339 0.349 6.979 1.00 0.00 C ATOM 749 C ARG A 49 -7.794 -0.418 5.778 1.00 0.00 C ATOM 750 O ARG A 49 -8.365 -0.373 4.688 1.00 0.00 O ATOM 751 CB ARG A 49 -9.734 -0.167 7.337 1.00 0.00 C ATOM 752 CG ARG A 49 -9.723 -1.504 8.060 1.00 0.00 C ATOM 753 CD ARG A 49 -11.117 -2.106 8.140 1.00 0.00 C ATOM 754 NE ARG A 49 -11.876 -1.579 9.271 1.00 0.00 N ATOM 755 CZ ARG A 49 -13.163 -1.836 9.476 1.00 0.00 C ATOM 756 NH1 ARG A 49 -13.831 -2.609 8.631 1.00 0.00 N ATOM 757 NH2 ARG A 49 -13.784 -1.319 10.529 1.00 0.00 N ATOM 0 H ARG A 49 -9.233 2.094 6.236 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.671 0.187 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.235 0.571 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.322 -0.262 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.057 -2.194 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.324 -1.372 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.655 -1.900 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.039 -3.190 8.229 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.391 -0.981 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.357 -3.008 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.819 -2.805 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.273 -0.724 11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.772 -1.517 10.686 1.00 0.00 H new ATOM 771 N VAL A 50 -6.685 -1.121 5.985 1.00 0.00 N ATOM 772 CA VAL A 50 -6.063 -1.899 4.919 1.00 0.00 C ATOM 773 C VAL A 50 -6.298 -3.392 5.119 1.00 0.00 C ATOM 774 O VAL A 50 -5.679 -4.018 5.980 1.00 0.00 O ATOM 775 CB VAL A 50 -4.547 -1.634 4.843 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.911 -2.482 3.753 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.276 -0.156 4.607 1.00 0.00 C ATOM 0 H VAL A 50 -6.199 -1.168 6.880 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.527 -1.584 3.984 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.098 -1.914 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.840 -2.281 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.075 -3.537 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.361 -2.236 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.200 0.013 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.737 0.153 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.696 0.426 5.427 1.00 0.00 H new ATOM 787 N MET A 51 -7.195 -3.957 4.318 1.00 0.00 N ATOM 788 CA MET A 51 -7.510 -5.378 4.406 1.00 0.00 C ATOM 789 C MET A 51 -6.603 -6.193 3.491 1.00 0.00 C ATOM 790 O MET A 51 -6.389 -5.835 2.332 1.00 0.00 O ATOM 791 CB MET A 51 -8.975 -5.621 4.040 1.00 0.00 C ATOM 792 CG MET A 51 -9.952 -5.193 5.123 1.00 0.00 C ATOM 793 SD MET A 51 -11.670 -5.497 4.669 1.00 0.00 S ATOM 794 CE MET A 51 -11.757 -7.278 4.844 1.00 0.00 C ATOM 0 H MET A 51 -7.716 -3.453 3.601 1.00 0.00 H new ATOM 0 HA MET A 51 -7.342 -5.699 5.434 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.205 -5.082 3.121 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.118 -6.681 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.724 -5.728 6.045 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.817 -4.131 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.796 -7.600 4.772 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.174 -7.750 4.053 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.354 -7.568 5.814 1.00 0.00 H new ATOM 804 N TYR A 52 -6.072 -7.291 4.017 1.00 0.00 N ATOM 805 CA TYR A 52 -5.185 -8.156 3.248 1.00 0.00 C ATOM 806 C TYR A 52 -5.378 -9.619 3.638 1.00 0.00 C ATOM 807 O TYR A 52 -5.799 -9.925 4.753 1.00 0.00 O ATOM 808 CB TYR A 52 -3.727 -7.747 3.463 1.00 0.00 C ATOM 809 CG TYR A 52 -3.245 -7.947 4.882 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.624 -7.075 5.894 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.410 -9.008 5.210 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.185 -7.253 7.192 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.968 -9.195 6.505 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.357 -8.314 7.493 1.00 0.00 C ATOM 815 OH TYR A 52 -1.919 -8.496 8.784 1.00 0.00 O ATOM 0 H TYR A 52 -6.240 -7.603 4.973 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.435 -8.044 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.094 -8.323 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.609 -6.698 3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.273 -6.243 5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.101 -9.698 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.489 -6.565 7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.321 -10.027 6.743 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.345 -9.289 8.826 1.00 0.00 H new ATOM 825 N ARG A 53 -5.065 -10.517 2.710 1.00 0.00 N ATOM 826 CA ARG A 53 -5.204 -11.948 2.955 1.00 0.00 C ATOM 827 C ARG A 53 -4.588 -12.756 1.817 1.00 0.00 C ATOM 828 O ARG A 53 -4.348 -12.232 0.729 1.00 0.00 O ATOM 829 CB ARG A 53 -6.679 -12.318 3.117 1.00 0.00 C ATOM 830 CG ARG A 53 -7.453 -12.329 1.809 1.00 0.00 C ATOM 831 CD ARG A 53 -8.641 -13.275 1.872 1.00 0.00 C ATOM 832 NE ARG A 53 -9.227 -13.506 0.554 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.440 -14.015 0.368 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.192 -14.343 1.410 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.904 -14.195 -0.862 1.00 0.00 N ATOM 0 H ARG A 53 -4.714 -10.280 1.782 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.673 -12.187 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.749 -13.303 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.149 -11.611 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.801 -11.321 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.791 -12.628 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.325 -14.226 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.398 -12.862 2.538 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.675 -13.263 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.839 -14.205 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.123 -14.734 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.329 -13.943 -1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.835 -14.586 -1.004 1.00 0.00 H new ATOM 849 N GLN A 54 -4.335 -14.035 2.076 1.00 0.00 N ATOM 850 CA GLN A 54 -3.745 -14.915 1.073 1.00 0.00 C ATOM 851 C GLN A 54 -4.766 -15.276 -0.002 1.00 0.00 C ATOM 852 O GLN A 54 -5.961 -15.385 0.273 1.00 0.00 O ATOM 853 CB GLN A 54 -3.210 -16.187 1.732 1.00 0.00 C ATOM 854 CG GLN A 54 -2.028 -16.801 0.999 1.00 0.00 C ATOM 855 CD GLN A 54 -1.370 -17.918 1.784 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.444 -17.683 2.562 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.844 -19.142 1.586 1.00 0.00 N ATOM 0 H GLN A 54 -4.529 -14.485 2.971 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.919 -14.384 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.913 -15.959 2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.013 -16.922 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.363 -17.187 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.291 -16.025 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.612 -19.292 0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.440 -19.933 2.088 1.00 0.00 H new ATOM 866 N THR A 55 -4.286 -15.459 -1.228 1.00 0.00 N ATOM 867 CA THR A 55 -5.156 -15.806 -2.345 1.00 0.00 C ATOM 868 C THR A 55 -4.931 -17.247 -2.790 1.00 0.00 C ATOM 869 O THR A 55 -5.828 -17.883 -3.343 1.00 0.00 O ATOM 870 CB THR A 55 -4.931 -14.868 -3.545 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.676 -15.164 -4.169 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.953 -13.412 -3.105 1.00 0.00 C ATOM 0 H THR A 55 -3.300 -15.373 -1.473 1.00 0.00 H new ATOM 0 HA THR A 55 -6.182 -15.693 -1.994 1.00 0.00 H new ATOM 0 HB THR A 55 -5.739 -15.027 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.675 -14.813 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.792 -12.768 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.919 -13.182 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.163 -13.241 -2.373 1.00 0.00 H new ATOM 880 N SER A 56 -3.727 -17.755 -2.546 1.00 0.00 N ATOM 881 CA SER A 56 -3.383 -19.120 -2.926 1.00 0.00 C ATOM 882 C SER A 56 -2.690 -19.845 -1.776 1.00 0.00 C ATOM 883 O SER A 56 -2.147 -19.217 -0.868 1.00 0.00 O ATOM 884 CB SER A 56 -2.479 -19.117 -4.160 1.00 0.00 C ATOM 885 OG SER A 56 -2.522 -20.366 -4.827 1.00 0.00 O ATOM 0 H SER A 56 -2.974 -17.242 -2.087 1.00 0.00 H new ATOM 0 HA SER A 56 -4.306 -19.648 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.792 -18.326 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.454 -18.895 -3.863 1.00 0.00 H new ATOM 0 HG SER A 56 -1.937 -20.337 -5.613 1.00 0.00 H new ATOM 891 N GLY A 57 -2.713 -21.174 -1.823 1.00 0.00 N ATOM 892 CA