USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 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 139:sc= 0.4 USER MOD Set 1.2: A 65 GLN : amide:sc= -2.33! C(o=-1.9!,f=-2.4!) USER MOD Set 2.1: A 54 GLN : amide:sc= 1.09 K(o=2.8,f=-1.3) USER MOD Set 2.2: A 88 TYR OH : rot -73:sc= 1.74 USER MOD Set 3.1: A 33 GLN : amide:sc= -0.762 X(o=-0.16,f=-0.15!) USER MOD Set 3.2: A 35 THR OG1 : rot 71:sc= 0.603 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.714 USER MOD Single : A 6 SER OG : rot 30:sc= 0.478 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 11 GLN : amide:sc= -0.0772 K(o=-0.077,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0397 (180deg=-0.281) USER MOD Single : A 22 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : A 23 ASN : amide:sc= -0.639 K(o=-0.64,f=-2.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.21 K(o=-3.2,f=-5.2!) USER MOD Single : A 43 GLN : amide:sc= -0.491 K(o=-0.49,f=-3.2!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -106:sc= -0.687 (180deg=-1.96) USER MOD Single : A 55 THR OG1 : rot -74:sc= -0.343 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.268 F(o=-0.82,f=-0.27) USER MOD Single : A 61 THR OG1 : rot -58:sc= 0.72 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 25:sc= 0.587 USER MOD Single : A 66 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.42) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 0.189 (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 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 100 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.6) USER MOD Single : A 102 MET CE :methyl 168:sc= 0 (180deg=-0.135) USER MOD Single : A 104 SER OG : rot 49:sc= 1.11 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 111 THR OG1 : rot -83:sc= 1.48 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.204 23.043 15.588 1.00 0.00 N ATOM 2 CA GLY A 1 -10.464 22.559 15.056 1.00 0.00 C ATOM 3 C GLY A 1 -10.840 21.196 15.603 1.00 0.00 C ATOM 4 O GLY A 1 -11.272 20.318 14.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.967 23.954 15.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.287 23.169 16.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.453 22.353 15.384 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.253 23.273 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.399 22.506 13.969 1.00 0.00 H new ATOM 8 N SER A 2 -10.673 21.018 16.909 1.00 0.00 N ATOM 9 CA SER A 2 -10.992 19.750 17.555 1.00 0.00 C ATOM 10 C SER A 2 -12.326 19.206 17.053 1.00 0.00 C ATOM 11 O SER A 2 -13.382 19.781 17.316 1.00 0.00 O ATOM 12 CB SER A 2 -11.039 19.925 19.074 1.00 0.00 C ATOM 13 OG SER A 2 -11.630 18.799 19.699 1.00 0.00 O ATOM 0 H SER A 2 -10.319 21.736 17.541 1.00 0.00 H new ATOM 0 HA SER A 2 -10.209 19.035 17.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.029 20.070 19.458 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.606 20.822 19.322 1.00 0.00 H new ATOM 0 HG SER A 2 -11.647 18.935 20.669 1.00 0.00 H new ATOM 19 N SER A 3 -12.269 18.093 16.329 1.00 0.00 N ATOM 20 CA SER A 3 -13.471 17.471 15.786 1.00 0.00 C ATOM 21 C SER A 3 -14.321 16.868 16.900 1.00 0.00 C ATOM 22 O SER A 3 -13.879 15.970 17.615 1.00 0.00 O ATOM 23 CB SER A 3 -13.097 16.390 14.770 1.00 0.00 C ATOM 24 OG SER A 3 -12.288 16.920 13.735 1.00 0.00 O ATOM 0 H SER A 3 -11.403 17.603 16.105 1.00 0.00 H new ATOM 0 HA SER A 3 -14.055 18.243 15.285 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.566 15.582 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.003 15.959 14.343 1.00 0.00 H new ATOM 0 HG SER A 3 -12.062 16.209 13.100 1.00 0.00 H new ATOM 30 N GLY A 4 -15.544 17.369 17.040 1.00 0.00 N ATOM 31 CA GLY A 4 -16.438 16.868 18.068 1.00 0.00 C ATOM 32 C GLY A 4 -17.769 16.408 17.506 1.00 0.00 C ATOM 33 O GLY A 4 -17.836 15.407 16.794 1.00 0.00 O ATOM 0 H GLY A 4 -15.932 18.113 16.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.960 16.037 18.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.610 17.650 18.808 1.00 0.00 H new ATOM 37 N SER A 5 -18.830 17.140 17.829 1.00 0.00 N ATOM 38 CA SER A 5 -20.167 16.799 17.357 1.00 0.00 C ATOM 39 C SER A 5 -20.333 17.168 15.886 1.00 0.00 C ATOM 40 O SER A 5 -20.849 18.237 15.557 1.00 0.00 O ATOM 41 CB SER A 5 -21.226 17.514 18.197 1.00 0.00 C ATOM 42 OG SER A 5 -21.048 18.919 18.153 1.00 0.00 O ATOM 0 H SER A 5 -18.790 17.973 18.416 1.00 0.00 H new ATOM 0 HA SER A 5 -20.299 15.722 17.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.220 17.258 17.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.170 17.169 19.229 1.00 0.00 H new ATOM 0 HG SER A 5 -20.894 19.200 17.227 1.00 0.00 H new ATOM 48 N SER A 6 -19.893 16.276 15.004 1.00 0.00 N ATOM 49 CA SER A 6 -19.989 16.508 13.568 1.00 0.00 C ATOM 50 C SER A 6 -19.995 15.188 12.803 1.00 0.00 C ATOM 51 O SER A 6 -19.760 14.125 13.376 1.00 0.00 O ATOM 52 CB SER A 6 -18.827 17.381 13.092 1.00 0.00 C ATOM 53 OG SER A 6 -19.126 18.758 13.247 1.00 0.00 O ATOM 0 H SER A 6 -19.466 15.385 15.259 1.00 0.00 H new ATOM 0 HA SER A 6 -20.928 17.026 13.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.928 17.135 13.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.613 17.168 12.045 1.00 0.00 H new ATOM 0 HG SER A 6 -19.733 18.877 14.007 1.00 0.00 H new ATOM 59 N GLY A 7 -20.266 15.265 11.504 1.00 0.00 N ATOM 60 CA GLY A 7 -20.297 14.070 10.680 1.00 0.00 C ATOM 61 C GLY A 7 -21.620 13.897 9.961 1.00 0.00 C ATOM 62 O GLY A 7 -22.229 12.829 10.015 1.00 0.00 O ATOM 0 H GLY A 7 -20.465 16.133 11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.492 14.117 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.109 13.197 11.304 1.00 0.00 H new ATOM 66 N ARG A 8 -22.067 14.951 9.286 1.00 0.00 N ATOM 67 CA ARG A 8 -23.328 14.912 8.555 1.00 0.00 C ATOM 68 C ARG A 8 -23.098 14.537 7.094 1.00 0.00 C ATOM 69 O ARG A 8 -23.795 13.685 6.545 1.00 0.00 O ATOM 70 CB ARG A 8 -24.034 16.267 8.640 1.00 0.00 C ATOM 71 CG ARG A 8 -24.655 16.546 9.999 1.00 0.00 C ATOM 72 CD ARG A 8 -25.431 17.853 9.998 1.00 0.00 C ATOM 73 NE ARG A 8 -24.586 18.992 9.648 1.00 0.00 N ATOM 74 CZ ARG A 8 -24.901 20.253 9.923 1.00 0.00 C ATOM 75 NH1 ARG A 8 -26.035 20.535 10.549 1.00 0.00 N ATOM 76 NH2 ARG A 8 -24.080 21.234 9.572 1.00 0.00 N ATOM 0 H ARG A 8 -21.575 15.843 9.230 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.961 14.151 9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.318 17.055 8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.813 16.310 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.320 15.727 10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.872 16.587 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.257 17.783 9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.868 18.015 10.983 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.706 18.809 9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.668 19.783 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.274 21.504 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.206 21.020 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -24.322 22.202 9.783 1.00 0.00 H new ATOM 90 N GLN A 9 -22.115 15.180 6.471 1.00 0.00 N ATOM 91 CA GLN A 9 -21.794 14.914 5.074 1.00 0.00 C ATOM 92 C GLN A 9 -20.864 13.712 4.948 1.00 0.00 C ATOM 93 O GLN A 9 -20.232 13.509 3.911 1.00 0.00 O ATOM 94 CB GLN A 9 -21.148 16.144 4.434 1.00 0.00 C ATOM 95 CG GLN A 9 -21.099 16.085 2.916 1.00 0.00 C ATOM 96 CD GLN A 9 -20.818 17.437 2.288 1.00 0.00 C ATOM 97 OE1 GLN A 9 -21.626 18.360 2.388 1.00 0.00 O ATOM 98 NE2 GLN A 9 -19.667 17.559 1.637 1.00 0.00 N ATOM 0 H GLN A 9 -21.528 15.888 6.912 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.723 14.687 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.701 17.033 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.134 16.253 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.328 15.378 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -22.049 15.704 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.027 16.767 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.423 18.445 1.194 1.00 0.00 H new ATOM 107 N VAL A 10 -20.784 12.918 6.010 1.00 0.00 N ATOM 108 CA VAL A 10 -19.932 11.735 6.019 1.00 0.00 C ATOM 109 C VAL A 10 -20.450 10.677 5.052 1.00 0.00 C ATOM 110 O VAL A 10 -19.678 10.061 4.318 1.00 0.00 O ATOM 111 CB VAL A 10 -19.835 11.123 7.429 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.191 10.599 7.878 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.791 10.017 7.458 1.00 0.00 C ATOM 0 H VAL A 10 -21.299 13.073 6.877 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.940 12.058 5.702 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.525 11.903 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.103 10.170 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.910 11.418 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.533 9.832 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.735 9.595 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.069 9.235 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.819 10.427 7.182 1.00 0.00 H new ATOM 123 N GLN A 11 -21.763 10.472 5.056 1.00 0.00 N ATOM 124 CA GLN A 11 -22.385 9.487 4.179 1.00 0.00 C ATOM 125 C GLN A 11 -22.352 9.953 2.727 1.00 0.00 C ATOM 126 O GLN A 11 -22.636 9.183 1.809 1.00 0.00 O ATOM 127 CB GLN A 11 -23.830 9.228 4.610 1.00 0.00 C ATOM 128 CG GLN A 11 -23.963 8.151 5.674 1.00 0.00 C ATOM 129 CD GLN A 11 -25.302 8.194 6.384 1.00 0.00 C ATOM 130 OE1 GLN A 11 -26.089 9.122 6.193 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.568 7.188 7.208 1.00 0.00 N ATOM 0 H GLN A 11 -22.417 10.975 5.657 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.818 8.559 4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.260 10.156 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.415 8.939 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.832 7.172 5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.164 8.268 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.887 6.440 7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.454 7.163 7.713 1.00 0.00 H new ATOM 140 N LYS A 12 -22.002 11.219 2.525 1.00 0.00 N ATOM 141 CA LYS A 12 -21.930 11.790 1.185 1.00 0.00 C ATOM 142 C LYS A 12 -20.502 11.746 0.652 1.00 0.00 C ATOM 143 O LYS A 12 -20.273 11.394 -0.505 1.00 0.00 O ATOM 144 CB LYS A 12 -22.438 13.233 1.195 1.00 0.00 C ATOM 145 CG LYS A 12 -22.600 13.830 -0.192 1.00 0.00 C ATOM 146 CD LYS A 12 -21.280 14.353 -0.732 1.00 0.00 C ATOM 147 CE LYS A 12 -21.496 15.387 -1.826 1.00 0.00 C ATOM 148 NZ LYS A 12 -22.059 16.656 -1.287 1.00 0.00 N ATOM 0 H LYS A 12 -21.763 11.870 3.273 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.563 11.194 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.398 13.268 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.745 13.849 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.998 13.075 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.327 14.641 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.703 14.796 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.692 13.523 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.548 15.593 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.171 14.982 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.866 17.432 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.086 16.554 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.618 16.869 -0.370 1.00 0.00 H new ATOM 162 N GLU A 13 -19.545 12.103 1.503 1.00 0.00 N ATOM 163 CA GLU A 13 -18.139 12.104 1.115 1.00 0.00 C ATOM 164 C GLU A 13 -17.585 10.682 1.079 1.00 0.00 C ATOM 165 O GLU A 13 -16.932 10.283 0.114 1.00 0.00 O ATOM 166 CB GLU A 13 -17.320 12.958 2.085 1.00 0.00 C ATOM 167 CG GLU A 13 -15.829 12.672 2.037 1.00 0.00 C ATOM 168 CD GLU A 13 -15.192 13.113 0.733 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.601 12.602 -0.330 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.285 13.971 0.777 1.00 0.00 O ATOM 0 H GLU A 13 -19.717 12.395 2.465 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.064 12.531 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.487 14.011 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.681 12.789 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.338 13.181 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.663 11.604 2.175 1.00 0.00 H new ATOM 177 N LEU A 14 -17.849 9.923 2.136 1.00 0.00 N ATOM 178 CA LEU A 14 -17.377 8.546 2.227 1.00 0.00 C ATOM 179 C LEU A 14 -17.321 7.898 0.847 1.00 0.00 C ATOM 180 O LEU A 14 -16.243 7.619 0.324 1.00 0.00 O ATOM 181 CB LEU A 14 -18.288 7.733 3.148 1.00 0.00 C ATOM 182 CG LEU A 14 -18.058 6.222 3.156 1.00 0.00 C ATOM 183 CD1 LEU A 14 -17.012 5.846 4.194 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.363 5.485 3.421 1.00 0.00 C ATOM 0 H LEU A 14 -18.388 10.238 2.943 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.370 8.560 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.167 8.104 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.323 7.921 2.861 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.689 5.925 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.862 4.766 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.072 6.345 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.352 6.157 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.180 4.410 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.761 5.787 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.084 5.729 2.640 1.00 0.00 H new ATOM 196 N GLY A 15 -18.491 7.662 0.262 1.00 0.00 N ATOM 197 CA GLY A 15 -18.553 7.051 -1.053 1.00 0.00 C ATOM 198 C GLY A 15 -17.871 7.890 -2.115 1.00 0.00 C ATOM 199 O GLY A 15 -17.016 7.396 -2.851 1.00 0.00 O ATOM 0 H GLY A 15 -19.397 7.883 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.085 6.067 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.596 6.897 -1.330 1.00 0.00 H new ATOM 203 N ASP A 16 -18.250 9.160 -2.198 1.00 0.00 N ATOM 204 CA ASP A 16 -17.669 10.069 -3.179 1.00 0.00 C ATOM 205 C ASP A 16 -16.173 9.815 -3.336 1.00 0.00 C ATOM 206 O ASP A 16 -15.708 9.428 -4.408 1.00 0.00 O ATOM 207 CB ASP A 16 -17.912 11.522 -2.766 1.00 0.00 C ATOM 208 CG ASP A 16 -17.229 12.509 -3.692 1.00 0.00 C ATOM 209 OD1 ASP A 16 -15.991 12.429 -3.835 1.00 0.00 O ATOM 210 OD2 ASP A 16 -17.933 13.362 -4.273 1.00 0.00 O ATOM 0 H ASP A 16 -18.957 9.584 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.153 9.886 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.984 11.719 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.551 11.673 -1.749 1.00 0.00 H new ATOM 215 N VAL A 17 -15.424 10.037 -2.260 1.00 0.00 N ATOM 216 CA VAL A 17 -13.980 9.833 -2.279 1.00 0.00 C ATOM 217 C VAL A 17 -13.602 8.665 -3.183 1.00 0.00 C ATOM 218 O VAL A 17 -14.063 7.540 -2.987 1.00 0.00 O ATOM 219 CB VAL A 17 -13.433 9.571 -0.863 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.934 9.315 -0.909 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.754 10.738 0.057 1.00 0.00 C ATOM 0 H VAL A 17 -15.793 10.358 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.535 10.748 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.918 8.680 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.565 9.132 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.733 8.444 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.429 10.185 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.360 10.535 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.298 11.647 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.835 10.870 0.114 1.00 0.00 H new ATOM 231 N LEU A 18 -12.760 8.939 -4.173 1.00 0.00 N ATOM 232 CA LEU A 18 -12.318 7.910 -5.108 1.00 0.00 C ATOM 233 C LEU A 18 -10.874 7.507 -4.831 1.00 0.00 C ATOM 234 O LEU A 18 -9.953 7.943 -5.522 1.00 0.00 O ATOM 235 CB LEU A 18 -12.453 8.411 -6.548 1.00 0.00 C ATOM 236 CG LEU A 18 -12.737 7.343 -7.605 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.329 7.975 -8.856 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.468 6.576 -7.943 1.00 0.00 C ATOM 0 H LEU A 18 -12.370 9.865 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.952 7.034 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.254 9.149 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.532 8.927 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.464 6.641 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.525 7.200 -9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.262 8.479 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.625 8.700 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.689 5.820 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.718 7.266 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.086 6.091 -7.045 1.00 0.00 H new ATOM 250 N VAL A 19 -10.683 6.668 -3.817 1.00 0.00 N ATOM 251 CA VAL A 19 -9.351 6.202 -3.451 1.00 0.00 C ATOM 252 C VAL A 19 -8.694 5.453 -4.605 1.00 0.00 C ATOM 253 O VAL A 19 -9.320 4.609 -5.246 1.00 0.00 O ATOM 254 CB VAL A 19 -9.399 5.282 -2.216 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.995 4.852 -1.817 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.101 5.978 -1.060 1.00 0.00 C ATOM 0 H VAL A 19 -11.434 6.297 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.760 7.086 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.969 4.389 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.048 4.203 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.531 4.312 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.399 5.733 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.126 5.314 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.561 6.889 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.120 6.231 -1.352 1.00 0.00 H new ATOM 266 N ARG A 20 -7.429 5.768 -4.863 1.00 0.00 N ATOM 267 CA ARG A 20 -6.686 5.125 -5.940 1.00 0.00 C ATOM 268 C ARG A 20 -5.519 4.313 -5.387 1.00 0.00 C ATOM 269 O ARG A 20 -4.546 4.871 -4.879 1.00 0.00 O ATOM 270 CB ARG A 20 -6.170 6.173 -6.928 1.00 0.00 C ATOM 271 CG ARG A 20 -5.214 5.610 -7.968 1.00 0.00 C ATOM 272 CD ARG A 20 -5.963 5.055 -9.169 1.00 0.00 C ATOM 273 NE ARG A 20 -6.819 6.060 -9.794 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.590 5.816 -10.848 1.00 0.00 C ATOM 275 NH1 ARG A 20 -7.612 4.607 -11.392 1.00 0.00 N ATOM 276 NH2 ARG A 20 -8.341 6.783 -11.360 1.00 0.00 N ATOM 0 H ARG A 20 -6.897 6.465 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.363 4.447 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.019 6.630 -7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.666 6.965 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.528 6.392 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.609 4.822 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.247 4.682 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.570 4.206 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.825 7.001 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.036 3.861 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.205 4.423 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.326 7.714 -10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.933 6.595 -12.169 1.00 0.00 H new ATOM 290 N LEU A 21 -5.624 2.992 -5.488 1.00 0.00 N ATOM 291 CA LEU A 21 -4.577 2.102 -4.997 1.00 0.00 C ATOM 292 C LEU A 21 -3.557 1.806 -6.092 1.00 0.00 C ATOM 293 O LEU A 21 -3.915 1.370 -7.187 1.00 0.00 O ATOM 294 CB LEU A 21 -5.189 0.797 -4.487 1.00 0.00 C ATOM 295 CG LEU A 21 -4.213 -0.204 -3.867 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.303 0.488 -2.864 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.969 -1.346 -3.204 1.00 0.00 C ATOM 0 H LEU A 21 -6.423 2.514 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.065 2.601 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.949 1.041 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.700 0.310 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.594 -0.618 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.616 -0.240 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.735 1.270 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.906 0.931 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.258 -2.048 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.614 -0.949 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.577 -1.860 -3.948 1.00 0.00 H new ATOM 309 N HIS A 22 -2.285 2.043 -5.789 