GLY A 57 -2.084 -21.964 -0.780 1.00 0.00 C ATOM 893 C GLY A 57 -3.095 -22.622 0.138 1.00 0.00 C ATOM 894 O GLY A 57 -4.127 -23.117 -0.315 1.00 0.00 O ATOM 0 H GLY A 57 -3.156 -21.717 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.459 -22.731 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.425 -21.325 -0.192 1.00 0.00 H new ATOM 898 N LEU A 58 -2.798 -22.629 1.433 1.00 0.00 N ATOM 899 CA LEU A 58 -3.688 -23.232 2.419 1.00 0.00 C ATOM 900 C LEU A 58 -4.514 -22.166 3.132 1.00 0.00 C ATOM 901 O LEU A 58 -5.714 -22.335 3.341 1.00 0.00 O ATOM 902 CB LEU A 58 -2.881 -24.036 3.439 1.00 0.00 C ATOM 903 CG LEU A 58 -3.596 -25.233 4.068 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.555 -24.772 5.153 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.335 -26.032 3.004 1.00 0.00 C ATOM 0 H LEU A 58 -1.948 -22.224 1.825 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.370 -23.902 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.974 -24.395 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.570 -23.363 4.238 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.847 -25.880 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.054 -25.637 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.000 -24.244 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.299 -24.103 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.838 -26.880 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.073 -25.395 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.624 -26.395 2.262 1.00 0.00 H new ATOM 917 N GLN A 59 -3.861 -21.069 3.501 1.00 0.00 N ATOM 918 CA GLN A 59 -4.536 -19.974 4.189 1.00 0.00 C ATOM 919 C GLN A 59 -5.204 -19.033 3.192 1.00 0.00 C ATOM 920 O GLN A 59 -5.477 -17.875 3.504 1.00 0.00 O ATOM 921 CB GLN A 59 -3.541 -19.198 5.054 1.00 0.00 C ATOM 922 CG GLN A 59 -3.231 -19.874 6.380 1.00 0.00 C ATOM 923 CD GLN A 59 -2.281 -19.063 7.240 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.707 -18.321 8.125 1.00 0.00 O ATOM 925 NE2 GLN A 59 -0.986 -19.201 6.984 1.00 0.00 N ATOM 0 H GLN A 59 -2.866 -20.914 3.336 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.308 -20.401 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.613 -19.067 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.940 -18.202 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.160 -20.037 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.796 -20.855 6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.677 -19.827 6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.300 -18.681 7.531 1.00 0.00 H new ATOM 934 N ALA A 60 -5.464 -19.540 1.991 1.00 0.00 N ATOM 935 CA ALA A 60 -6.101 -18.745 0.949 1.00 0.00 C ATOM 936 C ALA A 60 -7.581 -18.533 1.247 1.00 0.00 C ATOM 937 O ALA A 60 -8.301 -19.478 1.574 1.00 0.00 O ATOM 938 CB ALA A 60 -5.924 -19.413 -0.407 1.00 0.00 C ATOM 0 H ALA A 60 -5.243 -20.497 1.716 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.619 -17.768 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.405 -18.808 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.861 -19.507 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.379 -20.403 -0.387 1.00 0.00 H new ATOM 944 N THR A 61 -8.031 -17.287 1.134 1.00 0.00 N ATOM 945 CA THR A 61 -9.425 -16.951 1.394 1.00 0.00 C ATOM 946 C THR A 61 -9.950 -17.693 2.618 1.00 0.00 C ATOM 947 O THR A 61 -11.131 -18.033 2.690 1.00 0.00 O ATOM 948 CB THR A 61 -10.318 -17.284 0.184 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.637 -16.767 0.391 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.387 -18.787 -0.040 1.00 0.00 C ATOM 0 H THR A 61 -7.450 -16.494 0.864 1.00 0.00 H new ATOM 0 HA THR A 61 -9.462 -15.878 1.579 1.00 0.00 H new ATOM 0 HB THR A 61 -9.881 -16.820 -0.700 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.940 -16.996 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.023 -18.998 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.385 -19.173 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.802 -19.268 0.845 1.00 0.00 H new ATOM 958 N SER A 62 -9.066 -17.940 3.579 1.00 0.00 N ATOM 959 CA SER A 62 -9.440 -18.644 4.800 1.00 0.00 C ATOM 960 C SER A 62 -9.894 -17.663 5.876 1.00 0.00 C ATOM 961 O SER A 62 -10.744 -17.984 6.707 1.00 0.00 O ATOM 962 CB SER A 62 -8.264 -19.476 5.315 1.00 0.00 C ATOM 963 OG SER A 62 -8.627 -20.210 6.472 1.00 0.00 O ATOM 0 H SER A 62 -8.085 -17.663 3.536 1.00 0.00 H new ATOM 0 HA SER A 62 -10.271 -19.309 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.930 -20.161 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.424 -18.821 5.545 1.00 0.00 H new ATOM 0 HG SER A 62 -7.859 -20.735 6.781 1.00 0.00 H new ATOM 969 N SER A 63 -9.320 -16.464 5.854 1.00 0.00 N ATOM 970 CA SER A 63 -9.661 -15.435 6.830 1.00 0.00 C ATOM 971 C SER A 63 -9.012 -14.104 6.465 1.00 0.00 C ATOM 972 O SER A 63 -7.789 -14.002 6.371 1.00 0.00 O ATOM 973 CB SER A 63 -9.219 -15.864 8.231 1.00 0.00 C ATOM 974 OG SER A 63 -10.200 -16.680 8.848 1.00 0.00 O ATOM 0 H SER A 63 -8.617 -16.181 5.171 1.00 0.00 H new ATOM 0 HA SER A 63 -10.743 -15.306 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.277 -16.408 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.037 -14.982 8.845 1.00 0.00 H new ATOM 0 HG SER A 63 -10.449 -17.408 8.241 1.00 0.00 H new ATOM 980 N TRP A 64 -9.840 -13.086 6.261 1.00 0.00 N ATOM 981 CA TRP A 64 -9.348 -11.760 5.906 1.00 0.00 C ATOM 982 C TRP A 64 -8.752 -11.057 7.121 1.00 0.00 C ATOM 983 O TRP A 64 -9.087 -11.378 8.261 1.00 0.00 O ATOM 984 CB TRP A 64 -10.478 -10.914 5.317 1.00 0.00 C ATOM 985 CG TRP A 64 -10.600 -11.040 3.828 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.484 -11.822 3.141 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.809 -10.365 2.844 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.291 -11.674 1.789 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.269 -10.785 1.580 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.758 -9.446 2.906 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.714 -10.316 0.393 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.208 -8.982 1.727 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.686 -9.417 0.484 1.00 0.00 C ATOM 0 H TRP A 64 -10.855 -13.153 6.335 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.565 -11.880 5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.421 -11.208 5.778 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.311 -9.868 5.574 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.226 -12.463 3.594 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.822 -12.149 1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.382 -9.105 3.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.082 -10.650 -0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.395 -8.272 1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.235 -9.036 -0.420 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.867 -10.098 6.870 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.225 -9.351 7.945 1.00 0.00 C ATOM 1006 C GLN A 65 -7.489 -7.856 7.802 1.00 0.00 C ATOM 1007 O GLN A 65 -7.916 -7.389 6.747 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.718 -9.617 7.949 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.350 -11.022 8.396 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.852 -11.251 8.426 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.269 -11.754 7.464 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.218 -10.883 9.533 1.00 0.00 N ATOM 0 H GLN A 65 -7.578 -9.820 5.932 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.649 -9.687 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.325 -9.449 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.232 -8.896 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.761 -11.203 9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.811 -11.746 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.740 -10.470 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.209 -11.013 9.610 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.231 -7.109 8.871 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.441 -5.666 8.865 1.00 0.00 C ATOM 1023 C ASN A 66 -6.282 -4.944 9.546 1.00 0.00 C ATOM 1024 O ASN A 66 -5.872 -5.308 10.649 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.756 -5.319 9.567 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.870 -6.287 9.219 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.876 -6.884 8.142 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.821 -6.447 10.132 1.00 0.00 N ATOM 0 H ASN A 66 -6.876 -7.480 9.753 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.492 -5.335 7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.600 -5.321 10.646 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.057 -4.309 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.597 -7.085 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.776 -5.932 11.011 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.760 -3.919 8.882 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.648 -3.145 9.422 1.00 0.00 C ATOM 1037 C LEU A 67 -5.013 -1.668 9.526 1.00 0.00 C ATOM 1038 O LEU A 67 -4.858 -0.911 8.567 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.407 -3.315 8.544 1.00 0.00 C ATOM 1040 CG LEU A 67 -2.218 -2.414 8.880 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.354 -3.051 9.957 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.395 -2.129 7.632 1.00 0.00 C ATOM 0 H LEU A 67 -6.089 -3.605 7.969 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.430 -3.518 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.080 -4.353 8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.692 -3.135 7.508 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.600 -1.467 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.513 -2.396 10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.948 -3.203 10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.981 -4.012 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.553 -1.486 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.023 -3.067 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.019 -1.629 6.891 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.497 -1.264 10.695 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.881 0.124 10.925 1.00 0.00 C ATOM 1056 C ASP A 68 -4.649 1.013 11.065 1.00 0.00 C ATOM 1057 O ASP A 68 -3.909 0.915 12.044 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.749 0.234 12.180 1.00 0.00 C ATOM 1059 CG ASP A 68 -7.033 1.673 12.563 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -6.911 2.556 11.688 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -7.379 1.916 13.738 1.00 0.00 O ATOM 0 H ASP A 68 -5.633 -1.878 11.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.456 0.463 10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.692 -0.287 12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.250 -0.268 13.009 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.435 1.879 10.080 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.294 2.785 10.094 1.00 0.00 C ATOM 1068 C ALA A 69 -3.357 3.729 11.290 1.00 0.00 C ATOM 1069 O ALA A 69 -2.336 4.258 11.731 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.233 3.578 8.796 1.00 0.00 C ATOM 0 H ALA A 69 -5.037 1.972 9.262 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.388 2.186 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.376 4.251 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.132 2.892 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.148 4.160 8.682 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.561 3.937 11.811 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.758 4.817 12.957 1.00 0.00 C ATOM 1078 C LYS A 70 -4.134 6.186 12.706 1.00 0.00 C ATOM 1079 O LYS A 70 -3.608 6.817 13.623 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.154 4.192 14.216 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.977 3.048 14.783 1.00 0.00 C ATOM 1082 CD LYS A 70 -4.427 2.572 16.117 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.500 1.888 16.950 1.00 0.00 C ATOM 1084 NZ LYS A 70 -6.455 2.868 17.538 1.00 0.00 N ATOM 0 H LYS A 70 -5.416 3.508 11.458 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.830 4.948 13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.152 3.829 13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.046 4.963 14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.011 3.370 14.909 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.985 2.219 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.602 1.881 15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.022 3.421 16.669 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.045 1.178 16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.029 1.315 17.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.018 2.403 18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.926 3.662 17.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.088 3.225 16.794 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.195 6.639 11.458 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.638 7.935 11.087 1.00 0.00 C ATOM 1100 C VAL A 71 -4.255 8.448 9.791 1.00 0.00 C ATOM 1101 O VAL A 71 -4.024 7.909 8.708 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.109 7.860 10.920 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.562 9.185 10.409 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.448 7.474 12.235 1.00 0.00 C ATOM 0 H VAL A 71 -4.624 6.128 10.687 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.875 8.625 11.896 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.879 7.090 10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.480 9.113 10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.012 9.416 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.801 9.976 11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.368 7.426 12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.685 8.220 12.994 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.817 6.500 12.556 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.060 9.515 9.901 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.727 10.126 8.747 1.00 0.00 C ATOM 1116 C PRO A 72 -4.747 10.838 7.821 1.00 0.00 C ATOM 1117 O PRO A 72 -5.009 11.001 6.629 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.687 11.133 9.385 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.072 11.462 10.701 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.380 10.208 11.160 1.00 0.00 C ATOM 0 HA PRO A 72 -6.221 9.383 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.796 12.023 8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.683 10.707 9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.364 12.286 10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.830 11.774 11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.482 10.432 11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.025 9.604 11.799 1.00 0.00 H new ATOM 1128 N THR A 73 -3.615 11.261 8.376 1.00 0.00 N ATOM 1129 CA THR A 73 -2.596 11.955 7.600 1.00 0.00 C ATOM 1130 C THR A 73 -1.720 10.970 6.835 1.00 0.00 C ATOM 1131 O THR A 73 -0.987 11.355 5.925 1.00 0.00 O ATOM 1132 CB THR A 73 -1.701 12.827 8.501 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.062 12.014 9.491 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.516 13.917 9.182 1.00 0.00 C ATOM 0 H THR A 73 -3.381 11.135 9.361 1.00 0.00 H new ATOM 0 HA THR A 73 -3.121 12.596 6.892 1.00 0.00 H new ATOM 0 HB THR A 73 -0.944 13.299 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.494 12.576 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.862 14.520 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.977 14.552 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.293 13.461 9.796 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.803 9.697 7.210 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.016 8.657 6.557 1.00 0.00 C ATOM 1144 C GLU A 74 -1.751 8.103 5.340 1.00 0.00 C ATOM 1145 O GLU A 74 -2.903 7.680 5.436 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.711 7.525 7.541 1.00 0.00 C ATOM 1147 CG GLU A 74 0.574 7.732 8.326 1.00 0.00 C ATOM 1148 CD GLU A 74 1.788 7.165 7.618 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.803 5.945 7.349 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.724 7.941 7.333 1.00 0.00 O ATOM 0 H GLU A 74 -2.406 9.362 7.961 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.078 9.101 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.542 7.428 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.645 6.586 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.723 8.798 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.477 7.263 9.305 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.076 8.109 4.195 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.664 7.609 2.959 1.00 0.00 C ATOM 1159 C ARG A 75 -0.911 6.380 2.456 1.00 0.00 C ATOM 1160 O ARG A 75 -0.975 6.041 1.275 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.653 8.700 1.886 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.664 9.808 2.135 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.116 10.453 0.834 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.095 11.336 0.278 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.202 11.930 -0.906 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.279 11.735 -1.654 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.230 12.720 -1.343 1.00 0.00 N ATOM 0 H ARG A 75 -0.121 8.455 4.098 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.695 7.323 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.655 