1.00 0.00 N ATOM 310 CA HIS A 22 -1.212 1.799 -6.746 1.00 0.00 C ATOM 311 C HIS A 22 -0.610 0.412 -6.544 1.00 0.00 C ATOM 312 O HIS A 22 -0.817 -0.221 -5.510 1.00 0.00 O ATOM 313 CB HIS A 22 -0.125 2.865 -6.609 1.00 0.00 C ATOM 314 CG HIS A 22 -0.644 4.266 -6.708 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.134 5.197 -7.589 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.635 4.893 -6.033 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.788 6.336 -7.449 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.705 6.178 -6.511 1.00 0.00 N ATOM 0 H HIS A 22 -1.972 2.404 -4.888 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.635 1.850 -7.749 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.377 2.739 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.625 2.709 -7.384 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.629 5.032 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.256 4.462 -5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.604 7.243 -8.007 1.00 0.00 H new ATOM 327 N ASN A 23 0.137 -0.055 -7.541 1.00 0.00 N ATOM 328 CA ASN A 23 0.768 -1.368 -7.473 1.00 0.00 C ATOM 329 C ASN A 23 1.605 -1.504 -6.204 1.00 0.00 C ATOM 330 O ASN A 23 2.533 -0.733 -5.957 1.00 0.00 O ATOM 331 CB ASN A 23 1.647 -1.598 -8.704 1.00 0.00 C ATOM 332 CG ASN A 23 1.783 -3.069 -9.050 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.851 -3.851 -8.861 1.00 0.00 O ATOM 334 ND2 ASN A 23 2.948 -3.451 -9.559 1.00 0.00 N ATOM 0 H ASN A 23 0.319 0.457 -8.404 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.019 -2.122 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.223 -1.065 -9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.636 -1.177 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.099 -4.428 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.692 -2.768 -9.698 1.00 0.00 H new ATOM 341 N PRO A 24 1.271 -2.508 -5.380 1.00 0.00 N ATOM 342 CA PRO A 24 1.980 -2.770 -4.124 1.00 0.00 C ATOM 343 C PRO A 24 3.392 -3.298 -4.354 1.00 0.00 C ATOM 344 O PRO A 24 3.588 -4.487 -4.608 1.00 0.00 O ATOM 345 CB PRO A 24 1.115 -3.835 -3.445 1.00 0.00 C ATOM 346 CG PRO A 24 0.407 -4.518 -4.563 1.00 0.00 C ATOM 347 CD PRO A 24 0.177 -3.466 -5.612 1.00 0.00 C ATOM 0 HA PRO A 24 2.109 -1.864 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.725 -4.536 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.410 -3.385 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.004 -5.340 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.537 -4.944 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.217 -3.886 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.800 -2.995 -5.501 1.00 0.00 H new ATOM 355 N VAL A 25 4.374 -2.407 -4.264 1.00 0.00 N ATOM 356 CA VAL A 25 5.769 -2.783 -4.461 1.00 0.00 C ATOM 357 C VAL A 25 6.207 -3.825 -3.437 1.00 0.00 C ATOM 358 O VAL A 25 6.269 -3.546 -2.240 1.00 0.00 O ATOM 359 CB VAL A 25 6.700 -1.560 -4.362 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.147 -1.970 -4.589 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.279 -0.489 -5.358 1.00 0.00 C ATOM 0 H VAL A 25 4.229 -1.419 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 25 5.844 -3.207 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 25 6.619 -1.144 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.790 -1.093 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.441 -2.700 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.249 -2.412 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.947 0.368 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.330 -0.892 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.257 -0.175 -5.144 1.00 0.00 H new ATOM 371 N VAL A 26 6.509 -5.027 -3.917 1.00 0.00 N ATOM 372 CA VAL A 26 6.943 -6.111 -3.044 1.00 0.00 C ATOM 373 C VAL A 26 8.400 -5.935 -2.632 1.00 0.00 C ATOM 374 O VAL A 26 9.315 -6.321 -3.362 1.00 0.00 O ATOM 375 CB VAL A 26 6.776 -7.482 -3.726 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.366 -7.457 -5.128 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.420 -8.576 -2.888 1.00 0.00 C ATOM 0 H VAL A 26 6.461 -5.275 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 26 6.311 -6.075 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 26 5.711 -7.699 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.239 -8.434 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.855 -6.701 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.428 -7.218 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.292 -9.538 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.483 -8.366 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.946 -8.609 -1.907 1.00 0.00 H new ATOM 387 N LEU A 27 8.611 -5.351 -1.458 1.00 0.00 N ATOM 388 CA LEU A 27 9.958 -5.124 -0.947 1.00 0.00 C ATOM 389 C LEU A 27 10.613 -6.438 -0.534 1.00 0.00 C ATOM 390 O LEU A 27 11.760 -6.712 -0.888 1.00 0.00 O ATOM 391 CB LEU A 27 9.918 -4.164 0.244 1.00 0.00 C ATOM 392 CG LEU A 27 9.255 -2.810 -0.008 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.114 -2.035 1.293 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.051 -2.007 -1.025 1.00 0.00 C ATOM 0 H LEU A 27 7.866 -5.026 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 27 10.552 -4.679 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.394 -4.656 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.941 -3.989 0.578 1.00 0.00 H new ATOM 0 HG LEU A 27 8.258 -2.985 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.640 -1.074 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.501 -2.605 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.100 -1.870 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.564 -1.046 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.060 -1.842 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.100 -2.557 -1.965 1.00 0.00 H new ATOM 406 N THR A 28 9.875 -7.250 0.217 1.00 0.00 N ATOM 407 CA THR A 28 10.383 -8.537 0.678 1.00 0.00 C ATOM 408 C THR A 28 9.274 -9.582 0.720 1.00 0.00 C ATOM 409 O THR A 28 8.086 -9.261 0.762 1.00 0.00 O ATOM 410 CB THR A 28 11.017 -8.422 2.077 1.00 0.00 C ATOM 411 OG1 THR A 28 10.374 -7.382 2.823 1.00 0.00 O ATOM 412 CG2 THR A 28 12.507 -8.131 1.973 1.00 0.00 C ATOM 0 H THR A 28 8.924 -7.039 0.519 1.00 0.00 H new ATOM 0 HA THR A 28 11.147 -8.849 -0.034 1.00 0.00 H new ATOM 0 HB THR A 28 10.883 -9.373 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.782 -7.317 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.933 -8.054 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.998 -8.938 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.658 -7.192 1.441 1.00 0.00 H new ATOM 420 N PRO A 29 9.668 -10.864 0.708 1.00 0.00 N ATOM 421 CA PRO A 29 8.722 -11.983 0.745 1.00 0.00 C ATOM 422 C PRO A 29 8.024 -12.108 2.095 1.00 0.00 C ATOM 423 O PRO A 29 7.230 -13.023 2.314 1.00 0.00 O ATOM 424 CB PRO A 29 9.607 -13.205 0.486 1.00 0.00 C ATOM 425 CG PRO A 29 10.964 -12.793 0.942 1.00 0.00 C ATOM 426 CD PRO A 29 11.067 -11.320 0.658 1.00 0.00 C ATOM 0 HA PRO A 29 7.918 -11.860 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.251 -14.075 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.609 -13.476 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.097 -12.996 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.739 -13.348 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.683 -10.810 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.517 -11.129 -0.316 1.00 0.00 H new ATOM 434 N THR A 30 8.326 -11.182 3.000 1.00 0.00 N ATOM 435 CA THR A 30 7.728 -11.188 4.329 1.00 0.00 C ATOM 436 C THR A 30 7.037 -9.863 4.628 1.00 0.00 C ATOM 437 O THR A 30 6.270 -9.752 5.585 1.00 0.00 O ATOM 438 CB THR A 30 8.783 -11.461 5.418 1.00 0.00 C ATOM 439 OG1 THR A 30 9.813 -10.468 5.361 1.00 0.00 O ATOM 440 CG2 THR A 30 9.394 -12.843 5.245 1.00 0.00 C ATOM 0 H THR A 30 8.982 -10.418 2.836 1.00 0.00 H new ATOM 0 HA THR A 30 6.989 -11.990 4.339 1.00 0.00 H new ATOM 0 HB THR A 30 8.290 -11.418 6.389 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.479 -10.647 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.136 -13.013 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.612 -13.598 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.873 -12.909 4.268 1.00 0.00 H new ATOM 448 N THR A 31 7.311 -8.858 3.802 1.00 0.00 N ATOM 449 CA THR A 31 6.716 -7.540 3.978 1.00 0.00 C ATOM 450 C THR A 31 6.525 -6.839 2.637 1.00 0.00 C ATOM 451 O THR A 31 7.368 -6.941 1.746 1.00 0.00 O ATOM 452 CB THR A 31 7.581 -6.650 4.890 1.00 0.00 C ATOM 453 OG1 THR A 31 8.099 -7.423 5.979 1.00 0.00 O ATOM 454 CG2 THR A 31 6.771 -5.482 5.432 1.00 0.00 C ATOM 0 H THR A 31 7.942 -8.932 3.004 1.00 0.00 H new ATOM 0 HA THR A 31 5.744 -7.693 4.447 1.00 0.00 H new ATOM 0 HB THR A 31 8.407 -6.256 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.649 -6.851 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.403 -4.868 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.401 -4.880 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.928 -5.861 6.009 1.00 0.00 H new ATOM 462 N VAL A 32 5.411 -6.126 2.501 1.00 0.00 N ATOM 463 CA VAL A 32 5.111 -5.407 1.269 1.00 0.00 C ATOM 464 C VAL A 32 4.681 -3.973 1.560 1.00 0.00 C ATOM 465 O VAL A 32 3.992 -3.710 2.545 1.00 0.00 O ATOM 466 CB VAL A 32 4.001 -6.110 0.464 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.667 -5.317 -0.791 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.417 -7.530 0.113 1.00 0.00 C ATOM 0 H VAL A 32 4.702 -6.031 3.228 1.00 0.00 H new ATOM 0 HA VAL A 32 6.027 -5.396 0.678 1.00 0.00 H new ATOM 0 HB VAL A 32 3.104 -6.161 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.881 -5.829 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.324 -4.321 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.556 -5.232 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.622 -8.012 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.327 -7.505 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.601 -8.092 1.029 1.00 0.00 H new ATOM 478 N GLN A 33 5.093 -3.050 0.697 1.00 0.00 N ATOM 479 CA GLN A 33 4.751 -1.643 0.863 1.00 0.00 C ATOM 480 C GLN A 33 3.454 -1.308 0.133 1.00 0.00 C ATOM 481 O GLN A 33 3.261 -1.694 -1.020 1.00 0.00 O ATOM 482 CB GLN A 33 5.885 -0.756 0.345 1.00 0.00 C ATOM 483 CG GLN A 33 5.851 0.660 0.898 1.00 0.00 C ATOM 484 CD GLN A 33 4.823 1.533 0.206 1.00 0.00 C ATOM 485 OE1 GLN A 33 4.500 1.323 -0.964 1.00 0.00 O ATOM 486 NE2 GLN A 33 4.302 2.519 0.926 1.00 0.00 N ATOM 0 H GLN A 33 5.664 -3.252 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 33 4.607 -1.453 1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.840 -1.215 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.834 -0.714 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.632 0.624 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.837 1.112 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.599 2.657 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.605 3.139 0.513 1.00 0.00 H new ATOM 495 N VAL A 34 2.567 -0.589 0.813 1.00 0.00 N ATOM 496 CA VAL A 34 1.288 -0.202 0.230 1.00 0.00 C ATOM 497 C VAL A 34 1.165 1.314 0.131 1.00 0.00 C ATOM 498 O VAL A 34 1.477 2.037 1.078 1.00 0.00 O ATOM 499 CB VAL A 34 0.107 -0.749 1.053 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.213 -0.449 0.358 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.268 -2.244 1.286 1.00 0.00 C ATOM 0 H VAL A 34 2.711 -0.263 1.769 1.00 0.00 H new ATOM 0 HA VAL A 34 1.254 -0.632 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 34 0.101 -0.251 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.036 -0.843 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.329 0.629 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.221 -0.918 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.575 -2.614 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.300 -2.760 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.194 -2.430 1.829 1.00 0.00 H new ATOM 511 N THR A 35 0.708 1.792 -1.022 1.00 0.00 N ATOM 512 CA THR A 35 0.544 3.223 -1.246 1.00 0.00 C ATOM 513 C THR A 35 -0.762 3.520 -1.973 1.00 0.00 C ATOM 514 O THR A 35 -1.190 2.754 -2.837 1.00 0.00 O ATOM 515 CB THR A 35 1.716 3.802 -2.062 1.00 0.00 C ATOM 516 OG1 THR A 35 2.959 3.304 -1.554 1.00 0.00 O ATOM 517 CG2 THR A 35 1.713 5.322 -2.009 1.00 0.00 C ATOM 0 H THR A 35 0.445 1.208 -1.816 1.00 0.00 H new ATOM 0 HA THR A 35 0.526 3.696 -0.264 1.00 0.00 H new ATOM 0 HB THR A 35 1.597 3.490 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.043 2.352 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.549 5.708 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.778 5.699 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.810 5.650 -0.974 1.00 0.00 H new ATOM 525 N TRP A 36 -1.390 4.635 -1.619 1.00 0.00 N ATOM 526 CA TRP A 36 -2.649 5.033 -2.239 1.00 0.00 C ATOM 527 C TRP A 36 -2.822 6.547 -2.196 1.00 0.00 C ATOM 528 O TRP A 36 -2.214 7.229 -1.371 1.00 0.00 O ATOM 529 CB TRP A 36 -3.825 4.352 -1.537 1.00 0.00 C ATOM 530 CG TRP A 36 -4.023 4.815 -0.126 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.779 5.874 0.291 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.455 4.236 1.054 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.715 5.988 1.659 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.910 4.994 2.151 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.609 3.150 1.291 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.544 4.700 3.461 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.246 2.859 2.592 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.714 3.631 3.664 1.00 0.00 C ATOM 0 H TRP A 36 -1.048 5.280 -0.906 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.627 4.718 -3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.736 4.540 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.665 3.274 -1.539 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.344 6.526 -0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.190 6.697 2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.245 2.548 0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.902 5.295 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.591 2.023 2.786 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.414 3.377 4.670 1.00 0.00 H new ATOM 549 N THR A 37 -3.656 7.069 -3.090 1.00 0.00 N ATOM 550 CA THR A 37 -3.909 8.503 -3.154 1.00 0.00 C ATOM 551 C THR A 37 -5.388 8.791 -3.384 1.00 0.00 C ATOM 552 O THR A 37 -6.051 8.105 -4.163 1.00 0.00 O ATOM 553 CB THR A 37 -3.088 9.168 -4.275 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.076 10.589 -4.096 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.663 8.829 -5.642 1.00 0.00 C ATOM 0 H THR A 37 -4.168 6.519 -3.780 1.00 0.00 H new ATOM 0 HA THR A 37 -3.606 8.921 -2.194 1.00 0.00 H new ATOM 0 HB THR A 37 -2.068 8.787 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.551 11.004 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.066 9.310 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.644 7.749 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.691 9.185 -5.703 1.00 0.00 H new ATOM 563 N VAL A 38 -5.900 9.810 -2.702 1.00 0.00 N ATOM 564 CA VAL A 38 -7.302 10.191 -2.834 1.00 0.00 C ATOM 565 C VAL A 38 -7.440 11.575 -3.458 1.00 0.00 C ATOM 566 O VAL A 38 -6.627 12.464 -3.206 1.00 0.00 O ATOM 567 CB VAL A 38 -8.016 10.182 -1.469 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.873 8.823 -0.800 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.471 11.286 -0.576 1.00 0.00 C ATOM 0 H VAL A 38 -5.366 10.387 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.770 9.454 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.077 10.369 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.384 8.836 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.316 8.056 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.817 8.602 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.987 11.265 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.403 11.133 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.632 12.253 -1.053 1.00 0.00 H new ATOM 579 N ASP A 39 -8.473 11.750 -4.274 1.00 0.00 N ATOM 580 CA ASP A 39 -8.719 13.026 -4.934 1.00 0.00 C ATOM 581 C ASP A 39 -9.138 14.089 -3.923 1.00 0.00 C ATOM 582 O ASP A 39 -8.528 15.155 -3.840 1.00 0.00 O ATOM 583 CB ASP A 39 -9.799 12.871 -6.005 1.00 0.00 C ATOM 584 CG ASP A 39 -9.249 12.322 -7.307 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.437 11.375 -7.254 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.629 12.840 -8.378 1.00 0.00 O ATOM 0 H ASP A 39 -9.154 11.023 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.791 13.346 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.580 12.207 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.265 13.839 -6.190 1.00 0.00 H new ATOM 591 N ARG A 40 -10.182 13.791 -3.156 1.00 0.00 N ATOM 592 CA ARG A 40 -10.683 14.722 -2.152 1.00 0.00 C ATOM 593 C ARG A 40 -10.584 14.118 -0.754 1.00 0.00 C ATOM 594 O ARG A 40 -11.567 13.605 -0.219 1.00 0.00 O ATOM 595 CB ARG A 40 -12.134 15.099 -2.455 1.00 0.00 C ATOM 596 CG ARG A 40 -12.296 15.935 -3.714 1.00 0.00 C ATOM 597 CD ARG A 40 -13.700 15.813 -4.287 1.00 0.00 C ATOM 598 NE ARG A 40 -14.106 17.020 -5.002 1.00 0.00 N ATOM 599 CZ ARG A 40 -15.052 17.039 -5.934 1.00 0.00 C ATOM 600 NH1 ARG A 40 -15.686 15.922 -6.263 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.365 18.178 -6.540 1.00 0.00 N ATOM 0 H ARG A 40 -10.697 12.912 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.067 15.621 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.724 14.188 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.542 15.651 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.084 16.980 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.568 15.616 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.743 14.959 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.405 15.615 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.637 17.897 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.448 15.045 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.412 15.940 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.879 19.039 -6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.092 18.192 -7.256 1.00 0.00 H new ATOM 615 N GLN A 41 -9.393 14.185 -0.170 1.00 0.00 N ATOM 616 CA GLN A 41 -9.166 13.644 1.165 1.00 0.00 C ATOM 617 C GLN A 41 -10.221 14.149 2.144 1.00 0.00 C ATOM 618 O GLN A 41 -10.388 15.352 2.347 1.00 0.00 O ATOM 619 CB GLN A 41 -7.769 14.022 1.662 1.00 0.00 C ATOM 620 CG GLN A 41 -7.505 13.615 3.102 1.00 0.00 C ATOM 621 CD GLN A 41 -7.894 14.694 4.094 1.00 0.00 C ATOM 622 OE1 GLN A 41 -8.297 15.792 3.708 1.00 0.00 O ATOM 623 NE2 GLN A 41 -7.776 14.386 5.380 1.00 0.00 N ATOM 0 H GLN A 41 -8.570 14.608 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.241 12.558 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.024 13.553 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.638 15.100 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.060 12.704 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.447 13.381 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.438 13.464 5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.024 15.072 6.093 1.00 0.00 H new ATOM 632 N PRO A 42 -10.951 13.211 2.765 1.00 0.00 N ATOM 633 CA PRO A 42 -12.002 13.538 3.733 1.00 0.00 C ATOM 634 C PRO A 42 -11.438 14.100 5.033 1.00 0.00 C ATOM 635 O PRO A 42 -10.314 13.782 5.421 1.00 0.00 O ATOM 636 CB PRO A 42 -12.685 12.191 3.984 1.00 0.00 C ATOM 637 CG PRO A 42 -11.640 11.174 3.677 1.00 0.00 C ATOM 638 CD PRO A 42 -10.806 11.759 2.571 1.00 0.00 C ATOM 0 HA PRO A 42 -12.675 14.309 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.028 12.107 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.560 12.065 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.031 10.963 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.092 10.231 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.765 11.446 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.164 11.447 1.590 1.00 0.00 H new ATOM 646 N GLN A 43 -12.226 14.936 5.702 1.00 0.00 N ATOM 647 CA GLN A 43 -11.803 15.542 6.959 1.00 0.00 C ATOM 648 C GLN A 43 -12.313 14.737 8.150 1.00 0.00 C ATOM 649 O GLN A 43 -11.568 14.459 9.089 1.00 0.00 O ATOM 650 CB GLN A 43 -12.307 16.984 7.050 1.00 