9.135 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.855 8.246 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.528 9.402 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.223 10.565 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.357 9.676 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.030 11.021 1.009 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.253 11.506 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.028 11.128 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.359 12.192 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.400 12.872 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.313 13.176 -2.252 1.00 0.00 H new ATOM 1181 N SER A 76 -0.198 5.718 3.362 1.00 0.00 N ATOM 1182 CA SER A 76 0.570 4.530 3.010 1.00 0.00 C ATOM 1183 C SER A 76 0.681 3.583 4.201 1.00 0.00 C ATOM 1184 O SER A 76 0.419 3.967 5.340 1.00 0.00 O ATOM 1185 CB SER A 76 1.967 4.925 2.526 1.00 0.00 C ATOM 1186 OG SER A 76 2.662 5.658 3.519 1.00 0.00 O ATOM 0 H SER A 76 -0.136 5.984 4.345 1.00 0.00 H new ATOM 0 HA SER A 76 0.047 4.014 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.533 4.030 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.885 5.523 1.618 1.00 0.00 H new ATOM 0 HG SER A 76 3.552 5.897 3.186 1.00 0.00 H new ATOM 1192 N ALA A 77 1.073 2.342 3.928 1.00 0.00 N ATOM 1193 CA ALA A 77 1.221 1.340 4.976 1.00 0.00 C ATOM 1194 C ALA A 77 2.143 0.211 4.529 1.00 0.00 C ATOM 1195 O ALA A 77 2.317 -0.026 3.333 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.140 0.786 5.373 1.00 0.00 C ATOM 0 H ALA A 77 1.294 2.007 2.990 1.00 0.00 H new ATOM 0 HA ALA A 77 1.672 1.821 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.014 0.039 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.769 1.596 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.613 0.326 4.505 1.00 0.00 H new ATOM 1202 N VAL A 78 2.734 -0.483 5.496 1.00 0.00 N ATOM 1203 CA VAL A 78 3.639 -1.588 5.202 1.00 0.00 C ATOM 1204 C VAL A 78 3.201 -2.862 5.916 1.00 0.00 C ATOM 1205 O VAL A 78 3.252 -2.947 7.144 1.00 0.00 O ATOM 1206 CB VAL A 78 5.085 -1.254 5.612 1.00 0.00 C ATOM 1207 CG1 VAL A 78 6.012 -2.418 5.299 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.555 0.015 4.917 1.00 0.00 C ATOM 0 H VAL A 78 2.602 -0.300 6.491 1.00 0.00 H new ATOM 0 HA VAL A 78 3.603 -1.748 4.124 1.00 0.00 H new ATOM 0 HB VAL A 78 5.109 -1.082 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.029 -2.163 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.685 -3.301 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.987 -2.625 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.579 0.237 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.517 -0.126 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.907 0.845 5.198 1.00 0.00 H new ATOM 1218 N LEU A 79 2.772 -3.851 5.141 1.00 0.00 N ATOM 1219 CA LEU A 79 2.325 -5.123 5.699 1.00 0.00 C ATOM 1220 C LEU A 79 3.509 -6.050 5.957 1.00 0.00 C ATOM 1221 O LEU A 79 4.177 -6.494 5.024 1.00 0.00 O ATOM 1222 CB LEU A 79 1.331 -5.797 4.751 1.00 0.00 C ATOM 1223 CG LEU A 79 0.155 -4.936 4.288 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.439 -5.492 3.003 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.905 -4.852 5.376 1.00 0.00 C ATOM 0 H LEU A 79 2.724 -3.797 4.124 1.00 0.00 H new ATOM 0 HA LEU A 79 1.831 -4.922 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.874 -6.138 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.934 -6.684 5.244 1.00 0.00 H new ATOM 0 HG LEU A 79 0.522 -3.929 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.275 -4.867 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.323 -5.499 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.791 -6.509 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.734 -4.235 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.269 -5.853 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.472 -4.407 6.272 1.00 0.00 H new ATOM 1237 N VAL A 80 3.761 -6.339 7.229 1.00 0.00 N ATOM 1238 CA VAL A 80 4.861 -7.216 7.611 1.00 0.00 C ATOM 1239 C VAL A 80 4.356 -8.610 7.963 1.00 0.00 C ATOM 1240 O VAL A 80 3.156 -8.878 7.913 1.00 0.00 O ATOM 1241 CB VAL A 80 5.643 -6.647 8.809 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.209 -5.275 8.475 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.754 -6.580 10.042 1.00 0.00 C ATOM 0 H VAL A 80 3.218 -5.978 8.013 1.00 0.00 H new ATOM 0 HA VAL A 80 5.527 -7.281 6.750 1.00 0.00 H new ATOM 0 HB VAL A 80 6.477 -7.314 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.758 -4.889 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.881 -5.357 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.393 -4.595 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.323 -6.176 10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.899 -5.935 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.403 -7.581 10.292 1.00 0.00 H new ATOM 1253 N ASN A 81 5.280 -9.496 8.321 1.00 0.00 N ATOM 1254 CA ASN A 81 4.929 -10.864 8.683 1.00 0.00 C ATOM 1255 C ASN A 81 4.180 -11.552 7.546 1.00 0.00 C ATOM 1256 O ASN A 81 3.093 -12.097 7.743 1.00 0.00 O ATOM 1257 CB ASN A 81 4.073 -10.874 9.951 1.00 0.00 C ATOM 1258 CG ASN A 81 4.910 -10.808 11.214 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.854 -11.579 11.388 1.00 0.00 O ATOM 1260 ND2 ASN A 81 4.567 -9.883 12.103 1.00 0.00 N ATOM 0 H ASN A 81 6.278 -9.291 8.368 1.00 0.00 H new ATOM 0 HA ASN A 81 5.852 -11.412 8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.386 -10.028 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.465 -11.778 9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.094 -9.790 12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.777 -9.265 11.917 1.00 0.00 H new ATOM 1267 N LEU A 82 4.769 -11.525 6.355 1.00 0.00 N ATOM 1268 CA LEU A 82 4.159 -12.146 5.185 1.00 0.00 C ATOM 1269 C LEU A 82 4.951 -13.374 4.746 1.00 0.00 C ATOM 1270 O LEU A 82 6.158 -13.462 4.971 1.00 0.00 O ATOM 1271 CB LEU A 82 4.075 -11.142 4.035 1.00 0.00 C ATOM 1272 CG LEU A 82 3.314 -9.848 4.328 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.627 -8.795 3.276 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.817 -10.113 4.391 1.00 0.00 C ATOM 0 H LEU A 82 5.669 -11.079 6.175 1.00 0.00 H new ATOM 0 HA LEU A 82 3.152 -12.463 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.089 -10.883 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.603 -11.633 3.184 1.00 0.00 H new ATOM 0 HG LEU A 82 3.637 -9.470 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.077 -7.881 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.696 -8.585 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.332 -9.164 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.291 -9.181 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.478 -10.514 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.608 -10.833 5.182 1.00 0.00 H new ATOM 1286 N LYS A 83 4.263 -14.321 4.116 1.00 0.00 N ATOM 1287 CA LYS A 83 4.901 -15.543 3.641 1.00 0.00 C ATOM 1288 C LYS A 83 5.749 -15.269 2.404 1.00 0.00 C ATOM 1289 O LYS A 83 5.716 -14.171 1.846 1.00 0.00 O ATOM 1290 CB LYS A 83 3.845 -16.604 3.324 1.00 0.00 C ATOM 1291 CG LYS A 83 3.257 -17.266 4.558 1.00 0.00 C ATOM 1292 CD LYS A 83 2.659 -18.624 4.231 1.00 0.00 C ATOM 1293 CE LYS A 83 3.738 -19.682 4.059 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.209 -21.055 4.285 1.00 0.00 N ATOM 0 H LYS A 83 3.263 -14.265 3.923 1.00 0.00 H new ATOM 0 HA LYS A 83 5.553 -15.913 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.040 -16.143 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.291 -17.370 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.033 -17.382 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.488 -16.622 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.978 -18.924 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.069 -18.552 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.156 -19.615 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.552 -19.487 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.975 -21.747 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.833 -21.127 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.449 -21.251 3.603 1.00 0.00 H new ATOM 1308 N LYS A 84 6.508 -16.273 1.978 1.00 0.00 N ATOM 1309 CA LYS A 84 7.364 -16.141 0.805 1.00 0.00 C ATOM 1310 C LYS A 84 6.915 -17.087 -0.305 1.00 0.00 C ATOM 1311 O LYS A 84 6.716 -18.279 -0.075 1.00 0.00 O ATOM 1312 CB LYS A 84 8.821 -16.428 1.175 1.00 0.00 C ATOM 1313 CG LYS A 84 9.368 -15.506 2.251 1.00 0.00 C ATOM 1314 CD LYS A 84 9.135 -16.072 3.642 1.00 0.00 C ATOM 1315 CE LYS A 84 10.270 -16.991 4.066 1.00 0.00 C ATOM 1316 NZ LYS A 84 9.904 -17.812 5.253 1.00 0.00 N ATOM 0 H LYS A 84 6.548 -17.188 2.428 1.00 0.00 H new ATOM 0 HA LYS A 84 7.283 -15.117 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.904 -17.460 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.439 -16.337 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.436 -15.354 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.892 -14.529 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.040 -15.255 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.194 -16.622 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.534 -17.648 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.154 -16.395 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.704 -18.425 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.676 -17.186 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.076 -18.400 5.027 1.00 0.00 H new ATOM 1330 N GLY A 85 6.758 -16.547 -1.510 1.00 0.00 N ATOM 1331 CA GLY A 85 6.335 -17.357 -2.637 1.00 0.00 C ATOM 1332 C GLY A 85 4.830 -17.525 -2.698 1.00 0.00 C ATOM 1333 O GLY A 85 4.324 -18.646 -2.762 1.00 0.00 O ATOM 0 H GLY A 85 6.916 -15.563 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.684 -16.898 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.805 -18.338 -2.572 1.00 0.00 H new ATOM 1337 N VAL A 86 4.110 -16.407 -2.676 1.00 0.00 N ATOM 1338 CA VAL A 86 2.653 -16.435 -2.729 1.00 0.00 C ATOM 1339 C VAL A 86 2.087 -15.047 -3.005 1.00 0.00 C ATOM 1340 O VAL A 86 2.705 -14.034 -2.675 1.00 0.00 O ATOM 1341 CB VAL A 86 2.054 -16.970 -1.414 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.239 -15.959 -0.293 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.583 -17.310 -1.599 1.00 0.00 C ATOM 0 H VAL A 86 4.512 -15.471 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 86 2.378 -17.105 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 86 2.583 -17.883 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.810 -16.354 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.302 -15.770 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.738 -15.028 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.176 -17.686 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.038 -16.415 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.480 -18.073 -2.371 1.00 0.00 H new ATOM 1353 N THR A 87 0.904 -15.006 -3.611 1.00 0.00 N ATOM 1354 CA THR A 87 0.254 -13.742 -3.933 1.00 0.00 C ATOM 1355 C THR A 87 -0.639 -13.277 -2.788 1.00 0.00 C ATOM 1356 O THR A 87 -1.198 -14.091 -2.053 1.00 0.00 O ATOM 1357 CB THR A 87 -0.593 -13.856 -5.215 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.001 -14.802 -6.111 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.716 -12.505 -5.903 1.00 0.00 C ATOM 0 H THR A 87 0.377 -15.834 -3.888 1.00 0.00 H new ATOM 0 HA THR A 87 1.046 -13.011 -4.094 1.00 0.00 H new ATOM 0 HB THR A 87 -1.591 -14.196 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.544 -14.870 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.318 -12.610 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.194 -11.795 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.276 -12.140 -6.169 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.768 -11.963 -2.642 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.592 -11.389 -1.585 1.00 0.00 C ATOM 1369 C TYR A 88 -2.462 -10.258 -2.125 1.00 0.00 C ATOM 1370 O TYR A 88 -1.980 -9.372 -2.830 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.711 -10.870 -0.447 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.323 -11.935 0.553 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.190 -12.308 1.572 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.912 -12.569 0.479 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.840 -13.280 2.489 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.270 -13.544 1.390 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.391 -13.896 2.393 1.00 0.00 C ATOM 1378 OH TYR A 88 0.745 -14.865 3.303 1.00 0.00 O ATOM 0 H TYR A 88 -0.313 -11.275 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.244 -12.174 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.194 -10.434 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.238 -10.070 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.155 -11.829 1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.603 -12.295 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.526 -13.556 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.233 -14.028 1.317 1.00 0.00 H new ATOM 0 HH TYR A 88 0.341 -15.720 3.044 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.748 -10.297 -1.788 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.686 -9.276 -2.240 1.00 0.00 C ATOM 1390 C GLU A 89 -4.943 -8.249 -1.141 1.00 0.00 C ATOM 1391 O GLU A 89 -5.250 -8.605 -0.003 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.006 -9.919 -2.670 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.058 -8.915 -3.109 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.363 -9.575 -3.512 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.703 -10.622 -2.923 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.043 -9.045 -4.415 1.00 0.00 O ATOM 0 H GLU A 89 -4.163 -11.023 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.243 -8.765 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.813 -10.612 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.401 -10.507 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.246 -8.213 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.674 -8.336 -3.949 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.813 -6.973 -1.490 1.00 0.00 N ATOM 1404 CA ILE A 90 -5.031 -5.894 -0.534 1.00 0.00 C ATOM 1405 C ILE A 90 -5.781 -4.733 -1.178 1.00 0.00 C ATOM 1406 O ILE A 90 -5.612 -4.451 -2.364 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.700 -5.375 0.042 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.854 -6.540 0.560 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.960 -4.368 1.152 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.947 -7.142 -0.491 1.00 0.00 C ATOM 0 H ILE A 90 -4.558 -6.661 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.632 -6.306 0.277 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.148 -4.875 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.247 -6.194 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.516 -7.316 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.010 -4.011 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.527 -3.526 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.530 -4.845 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.377 -7.962 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.549 -7.519 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.261 -6.379 -0.859 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.610 -4.060 -0.387 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.385 -2.927 -0.877 1.00 0.00 C ATOM 1424 C LYS A 91 -7.544 -1.867 0.209 1.00 0.00 C ATOM 1425 O LYS A 91 -7.899 -2.177 1.346 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.761 -3.392 -1.356 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.557 -4.132 -0.294 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.287 -5.627 -0.335 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.179 -6.381 0.639 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.525 -6.651 0.062 1.00 0.00 N ATOM 0 H LYS A 91 -6.762 -4.280 0.597 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.846 -2.486 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.333 -2.526 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.635 -4.042 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.301 -3.742 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.621 -3.949 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.453 -6.000 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.241 -5.816 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.704 -7.324 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.286 -5.802 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.103 -7.166 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.988 -5.750 -0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.425 -7.225 -0.799 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.280 -0.614 -0.150 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.397 0.492 0.793 1.00 0.00 C ATOM 1446 C VAL A 92 -8.836 0.987 0.883 1.00 0.00 C ATOM 1447 O VAL A 92 -9.451 1.326 -0.128 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.485 1.667 0.394 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.736 2.867 1.296 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.024 1.248 0.444 1.00 0.00 C ATOM 0 H VAL A 92 -6.984 -0.340 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.085 0.114 1.766 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.721 1.957 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.083 3.688 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.776 