0.00 C ATOM 651 CG GLN A 43 -11.400 17.989 6.359 1.00 0.00 C ATOM 652 CD GLN A 43 -10.081 18.179 7.082 1.00 0.00 C ATOM 653 OE1 GLN A 43 -9.748 17.427 7.998 1.00 0.00 O ATOM 654 NE2 GLN A 43 -9.321 19.188 6.672 1.00 0.00 N ATOM 0 H GLN A 43 -13.160 15.209 5.395 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.713 15.543 6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.302 17.041 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.408 17.260 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.206 17.657 5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.913 18.948 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.636 19.787 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.422 19.364 7.120 1.00 0.00 H new ATOM 663 N PHE A 44 -13.589 14.367 8.104 1.00 0.00 N ATOM 664 CA PHE A 44 -14.199 13.595 9.180 1.00 0.00 C ATOM 665 C PHE A 44 -13.466 12.273 9.385 1.00 0.00 C ATOM 666 O PHE A 44 -13.275 11.826 10.517 1.00 0.00 O ATOM 667 CB PHE A 44 -15.675 13.330 8.873 1.00 0.00 C ATOM 668 CG PHE A 44 -15.911 12.784 7.494 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.908 11.417 7.266 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.135 13.637 6.425 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.125 10.911 5.998 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.354 13.137 5.156 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.347 11.773 4.941 1.00 0.00 C ATOM 0 H PHE A 44 -14.220 14.589 7.334 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.124 14.178 10.098 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.070 12.627 9.606 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.234 14.258 8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.734 10.739 8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.138 14.705 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.121 9.844 5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.531 13.813 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.515 11.381 3.949 1.00 0.00 H new ATOM 683 N ILE A 45 -13.058 11.652 8.283 1.00 0.00 N ATOM 684 CA ILE A 45 -12.345 10.382 8.342 1.00 0.00 C ATOM 685 C ILE A 45 -11.465 10.303 9.584 1.00 0.00 C ATOM 686 O ILE A 45 -10.870 11.297 9.999 1.00 0.00 O ATOM 687 CB ILE A 45 -11.470 10.170 7.092 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.185 8.680 6.890 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.171 10.951 7.216 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.235 8.397 5.747 1.00 0.00 C ATOM 0 H ILE A 45 -13.209 12.008 7.339 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.100 9.597 8.385 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.011 10.539 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.767 8.270 7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.125 8.160 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.564 10.791 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.393 12.013 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.624 10.609 8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.078 7.322 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.660 8.777 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.281 8.889 5.937 1.00 0.00 H new ATOM 702 N GLN A 46 -11.385 9.113 10.171 1.00 0.00 N ATOM 703 CA GLN A 46 -10.576 8.904 11.366 1.00 0.00 C ATOM 704 C GLN A 46 -9.236 8.268 11.011 1.00 0.00 C ATOM 705 O GLN A 46 -8.226 8.518 11.667 1.00 0.00 O ATOM 706 CB GLN A 46 -11.324 8.021 12.366 1.00 0.00 C ATOM 707 CG GLN A 46 -12.185 8.804 13.344 1.00 0.00 C ATOM 708 CD GLN A 46 -11.394 9.332 14.524 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.631 10.290 14.396 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.573 8.710 15.684 1.00 0.00 N ATOM 0 H GLN A 46 -11.870 8.280 9.839 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.387 9.876 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.955 7.321 11.819 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.601 7.428 12.926 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.653 9.639 12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.989 8.164 13.707 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.215 7.920 15.745 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.068 9.022 16.513 1.00 0.00 H new ATOM 719 N GLY A 47 -9.236 7.442 9.969 1.00 0.00 N ATOM 720 CA GLY A 47 -8.014 6.783 9.545 1.00 0.00 C ATOM 721 C GLY A 47 -8.195 5.997 8.262 1.00 0.00 C ATOM 722 O GLY A 47 -9.061 6.316 7.447 1.00 0.00 O ATOM 0 H GLY A 47 -10.060 7.217 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.233 7.530 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.674 6.112 10.334 1.00 0.00 H new ATOM 726 N TYR A 48 -7.375 4.968 8.079 1.00 0.00 N ATOM 727 CA TYR A 48 -7.445 4.137 6.884 1.00 0.00 C ATOM 728 C TYR A 48 -7.193 2.671 7.223 1.00 0.00 C ATOM 729 O TYR A 48 -6.180 2.330 7.835 1.00 0.00 O ATOM 730 CB TYR A 48 -6.428 4.614 5.845 1.00 0.00 C ATOM 731 CG TYR A 48 -6.835 5.887 5.139 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.750 5.862 4.093 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.306 7.115 5.516 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.124 7.023 3.444 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.676 8.280 4.874 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.585 8.229 3.838 1.00 0.00 C ATOM 737 OH TYR A 48 -7.956 9.388 3.195 1.00 0.00 O ATOM 0 H TYR A 48 -6.654 4.690 8.744 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.449 4.227 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.467 4.772 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.283 3.828 5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.176 4.919 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.593 7.159 6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.835 6.986 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.256 9.226 5.181 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.486 10.149 3.595 1.00 0.00 H new ATOM 747 N ARG A 49 -8.121 1.809 6.821 1.00 0.00 N ATOM 748 CA ARG A 49 -8.001 0.380 7.082 1.00 0.00 C ATOM 749 C ARG A 49 -7.395 -0.343 5.882 1.00 0.00 C ATOM 750 O ARG A 49 -7.973 -0.355 4.795 1.00 0.00 O ATOM 751 CB ARG A 49 -9.370 -0.216 7.413 1.00 0.00 C ATOM 752 CG ARG A 49 -9.294 -1.539 8.157 1.00 0.00 C ATOM 753 CD ARG A 49 -9.263 -1.331 9.663 1.00 0.00 C ATOM 754 NE ARG A 49 -10.579 -0.987 10.195 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.916 -1.132 11.472 1.00 0.00 C ATOM 756 NH1 ARG A 49 -10.039 -1.612 12.342 1.00 0.00 N ATOM 757 NH2 ARG A 49 -12.134 -0.796 11.880 1.00 0.00 N ATOM 0 H ARG A 49 -8.964 2.076 6.313 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.338 0.246 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.932 0.498 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.927 -0.361 6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.152 -2.157 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.402 -2.082 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.902 -2.239 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.555 -0.538 9.905 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.277 -0.615 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.102 -1.871 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.301 -1.722 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.811 -0.426 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.392 -0.908 12.860 1.00 0.00 H new ATOM 771 N VAL A 50 -6.228 -0.945 6.088 1.00 0.00 N ATOM 772 CA VAL A 50 -5.545 -1.671 5.024 1.00 0.00 C ATOM 773 C VAL A 50 -5.774 -3.173 5.148 1.00 0.00 C ATOM 774 O VAL A 50 -5.134 -3.844 5.957 1.00 0.00 O ATOM 775 CB VAL A 50 -4.030 -1.391 5.037 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.352 -2.064 3.853 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.765 0.107 5.033 1.00 0.00 C ATOM 0 H VAL A 50 -5.736 -0.944 6.982 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.964 -1.319 4.081 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.609 -1.809 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.283 -1.855 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.513 -3.141 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.774 -1.679 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.690 0.286 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.199 0.551 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.216 0.559 5.917 1.00 0.00 H new ATOM 787 N MET A 51 -6.692 -3.694 4.341 1.00 0.00 N ATOM 788 CA MET A 51 -7.005 -5.119 4.359 1.00 0.00 C ATOM 789 C MET A 51 -5.969 -5.913 3.570 1.00 0.00 C ATOM 790 O MET A 51 -5.349 -5.393 2.642 1.00 0.00 O ATOM 791 CB MET A 51 -8.401 -5.363 3.782 1.00 0.00 C ATOM 792 CG MET A 51 -9.524 -4.854 4.670 1.00 0.00 C ATOM 793 SD MET A 51 -11.145 -5.452 4.153 1.00 0.00 S ATOM 794 CE MET A 51 -11.005 -7.193 4.548 1.00 0.00 C ATOM 0 H MET A 51 -7.232 -3.152 3.667 1.00 0.00 H new ATOM 0 HA MET A 51 -6.984 -5.458 5.395 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.472 -4.879 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.535 -6.432 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.338 -5.164 5.698 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.523 -3.764 4.661 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.886 -7.766 3.629 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.138 -7.352 5.189 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.905 -7.522 5.067 1.00 0.00 H new ATOM 804 N TYR A 52 -5.787 -7.174 3.945 1.00 0.00 N ATOM 805 CA TYR A 52 -4.824 -8.039 3.274 1.00 0.00 C ATOM 806 C TYR A 52 -5.046 -9.500 3.655 1.00 0.00 C ATOM 807 O TYR A 52 -5.495 -9.804 4.760 1.00 0.00 O ATOM 808 CB TYR A 52 -3.396 -7.620 3.629 1.00 0.00 C ATOM 809 CG TYR A 52 -3.081 -7.732 5.104 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.535 -6.778 6.006 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.330 -8.793 5.595 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.249 -6.876 7.354 1.00 0.00 C ATOM 813 CE2 TYR A 52 -2.040 -8.900 6.942 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.501 -7.939 7.817 1.00 0.00 C ATOM 815 OH TYR A 52 -2.215 -8.041 9.159 1.00 0.00 O ATOM 0 H TYR A 52 -6.293 -7.620 4.710 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.969 -7.936 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.695 -8.238 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.239 -6.590 3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.122 -5.945 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.967 -9.547 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.609 -6.125 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.456 -9.732 7.307 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.305 -8.975 9.443 1.00 0.00 H new ATOM 825 N ARG A 53 -4.729 -10.400 2.730 1.00 0.00 N ATOM 826 CA ARG A 53 -4.894 -11.829 2.966 1.00 0.00 C ATOM 827 C ARG A 53 -4.192 -12.644 1.884 1.00 0.00 C ATOM 828 O ARG A 53 -3.653 -12.088 0.927 1.00 0.00 O ATOM 829 CB ARG A 53 -6.379 -12.192 3.010 1.00 0.00 C ATOM 830 CG ARG A 53 -7.054 -12.160 1.649 1.00 0.00 C ATOM 831 CD ARG A 53 -8.224 -13.130 1.584 1.00 0.00 C ATOM 832 NE ARG A 53 -8.803 -13.201 0.246 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.998 -13.722 -0.012 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.736 -14.215 0.973 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.456 -13.751 -1.257 1.00 0.00 N ATOM 0 H ARG A 53 -4.356 -10.165 1.810 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.440 -12.067 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.488 -13.189 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.894 -11.501 3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.406 -11.150 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.328 -12.411 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.889 -14.122 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.991 -12.821 2.295 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.260 -12.830 -0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.387 -14.195 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.653 -14.614 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.891 -13.373 -2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.373 -14.151 -1.454 1.00 0.00 H new ATOM 849 N GLN A 54 -4.203 -13.963 2.043 1.00 0.00 N ATOM 850 CA GLN A 54 -3.566 -14.854 1.079 1.00 0.00 C ATOM 851 C GLN A 54 -4.566 -15.322 0.027 1.00 0.00 C ATOM 852 O GLN A 54 -5.712 -15.644 0.343 1.00 0.00 O ATOM 853 CB GLN A 54 -2.958 -16.062 1.794 1.00 0.00 C ATOM 854 CG GLN A 54 -1.792 -16.688 1.045 1.00 0.00 C ATOM 855 CD GLN A 54 -0.902 -17.522 1.945 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.528 -17.095 3.037 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.557 -18.721 1.489 1.00 0.00 N ATOM 0 H GLN A 54 -4.645 -14.439 2.829 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.772 -14.299 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.621 -15.756 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.732 -16.815 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.176 -17.314 0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.198 -15.901 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.890 -19.035 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.041 -19.328 2.050 1.00 0.00 H new ATOM 866 N THR A 55 -4.126 -15.357 -1.227 1.00 0.00 N ATOM 867 CA THR A 55 -4.982 -15.783 -2.326 1.00 0.00 C ATOM 868 C THR A 55 -5.003 -17.303 -2.449 1.00 0.00 C ATOM 869 O THR A 55 -6.068 -17.912 -2.544 1.00 0.00 O ATOM 870 CB THR A 55 -4.520 -15.178 -3.665 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.174 -15.579 -3.946 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.606 -13.660 -3.631 1.00 0.00 C ATOM 0 H THR A 55 -3.181 -15.095 -1.506 1.00 0.00 H new ATOM 0 HA THR A 55 -5.987 -15.425 -2.101 1.00 0.00 H new ATOM 0 HB THR A 55 -5.179 -15.546 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.558 -15.088 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.275 -13.255 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.637 -13.358 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.968 -13.277 -2.834 1.00 0.00 H new ATOM 880 N SER A 56 -3.820 -17.909 -2.444 1.00 0.00 N ATOM 881 CA SER A 56 -3.704 -19.358 -2.558 1.00 0.00 C ATOM 882 C SER A 56 -2.929 -19.935 -1.377 1.00 0.00 C ATOM 883 O SER A 56 -2.080 -19.265 -0.791 1.00 0.00 O ATOM 884 CB SER A 56 -3.011 -19.734 -3.870 1.00 0.00 C ATOM 885 OG SER A 56 -2.979 -21.139 -4.045 1.00 0.00 O ATOM 0 H SER A 56 -2.929 -17.419 -2.362 1.00 0.00 H new ATOM 0 HA SER A 56 -4.709 -19.780 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.535 -19.272 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.994 -19.341 -3.874 1.00 0.00 H new ATOM 0 HG SER A 56 -2.533 -21.353 -4.891 1.00 0.00 H new ATOM 891 N GLY A 57 -3.228 -21.184 -1.034 1.00 0.00 N ATOM 892 CA GLY A 57 -2.552 -21.831 0.074 1.00 0.00 C ATOM 893 C GLY A 57 -3.486 -22.126 1.231 1.00 0.00 C ATOM 894 O GLY A 57 -4.707 -22.044 1.089 1.00 0.00 O ATOM 0 H GLY A 57 -3.927 -21.759 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.102 -22.762 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.739 -21.194 0.421 1.00 0.00 H new ATOM 898 N LEU A 58 -2.913 -22.471 2.379 1.00 0.00 N ATOM 899 CA LEU A 58 -3.704 -22.781 3.565 1.00 0.00 C ATOM 900 C LEU A 58 -4.455 -21.548 4.056 1.00 0.00 C ATOM 901 O LEU A 58 -5.686 -21.521 4.061 1.00 0.00 O ATOM 902 CB LEU A 58 -2.801 -23.319 4.677 1.00 0.00 C ATOM 903 CG LEU A 58 -3.474 -24.226 5.708 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.683 -23.535 6.318 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.877 -25.549 5.073 1.00 0.00 C ATOM 0 H LEU A 58 -1.905 -22.543 2.514 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.434 -23.545 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.981 -23.871 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.360 -22.471 5.201 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.759 -24.432 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.149 -24.195 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.367 -22.615 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.401 -23.298 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.354 -26.181 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.575 -25.363 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.991 -26.051 4.685 1.00 0.00 H new ATOM 917 N GLN A 59 -3.707 -20.530 4.467 1.00 0.00 N ATOM 918 CA GLN A 59 -4.303 -19.294 4.959 1.00 0.00 C ATOM 919 C GLN A 59 -5.144 -18.627 3.875 1.00 0.00 C ATOM 920 O GLN A 59 -5.866 -17.666 4.140 1.00 0.00 O ATOM 921 CB GLN A 59 -3.214 -18.333 5.439 1.00 0.00 C ATOM 922 CG GLN A 59 -2.667 -18.673 6.816 1.00 0.00 C ATOM 923 CD GLN A 59 -3.723 -18.589 7.900 1.00 0.00 C ATOM 924 OE1 GLN A 59 -4.404 -19.701 8.150 1.00 0.00 O flip ATOM 925 NE2 GLN A 59 -3.924 -17.536 8.507 1.00 0.00 N flip ATOM 0 H GLN A 59 -2.687 -20.537 4.469 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.953 -19.542 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.394 -18.337 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.617 -17.320 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.249 -19.680 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.850 -17.993 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.377 -16.705 8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.638 -17.495 9.235 1.00 0.00 H new ATOM 934 N ALA A 60 -5.046 -19.143 2.655 1.00 0.00 N ATOM 935 CA ALA A 60 -5.799 -18.599 1.532 1.00 0.00 C ATOM 936 C ALA A 60 -7.299 -18.659 1.796 1.00 0.00 C ATOM 937 O ALA A 60 -7.807 -19.643 2.334 1.00 0.00 O ATOM 938 CB ALA A 60 -5.456 -19.349 0.253 1.00 0.00 C ATOM 0 H ALA A 60 -4.452 -19.938 2.419 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.519 -17.552 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.026 -18.932 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.390 -19.250 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.706 -20.403 0.371 1.00 0.00 H new ATOM 944 N THR A 61 -8.006 -17.599 1.415 1.00 0.00 N ATOM 945 CA THR A 61 -9.448 -17.530 1.613 1.00 0.00 C ATOM 946 C THR A 61 -9.845 -18.103 2.969 1.00 0.00 C ATOM 947 O THR A 61 -10.882 -18.753 3.099 1.00 0.00 O ATOM 948 CB THR A 61 -10.204 -18.290 0.506 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.613 -18.073 0.638 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.906 -19.780 0.573 1.00 0.00 C ATOM 0 H THR A 61 -7.602 -16.776 0.967 1.00 0.00 H new ATOM 0 HA THR A 61 -9.722 -16.476 1.573 1.00 0.00 H new ATOM 0 HB THR A 61 -9.868 -17.912 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.908 -18.371 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.451 -20.296 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.836 -19.943 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.217 -20.170 1.542 1.00 0.00 H new ATOM 958 N SER A 62 -9.013 -17.858 3.976 1.00 0.00 N ATOM 959 CA SER A 62 -9.276 -18.353 5.322 1.00 0.00 C ATOM 960 C SER A 62 -9.883 -17.258 6.194 1.00 0.00 C ATOM 961 O SER A 62 -10.938 -17.446 6.801 1.00 0.00 O ATOM 962 CB SER A 62 -7.985 -18.871 5.959 1.00 0.00 C ATOM 963 OG SER A 62 -8.262 -19.660 7.104 1.00 0.00 O ATOM 0 H SER A 62 -8.151 -17.320 3.885 1.00 0.00 H new ATOM 0 HA SER A 62 -9.991 -19.173 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.429 -19.463 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.350 -18.030 6.238 1.00 0.00 H new ATOM 0 HG SER A 62 -7.421 -19.980 7.492 1.00 0.00 H new ATOM 969 N SER A 63 -9.209 -16.114 6.252 1.00 0.00 N ATOM 970 CA SER A 63 -9.678 -14.989 7.052 1.00 0.00 C ATOM 971 C SER A 63 -8.950 -13.706 6.665 1.00 0.00 C ATOM 972 O SER A 63 -7.724 -13.629 6.736 1.00 0.00 O ATOM 973 CB SER A 63 -9.474 -15.275 8.541 1.00 0.00 C ATOM 974 OG SER A 63 -8.100 -15.243 8.884 1.00 0.00 O ATOM 0 H SER A 63 -8.336 -15.942 5.754 1.00 0.00 H new ATOM 0 HA SER A 63 -10.742 -14.855 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.017 -14.539 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.891 -16.252 8.787 1.00 0.00 H new ATOM 0 HG SER A 63 -7.615 -14.686 8.240 1.00 0.00 H new ATOM 980 N TRP A 64 -9.715 -12.700 6.256 1.00 0.00 N ATOM 981 CA TRP A 64 -9.144 -11.419 5.857 1.00 0.00 C ATOM 982 C TRP A 64 -8.575 -10.678 7.062 1.00 0.00 C ATOM 983 O TRP A 64 -9.090 -10.796 8.174 1.00 0.00 O ATOM 984 CB TRP A 64 -10.203 -10.558 5.167 1.00 0.00 C ATOM 985 CG TRP A 64 -10.246 -10.747 3.681 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.078 -11.577 2.985 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.421 -10.095 2.709 1.00 0.00 C ATOM 988 NE1 TRP A 64 -10.820 -11.480 1.638 1.00 0.00 N ATOM 989 CE2 TRP A 64 -9.809 -10.577 1.443 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.395 -9.150 2.785 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.204 -10.145 0.266 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -7.795 -8.722 1.616 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.201 -9.219 0.370 1.00 0.00 C ATOM 0 H TRP A 64 -10.732 -12.747 6.192 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.332 -11.614 5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.182 -10.794 5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.008 -9.508 5.387 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.828 -12.216 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.303 -11.997 0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.076 -8.761 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.515 -10.527 -0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.000 -7.992 1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.713 -8.864 -0.526 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.511 -9.914 6.834 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.873 -9.155 7.902 1.00 0.00 C ATOM 1006 C GLN A 65 -7.135 -7.661 7.740 1.00 0.00 C ATOM 1007 O GLN A 65 -7.800 -7.237 6.796 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.367 -9.421 7.917 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.986 -10.720 8.608 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.547 -11.121 8.345 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.684 -10.983 9.212 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.282 -11.622 7.144 1.00 0.00 N ATOM 0 H GLN A 65 -7.073 -9.805 5.919 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.302 -9.480 8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.000 -9.444 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.865 -8.592 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.139 -10.614 9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.649 -11.516 8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.028 -11.719 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.332 -11.910 6.910 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.609 -6.869 8.669 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.788 -5.422 8.629 1.00 0.00 C ATOM 1023 C ASN A 66 -5.701 -4.717 9.435 1.00 0.00 C ATOM 1024 O ASN A 66 -5.396 -5.109 10.563 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.167 -5.042 9.171 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.543 -5.840 10.405 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -7.676 -6.291 11.154 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.841 -6.017 10.622 1.00 0.00 N ATOM 0 H ASN A 66 -6.056 -7.204 9.458 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.712 -5.101 7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.180 -3.979 9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.916 -5.202 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.155 -6.545 11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.524 -5.625 9.974 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.119 -3.677 8.850 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.065 -2.916 9.513 1.00 0.00 C ATOM 1037 C LEU A 67 -4.518 -1.486 9.790 1.00 0.00 C ATOM 1038 O LEU A 67 -4.427 -0.616 8.923 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.799 -2.905 8.655 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.515 -2.467 9.359 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.941 -3.611 10.182 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.493 -1.972 8.346 1.00 0.00 C ATOM 0 H LEU A 67 -5.359 -3.341 7.917 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.846 -3.399 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.647 -3.907 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.967 -2.245 7.804 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.756 -1.645 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.027 -3.281 10.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.668 -3.920 10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.716 -4.453 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.415 -1.664 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.257 -2.774 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.904 -1.123 7.800 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.005 -1.249 11.003 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.468 0.077 11.395 1.00 0.00 C ATOM 1056 C ASP A 68 -4.307 1.064 11.451 1.00 0.00 C ATOM 1057 O ASP A 68 -3.484 1.019 12.365 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.167 0.014 12.755 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.211 -0.324 13.882 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.201 -1.009 13.617 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.473 0.096 15.028 1.00 0.00 O ATOM 0 H ASP A 68 -5.089 -1.958 11.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.179 0.423 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.642 0.973 12.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.960 -0.733 12.719 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.247 1.955 10.466 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.187 2.954 10.404 1.00 0.00 C ATOM 1068 C ALA A 69 -3.249 3.895 11.602 1.00 0.00 C ATOM 1069 O ALA A 69 -2.233 4.174 12.239 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.281 3.742 9.106 1.00 0.00 C ATOM 0 H ALA A 69 -4.920 2.005 9.701 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.229 2.435 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.484 4.485 9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.180 3.063 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.247 4.244 9.054 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.447 4.384 11.903 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.643 5.294 13.026 1.00 0.00 C ATOM 1078 C LYS A 70 -4.021 6.657 12.736 1.00 0.00 C ATOM 1079 O LYS A 70 -3.548 7.340 13.644 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.034 4.704 14.300 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.420 3.256 14.544 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.774 2.712 15.807 1.00 0.00 C ATOM 1083 CE LYS A 70 -2.418 2.088 15.516 1.00 0.00 C ATOM 1084 NZ LYS A 70 -1.601 1.935 16.751 1.00 0.00 N ATOM 0 H LYS A 70 -5.298 4.165 11.385 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.715 5.427 13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.948 4.777 14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.348 5.304 15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.504 3.176 14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.119 2.649 13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.657 3.517 16.533 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.429 1.967 16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.560 1.112 15.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.880 2.708 14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.685 1.506 16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.444 2.869 17.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.103 1.323 17.426 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.025 7.046 11.465 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.463 8.328 11.056 1.00 0.00 C ATOM 1100 C VAL A 71 -4.049 8.785 9.725 1.00 0.00 C ATOM 1101 O VAL A 71 -3.716 8.264 8.660 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.930 8.255 10.932 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.310 9.625 11.158 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.364 7.236 11.910 1.00 0.00 C ATOM 0 H VAL A 71 -4.411 6.492 10.701 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.723 9.049 11.831 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.680 7.932 9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.226 9.553 11.066 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.692 10.324 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.567 9.981 12.156 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.279 7.198 11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.623 7.526 12.928 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.783 6.253 11.695 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.943 9.783 9.783 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.594 10.333 8.590 1.00 0.00 C ATOM 1116 C PRO A 72 -4.626 11.121 7.714 1.00 0.00 C ATOM 1117 O PRO A 72 -5.020 11.699 6.700 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.667 11.260 9.168 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.154 11.642 10.513 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.388 10.451 11.018 1.00 0.00 C ATOM 0 HA PRO A 72 -5.990 9.550 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.814 12.137 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.630 10.754 9.241 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.512 12.521 10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.974 11.893 11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.544 10.750 11.640 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.015 9.798 11.625 1.00 0.00 H new ATOM 1128 N THR A 73 -3.357 11.139 8.109 1.00 0.00 N ATOM 1129 CA THR A 73 -2.333 11.855 7.359 1.00 0.00 C ATOM 1130 C THR A 73 -1.373 10.888 6.676 1.00 0.00 C ATOM 1131 O THR A 73 -0.475 11.304 5.946 1.00 0.00 O ATOM 1132 CB THR A 73 -1.529 12.802 8.270 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.915 12.058 9.329 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.426 13.881 8.857 1.00 0.00 C ATOM 0 H THR A 73 -3.014 10.665 8.945 1.00 0.00 H new ATOM 0 HA THR A 73 -2.850 12.444 6.601 1.00 0.00 H new ATOM 0 HB THR A 73 -0.758 13.282 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.404 12.666 9.903 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.835 14.537 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.870 