3.180 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.529 2.594 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.394 2.091 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.771 0.931 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.859 0.421 -0.247 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.367 1.026 2.101 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.735 1.480 2.324 1.00 0.00 C ATOM 1462 C ARG A 93 -10.806 2.425 3.519 1.00 0.00 C ATOM 1463 O ARG A 93 -10.433 2.078 4.640 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.661 0.283 2.550 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.105 -0.741 3.526 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.169 -1.741 3.951 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.405 -2.757 2.928 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.245 -2.596 1.912 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.925 -1.465 1.783 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.405 -3.567 1.022 1.00 0.00 N ATOM 0 H ARG A 93 -8.871 0.749 2.948 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.062 2.021 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.621 0.642 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.851 -0.205 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.271 -1.270 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.712 -0.231 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.862 -2.225 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.100 -1.213 4.160 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.897 -3.639 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.804 -0.716 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.570 -1.344 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.883 -4.438 1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.050 -3.443 0.242 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.296 3.650 3.277 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.428 4.671 4.321 1.00 0.00 C ATOM 1486 C PRO A 94 -12.517 4.328 5.332 1.00 0.00 C ATOM 1487 O PRO A 94 -13.462 3.604 5.020 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.802 5.932 3.538 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.449 5.428 2.294 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.760 4.133 1.965 1.00 0.00 C ATOM 0 HA PRO A 94 -10.516 4.773 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.481 6.565 4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.921 6.533 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.518 5.274 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.342 6.145 1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.441 3.424 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.929 4.284 1.276 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.378 4.854 6.544 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.349 4.602 7.602 1.00 0.00 C ATOM 1500 C TYR A 95 -13.281 5.686 8.673 1.00 0.00 C ATOM 1501 O TYR A 95 -12.209 6.207 8.980 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.103 3.230 8.233 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.092 3.254 9.357 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.453 3.666 10.634 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.776 2.865 9.143 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.533 3.690 11.664 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.849 2.884 10.167 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.233 3.297 11.426 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.312 3.319 12.449 1.00 0.00 O ATOM 0 H TYR A 95 -11.603 5.457 6.818 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.344 4.617 7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.047 2.839 8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.760 2.541 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.471 3.973 10.825 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.472 2.542 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.830 4.015 12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.830 2.577 9.983 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.425 3.521 12.086 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.436 6.022 9.239 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.510 7.045 10.276 1.00 0.00 C ATOM 1521 C PHE A 96 -14.690 6.411 11.653 1.00 0.00 C ATOM 1522 O PHE A 96 -13.754 6.354 12.449 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.664 8.008 9.991 1.00 0.00 C ATOM 1524 CG PHE A 96 -15.788 9.111 11.003 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -14.763 10.026 11.180 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -16.931 9.232 11.778 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -14.875 11.042 12.110 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.048 10.246 12.709 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.019 11.152 12.876 1.00 0.00 C ATOM 0 H PHE A 96 -15.333 5.601 8.997 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.572 7.601 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.525 8.446 9.003 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.597 7.446 9.962 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.866 9.944 10.584 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.739 8.526 11.653 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.069 11.749 12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.944 10.330 13.306 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.109 11.945 13.604 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.902 5.938 11.926 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.206 5.310 13.206 1.00 0.00 C ATOM 1541 C ASN A 97 -16.239 3.790 13.073 1.00 0.00 C ATOM 1542 O ASN A 97 -15.446 3.086 13.697 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.549 5.815 13.739 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.480 7.255 14.208 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -18.256 8.102 13.764 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -16.547 7.540 15.109 1.00 0.00 N ATOM 0 H ASN A 97 -16.689 5.978 11.278 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.418 5.578 13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.304 5.726 12.957 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.870 5.181 14.566 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.452 8.493 15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.925 6.806 15.449 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.160 3.293 12.254 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.295 1.857 12.039 1.00 0.00 C ATOM 1555 C GLU A 98 -17.417 1.539 10.552 1.00 0.00 C ATOM 1556 O GLU A 98 -16.732 0.655 10.036 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.516 1.319 12.789 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.753 2.189 12.641 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.924 1.682 13.460 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.027 2.059 14.646 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.737 0.907 12.915 1.00 0.00 O ATOM 0 H GLU A 98 -17.823 3.863 11.729 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.398 1.372 12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.742 0.316 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.271 1.228 13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.515 3.208 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.040 2.230 11.590 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.296 2.264 9.867 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.510 2.059 8.440 1.00 0.00 C ATOM 1570 C PHE A 99 -17.188 2.106 7.679 1.00 0.00 C ATOM 1571 O PHE A 99 -16.128 2.313 8.269 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.466 3.119 7.888 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.253 4.484 8.479 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.904 4.858 9.643 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.403 5.392 7.869 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.710 6.113 10.189 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.205 6.648 8.411 1.00 0.00 C ATOM 1578 CZ PHE A 99 -18.860 7.009 9.571 1.00 0.00 C ATOM 0 H PHE A 99 -18.872 2.999 10.278 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.953 1.073 8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.346 3.177 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.492 2.806 8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.571 4.161 10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -17.889 5.115 6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.222 6.392 11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.538 7.346 7.927 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.708 7.991 9.995 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.260 1.911 6.366 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.069 1.929 5.525 1.00 0.00 C ATOM 1590 C GLN A 100 -16.411 2.376 4.107 1.00 0.00 C ATOM 1591 O GLN A 100 -17.198 1.731 3.416 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.420 0.545 5.494 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.215 -0.483 4.704 1.00 0.00 C ATOM 1594 CD GLN A 100 -15.879 -1.908 5.097 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -15.212 -2.628 4.354 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -16.341 -2.323 6.271 1.00 0.00 N ATOM 0 H GLN A 100 -18.130 1.739 5.862 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.364 2.643 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.423 0.630 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.296 0.188 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.280 -0.309 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.020 -0.348 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.890 -1.692 6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.147 -3.273 6.589 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.813 3.484 3.681 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.068 3.998 2.348 1.00 0.00 C ATOM 1607 C GLY A 101 -15.825 2.960 1.270 1.00 0.00 C ATOM 1608 O GLY A 101 -15.652 1.778 1.565 1.00 0.00 O ATOM 0 H GLY A 101 -15.157 4.035 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.099 4.346 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.429 4.862 2.167 1.00 0.00 H new ATOM 1612 N MET A 102 -15.812 3.402 0.017 1.00 0.00 N ATOM 1613 CA MET A 102 -15.589 2.502 -1.109 1.00 0.00 C ATOM 1614 C MET A 102 -14.169 1.946 -1.086 1.00 0.00 C ATOM 1615 O MET A 102 -13.237 2.616 -0.642 1.00 0.00 O ATOM 1616 CB MET A 102 -15.844 3.230 -2.430 1.00 0.00 C ATOM 1617 CG MET A 102 -17.317 3.356 -2.780 1.00 0.00 C ATOM 1618 SD MET A 102 -17.588 3.711 -4.527 1.00 0.00 S ATOM 1619 CE MET A 102 -16.813 5.319 -4.670 1.00 0.00 C ATOM 0 H MET A 102 -15.953 4.378 -0.245 1.00 0.00 H new ATOM 0 HA MET A 102 -16.288 1.670 -1.022 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.405 4.226 -2.377 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.332 2.699 -3.233 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.829 2.430 -2.518 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.763 4.148 -2.179 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.568 6.067 -4.912 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.336 5.578 -3.725 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.063 5.292 -5.460 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.012 0.717 -1.567 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.705 0.072 -1.603 1.00 0.00 C ATOM 1631 C ASP A 103 -12.050 0.246 -2.970 1.00 0.00 C ATOM 1632 O ASP A 103 -12.679 0.023 -4.004 1.00 0.00 O ATOM 1633 CB ASP A 103 -12.838 -1.416 -1.274 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.150 -2.001 -1.760 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.211 -1.571 -1.263 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -14.115 -2.890 -2.637 1.00 0.00 O ATOM 0 H ASP A 103 -14.774 0.148 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.072 0.547 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.010 -1.961 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.758 -1.555 -0.196 1.00 0.00 H new ATOM 1641 N SER A 104 -10.783 0.648 -2.966 1.00 0.00 N ATOM 1642 CA SER A 104 -10.044 0.858 -4.205 1.00 0.00 C ATOM 1643 C SER A 104 -9.853 -0.458 -4.953 1.00 0.00 C ATOM 1644 O SER A 104 -10.269 -1.517 -4.484 1.00 0.00 O ATOM 1645 CB SER A 104 -8.683 1.492 -3.911 1.00 0.00 C ATOM 1646 OG SER A 104 -7.930 0.693 -3.015 1.00 0.00 O ATOM 0 H SER A 104 -10.247 0.835 -2.118 1.00 0.00 H new ATOM 0 HA SER A 104 -10.623 1.534 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.130 1.620 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.826 2.485 -3.485 1.00 0.00 H new ATOM 0 HG SER A 104 -8.236 0.852 -2.098 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.220 -0.382 -6.120 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.975 -1.567 -6.934 1.00 0.00 C ATOM 1654 C GLU A 105 -8.056 -2.545 -6.208 1.00 0.00 C ATOM 1655 O GLU A 105 -6.898 -2.235 -5.929 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.358 -1.172 -8.277 1.00 0.00 C ATOM 1657 CG GLU A 105 -6.992 -0.519 -8.150 1.00 0.00 C ATOM 1658 CD GLU A 105 -6.592 0.245 -9.398 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -6.918 -0.223 -10.509 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -5.954 1.310 -9.263 1.00 0.00 O ATOM 0 H GLU A 105 -8.868 0.487 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.932 -2.058 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.270 -2.060 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.033 -0.487 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.996 0.161 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.245 -1.285 -7.943 1.00 0.00 H new ATOM 1667 N SER A 106 -8.582 -3.727 -5.903 1.00 0.00 N ATOM 1668 CA SER A 106 -7.812 -4.750 -5.205 1.00 0.00 C ATOM 1669 C SER A 106 -6.560 -5.121 -5.995 1.00 0.00 C ATOM 1670 O SER A 106 -6.644 -5.698 -7.079 1.00 0.00 O ATOM 1671 CB SER A 106 -8.670 -5.995 -4.973 1.00 0.00 C ATOM 1672 OG SER A 106 -9.974 -5.643 -4.546 1.00 0.00 O ATOM 0 H SER A 106 -9.539 -4.000 -6.128 1.00 0.00 H new ATOM 0 HA SER A 106 -7.505 -4.344 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.730 -6.576 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.198 -6.631 -4.224 1.00 0.00 H new ATOM 0 HG SER A 106 -10.503 -6.456 -4.406 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.399 -4.785 -5.444 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.128 -5.083 -6.094 1.00 0.00 C ATOM 1680 C LYS A 107 -3.477 -6.316 -5.477 1.00 0.00 C ATOM 1681 O LYS A 107 -3.539 -6.524 -4.265 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.183 -3.884 -5.984 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.728 -2.619 -6.623 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.462 -2.590 -8.119 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.542 -1.175 -8.672 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.726 -1.167 -10.150 1.00 0.00 N ATOM 0 H LYS A 107 -5.312 -4.306 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.325 -5.287 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.977 -3.690 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.232 -4.137 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.801 -2.552 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.271 -1.748 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.475 -3.006 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.187 -3.223 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.370 -0.647 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.631 -0.633 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.171 -0.273 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.801 -1.260 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.335 -1.963 -10.428 1.00 0.00 H new ATOM 1700 N THR A 108 -2.850 -7.133 -6.318 1.00 0.00 N ATOM 1701 CA THR A 108 -2.187 -8.345 -5.855 1.00 0.00 C ATOM 1702 C THR A 108 -0.679 -8.145 -5.761 1.00 0.00 C ATOM 1703 O THR A 108 -0.067 -7.535 -6.638 1.00 0.00 O ATOM 1704 CB THR A 108 -2.478 -9.536 -6.788 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.464 -9.104 -8.153 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.826 -10.161 -6.463 1.00 0.00 C ATOM 0 H THR A 108 -2.788 -6.977 -7.324 1.00 0.00 H new ATOM 0 HA THR A 108 -2.584 -8.564 -4.864 1.00 0.00 H new ATOM 0 HB THR A 108 -1.701 -10.286 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.648 -9.867 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.010 -11.000 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.824 -10.515 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.612 -9.417 -6.589 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.084 -8.664 -4.692 1.00 0.00 N ATOM 1715 CA VAL A 109 1.355 -8.543 -4.483 1.00 0.00 C ATOM 1716 C VAL A 109 2.016 -9.915 -4.413 1.00 0.00 C ATOM 1717 O VAL A 109 1.810 -10.667 -3.460 1.00 0.00 O ATOM 1718 CB VAL A 109 1.672 -7.765 -3.192 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.161 -8.521 -1.975 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.166 -7.506 -3.081 1.00 0.00 C ATOM 0 H VAL A 109 -0.576 -9.172 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 109 1.754 -7.993 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 109 1.162 -6.803 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.394 -7.957 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.082 -8.651 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.641 -9.498 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.373 -6.955 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.700 -8.456 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.498 -6.920 -3.938 1.00 0.00 H new ATOM 1730 N ARG A 110 2.813 -10.234 -5.428 1.00 0.00 N ATOM 1731 CA ARG A 110 3.505 -11.516 -5.481 1.00 0.00 C ATOM 1732 C ARG A 110 4.824 -11.454 -4.717 1.00 0.00 C ATOM 1733 O ARG A 110 5.737 -10.717 -5.090 1.00 0.00 O ATOM 1734 CB ARG A 110 3.763 -11.920 -6.934 1.00 0.00 C ATOM 1735 CG ARG A 110 3.874 -13.422 -7.138 1.00 0.00 C ATOM 1736 CD ARG A 110 4.138 -13.769 -8.595 1.00 0.00 C ATOM 1737 NE ARG A 110 4.855 -15.033 -8.736 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.969 -15.689 -9.886 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.417 -15.202 -10.988 1.00 0.00 N ATOM 1740 NH2 ARG A 110 5.638 -16.834 -9.934 1.00 0.00 N ATOM 0 H ARG A 110 2.995 -9.623 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 110 2.868 -12.265 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.956 -11.536 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.683 -11.446 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.679 -13.816 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.953 -13.904 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.191 -13.828 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.717 -12.970 -9.059 1.00 0.00 H new ATOM 0 HE ARG A 110 5.292 -15.434 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.903 -14.322 -10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.506 -15.708 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.065 -17.211 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.725 -17.337 -10.817 1.00 0.00 H new ATOM 1754 N THR A 111 4.918 -12.234 -3.644 1.00 0.00 N ATOM 1755 CA THR A 111 6.124 -12.267 -2.827 1.00 0.00 C ATOM 1756 C THR A 111 7.139 -13.259 -3.383 1.00 0.00 C ATOM 1757 O THR A 111 6.989 -14.471 -3.227 1.00 0.00 O ATOM 1758 CB THR A 111 5.803 -12.643 -1.368 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.084 -13.880 -1.327 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.983 -11.551 -0.696 1.00 0.00 C ATOM 0 H THR A 111 4.173 -12.851 -3.321 1.00 0.00 H new ATOM 0 HA THR A 111 6.550 -11.264 -2.852 1.00 0.00 H new ATOM 0 HB THR A 111 6.744 -12.753 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.195 -13.755 -1.721 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.768 -11.838 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.546 -10.618 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.047 -11.414 -1.237 1.00 0.00 H new ATOM 1768 N THR A 112 8.174 -12.737 -4.034 1.00 0.00 N ATOM 1769 CA THR A 112 9.214 -13.577 -4.615 1.00 0.00 C ATOM 1770 C THR A 112 9.770 -14.554 -3.586 1.00 0.00 C ATOM 1771 O THR A 112 9.388 -14.521 -2.416 1.00 0.00 O ATOM 1772 CB THR A 112 10.371 -12.729 -5.178 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.271 -13.561 -5.919 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.124 -12.029 -4.058 1.00 0.00 C ATOM 0 H THR A 112 8.314 -11.736 -4.172 1.00 0.00 H new ATOM 0 HA THR A 112 8.752 -14.135 -5.429 1.00 0.00 H new ATOM 0 HB THR A 112 9.950 -11.971 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.987 -13.596 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.936 -11.437 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.442 -11.375 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.535 -12.773 -3.375 1.00 0.00 H new ATOM 1782 N GLU A 113 10.673 -15.423 -4.029 1.00 0.00 N ATOM 1783 CA GLU A 113 11.281 -16.410 -3.144 1.00 0.00 C ATOM 1784 C GLU A 113 12.803 -16.305 -3.175 1.00 0.00 C ATOM 1785 O GLU A 113 13.450 -16.212 -2.133 1.00 0.00 O ATOM 1786 CB GLU A 113 10.848 -17.822 -3.545 1.00 0.00 C ATOM 1787 CG GLU A 113 9.341 -17.990 -3.649 1.00 0.00 C ATOM 1788 CD GLU A 113 8.810 -17.649 -5.027 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.848 -18.530 -5.912 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.356 -16.503 -5.222 1.00 0.00 O ATOM 0 H GLU A 113 11.000 -15.464 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 113 10.941 -16.208 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.300 -18.073 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.235 -18.533 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.076 -19.019 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.856 -17.353 -2.909 1.00 0.00 H new ATOM 1797 N GLU A 114 13.367 -16.321 -4.379 1.00 0.00 N ATOM 1798 CA GLU A 114 14.812 -16.229 -4.546 1.00 0.00 C ATOM 1799 C GLU A 114 15.180 -15.078 -5.477 1.00 0.00 C ATOM 1800 O GLU A 114 16.084 -15.198 -6.304 1.00 0.00 O ATOM 1801 CB GLU A 114 15.369 -17.543 -5.097 1.00 0.00 C ATOM 1802 CG GLU A 114 16.793 -17.834 -4.654 1.00 0.00 C ATOM 1803 CD GLU A 114 17.207 -19.268 -4.925 1.00 0.00 C ATOM 1804 OE1 GLU A 114 17.614 -19.561 -6.069 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.124 -20.096 -3.994 1.00 0.00 O ATOM 0 H GLU A 114 12.845 -16.397 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 114 15.253 -16.038 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.724 -18.363 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.335 -17.514 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.475 -17.159 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.887 -17.628 -3.588 1.00 0.00 H new ATOM 1812 N SER A 115 14.472 -13.961 -5.337 1.00 0.00 N ATOM 1813 CA SER A 115 14.720 -12.789 -6.168 1.00 0.00 C ATOM 1814 C SER A 115 14.400 -11.506 -5.408 1.00 0.00 C ATOM 1815 O SER A 115 13.929 -11.546 -4.272 1.00 0.00 O ATOM 1816 CB SER A 115 13.885 -12.859 -7.448 1.00 0.00 C ATOM 1817 OG SER A 115 14.452 -12.059 -8.471 1.00 0.00 O ATOM 0 H SER A 115 13.722 -13.844 -4.656 1.00 0.00 H new ATOM 0 HA SER A 115 15.777 -12.779 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.818 -13.893 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.868 -12.524 -7.242 1.00 0.00 H new ATOM 0 HG SER A 115 13.901 -12.122 -9.279 1.00 0.00 H new ATOM 1823 N GLY A 116 14.658 -10.368 -6.044 1.00 0.00 N ATOM 1824 CA GLY A 116 14.391 -9.088 -5.414 1.00 0.00 C ATOM 1825 C GLY A 116 15.591 -8.163 -5.450 1.00 0.00 C ATOM 1826 O GLY A 116 16.666 -8.485 -4.945 1.00 0.00 O ATOM 0 H GLY A 116 15.047 -10.309 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.551 -8.608 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.093 -9.251 -4.378 1.00 0.00 H new ATOM 1830 N PRO A 117 15.414 -6.982 -6.061 1.00 0.00 N ATOM 1831 CA PRO A 117 16.480 -5.983 -6.176 1.00 0.00 C ATOM 1832 C PRO A 117 16.828 -5.347 -4.834 1.00 0.00 C ATOM 1833 O PRO A 117 15.948 -5.088 -4.013 1.00 0.00 O ATOM 1834 CB PRO A 117 15.886 -4.938 -7.125 1.00 0.00 C ATOM 1835 CG PRO A 117 14.412 -5.074 -6.963 1.00 0.00 C ATOM 1836 CD PRO A 117 14.159 -6.530 -6.685 1.00 0.00 C ATOM 0 HA PRO A 117 17.412 -6.422 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.222 -3.933 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 117 16.190 -5.121 -8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 117 14.050 -4.452 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.889 -4.752 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.307 -6.670 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.944 -7.082 -7.600 1.00 0.00 H new ATOM 1844 N SER A 118 18.116 -5.098 -4.619 1.00 0.00 N ATOM 1845 CA SER A 118 18.579 -4.496 -3.374 1.00 0.00 C ATOM 1846 C SER A 118 18.962 -3.035 -3.587 1.00 0.00 C ATOM 1847 O SER A 118 20.085 -2.728 -3.987 1.00 0.00 O ATOM 1848 CB SER A 118 19.776 -5.273 -2.822 1.00 0.00 C ATOM 1849 OG SER A 118 19.421 -6.613 -2.525 1.00 0.00 O ATOM 0 H SER A 118 18.856 -5.303 -5.290 1.00 0.00 H new ATOM 0 HA SER A 118 17.763 -4.538 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.588 -5.261 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 118 20.147 -4.784 -1.922 1.00 0.00 H new ATOM 0 HG SER A 118 20.203 -7.089 -2.176 1.00 0.00 H new ATOM 1855 N SER A 119 18.019 -2.137 -3.318 1.00 0.00 N ATOM 1856 CA SER A 119 18.255 -0.708 -3.483 1.00 0.00 C ATOM 1857 C SER A 119 19.176 -0.179 -2.389 1.00 0.00 C ATOM 1858 O SER A 119 19.283 -0.767 -1.314 1.00 0.00 O ATOM 1859 CB SER A 119 16.929 0.055 -3.462 1.00 0.00 C ATOM 1860 OG SER A 119 17.115 1.411 -3.829 1.00 0.00 O ATOM 0 H SER A 119 17.085 -2.374 -2.985 1.00 0.00 H new ATOM 0 HA SER A 119 18.740 -0.554 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.224 -0.417 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.491 0.002 -2.465 1.00 0.00 H new ATOM 0 HG SER A 119 16.253 1.876 -3.810 1.00 0.00 H new ATOM 1866 N GLY A 120 19.841 0.938 -2.671 1.00 0.00 N ATOM 1867 CA GLY A 120 20.745 1.529 -1.702 1.00 0.00 C ATOM 1868 C GLY A 120 20.147 1.585 -0.310 1.00 0.00 C ATOM 1869 O GLY A 120 19.044 2.097 -0.122 1.00 0.00 O ATOM 0 H GLY A 120 19.769 1.444 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.670 0.953 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.007 2.537 -2.022 1.00 0.00 H new TER 1873 GLY A 120