14.464 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.217 13.416 9.446 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.570 9.596 6.919 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.720 8.570 6.326 1.00 0.00 C ATOM 1144 C GLU A 74 -1.436 7.869 5.175 1.00 0.00 C ATOM 1145 O GLU A 74 -2.538 7.347 5.341 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.308 7.544 7.384 1.00 0.00 C ATOM 1147 CG GLU A 74 0.939 7.937 8.159 1.00 0.00 C ATOM 1148 CD GLU A 74 2.212 7.425 7.514 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.340 6.195 7.348 1.00 0.00 O ATOM 1150 OE2 GLU A 74 3.080 8.257 7.176 1.00 0.00 O ATOM 0 H GLU A 74 -2.310 9.235 7.522 1.00 0.00 H new ATOM 0 HA GLU A 74 0.173 9.056 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.132 7.405 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.137 6.583 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.987 9.023 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.869 7.548 9.175 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.800 7.863 4.007 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.376 7.229 2.827 1.00 0.00 C ATOM 1159 C ARG A 75 -0.596 5.973 2.450 1.00 0.00 C ATOM 1160 O ARG A 75 -0.582 5.564 1.289 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.388 8.208 1.651 1.00 0.00 C ATOM 1162 CG ARG A 75 -1.939 9.579 2.005 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.457 9.608 1.920 1.00 0.00 C ATOM 1164 NE ARG A 75 -3.960 10.931 1.560 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.024 11.950 2.410 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.620 11.798 3.663 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -4.494 13.124 2.007 1.00 0.00 N ATOM 0 H ARG A 75 0.114 8.290 3.853 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.401 6.942 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.372 8.321 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.984 7.784 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.625 9.849 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.521 10.326 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.793 8.879 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.880 9.308 2.879 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.280 11.081 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.259 10.897 3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.670 12.582 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.807 13.245 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.543 13.905 2.661 1.00 0.00 H new ATOM 1181 N SER A 76 0.052 5.366 3.439 1.00 0.00 N ATOM 1182 CA SER A 76 0.838 4.159 3.211 1.00 0.00 C ATOM 1183 C SER A 76 0.800 3.247 4.433 1.00 0.00 C ATOM 1184 O SER A 76 0.480 3.684 5.538 1.00 0.00 O ATOM 1185 CB SER A 76 2.286 4.523 2.876 1.00 0.00 C ATOM 1186 OG SER A 76 2.919 5.157 3.974 1.00 0.00 O ATOM 0 H SER A 76 0.048 5.690 4.406 1.00 0.00 H new ATOM 0 HA SER A 76 0.401 3.625 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.837 3.623 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.307 5.183 2.009 1.00 0.00 H new ATOM 0 HG SER A 76 3.843 5.378 3.736 1.00 0.00 H new ATOM 1192 N ALA A 77 1.131 1.976 4.226 1.00 0.00 N ATOM 1193 CA ALA A 77 1.138 1.002 5.310 1.00 0.00 C ATOM 1194 C ALA A 77 2.098 -0.144 5.011 1.00 0.00 C ATOM 1195 O ALA A 77 2.376 -0.449 3.852 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.267 0.468 5.548 1.00 0.00 C ATOM 0 H ALA A 77 1.398 1.597 3.317 1.00 0.00 H new ATOM 0 HA ALA A 77 1.482 1.503 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.247 -0.259 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.929 1.292 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.632 -0.012 4.640 1.00 0.00 H new ATOM 1202 N VAL A 78 2.602 -0.777 6.066 1.00 0.00 N ATOM 1203 CA VAL A 78 3.531 -1.891 5.917 1.00 0.00 C ATOM 1204 C VAL A 78 2.959 -3.169 6.520 1.00 0.00 C ATOM 1205 O VAL A 78 2.769 -3.265 7.733 1.00 0.00 O ATOM 1206 CB VAL A 78 4.886 -1.585 6.582 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.850 -2.745 6.389 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.472 -0.296 6.026 1.00 0.00 C ATOM 0 H VAL A 78 2.383 -0.537 7.033 1.00 0.00 H new ATOM 0 HA VAL A 78 3.683 -2.034 4.847 1.00 0.00 H new ATOM 0 HB VAL A 78 4.725 -1.453 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.802 -2.510 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.431 -3.645 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.009 -2.912 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.429 -0.095 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.620 -0.398 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.787 0.529 6.222 1.00 0.00 H new ATOM 1218 N LEU A 79 2.686 -4.149 5.666 1.00 0.00 N ATOM 1219 CA LEU A 79 2.135 -5.423 6.114 1.00 0.00 C ATOM 1220 C LEU A 79 3.244 -6.443 6.350 1.00 0.00 C ATOM 1221 O LEU A 79 3.931 -6.856 5.415 1.00 0.00 O ATOM 1222 CB LEU A 79 1.141 -5.962 5.084 1.00 0.00 C ATOM 1223 CG LEU A 79 0.104 -4.965 4.566 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.538 -5.479 3.287 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.954 -4.696 5.625 1.00 0.00 C ATOM 0 H LEU A 79 2.837 -4.086 4.659 1.00 0.00 H new ATOM 0 HA LEU A 79 1.615 -5.254 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.703 -6.346 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.614 -6.808 5.526 1.00 0.00 H new ATOM 0 HG LEU A 79 0.611 -4.027 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.273 -4.756 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.229 -5.619 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.031 -6.431 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.683 -3.984 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.457 -5.628 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.481 -4.283 6.516 1.00 0.00 H new ATOM 1237 N VAL A 80 3.413 -6.848 7.605 1.00 0.00 N ATOM 1238 CA VAL A 80 4.436 -7.822 7.963 1.00 0.00 C ATOM 1239 C VAL A 80 3.823 -9.195 8.215 1.00 0.00 C ATOM 1240 O VAL A 80 2.604 -9.355 8.196 1.00 0.00 O ATOM 1241 CB VAL A 80 5.215 -7.383 9.217 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.023 -6.126 8.930 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.265 -7.162 10.384 1.00 0.00 C ATOM 0 H VAL A 80 2.854 -6.516 8.391 1.00 0.00 H new ATOM 0 HA VAL A 80 5.124 -7.883 7.120 1.00 0.00 H new ATOM 0 HB VAL A 80 5.909 -8.178 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.567 -5.830 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.731 -6.324 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.351 -5.322 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.833 -6.852 11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.545 -6.386 10.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.736 -8.089 10.603 1.00 0.00 H new ATOM 1253 N ASN A 81 4.679 -10.185 8.450 1.00 0.00 N ATOM 1254 CA ASN A 81 4.222 -11.546 8.705 1.00 0.00 C ATOM 1255 C ASN A 81 3.432 -12.087 7.517 1.00 0.00 C ATOM 1256 O ASN A 81 2.293 -12.533 7.666 1.00 0.00 O ATOM 1257 CB ASN A 81 3.358 -11.588 9.968 1.00 0.00 C ATOM 1258 CG ASN A 81 4.181 -11.795 11.225 1.00 0.00 C ATOM 1259 OD1 ASN A 81 3.967 -12.751 11.970 1.00 0.00 O ATOM 1260 ND2 ASN A 81 5.128 -10.896 11.466 1.00 0.00 N ATOM 0 H ASN A 81 5.692 -10.070 8.469 1.00 0.00 H new ATOM 0 HA ASN A 81 5.100 -12.176 8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.798 -10.657 10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.628 -12.392 9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.714 -10.982 12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.270 -10.119 10.820 1.00 0.00 H new ATOM 1267 N LEU A 82 4.043 -12.044 6.339 1.00 0.00 N ATOM 1268 CA LEU A 82 3.398 -12.529 5.124 1.00 0.00 C ATOM 1269 C LEU A 82 4.049 -13.821 4.641 1.00 0.00 C ATOM 1270 O LEU A 82 5.244 -14.040 4.842 1.00 0.00 O ATOM 1271 CB LEU A 82 3.469 -11.467 4.025 1.00 0.00 C ATOM 1272 CG LEU A 82 2.830 -10.118 4.354 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.049 -9.132 3.217 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.344 -10.286 4.637 1.00 0.00 C ATOM 0 H LEU A 82 4.985 -11.678 6.199 1.00 0.00 H new ATOM 0 HA LEU A 82 2.353 -12.734 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.517 -11.299 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.989 -11.865 3.131 1.00 0.00 H new ATOM 0 HG LEU A 82 3.308 -9.721 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.587 -8.177 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.118 -8.988 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.599 -9.523 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.906 -9.315 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.852 -10.706 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.209 -10.957 5.485 1.00 0.00 H new ATOM 1286 N LYS A 83 3.256 -14.674 4.001 1.00 0.00 N ATOM 1287 CA LYS A 83 3.755 -15.944 3.485 1.00 0.00 C ATOM 1288 C LYS A 83 4.677 -15.721 2.291 1.00 0.00 C ATOM 1289 O LYS A 83 4.540 -14.738 1.562 1.00 0.00 O ATOM 1290 CB LYS A 83 2.588 -16.847 3.080 1.00 0.00 C ATOM 1291 CG LYS A 83 2.895 -18.329 3.204 1.00 0.00 C ATOM 1292 CD LYS A 83 3.480 -18.887 1.918 1.00 0.00 C ATOM 1293 CE LYS A 83 3.211 -20.378 1.784 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.693 -20.914 0.480 1.00 0.00 N ATOM 0 H LYS A 83 2.265 -14.509 3.827 1.00 0.00 H new ATOM 0 HA LYS A 83 4.325 -16.431 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.724 -16.610 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.310 -16.627 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.596 -18.489 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.983 -18.871 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.053 -18.361 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.555 -18.707 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.702 -20.910 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.141 -20.564 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.080 -21.869 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.901 -20.956 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.436 -20.292 0.102 1.00 0.00 H new ATOM 1308 N LYS A 84 5.617 -16.640 2.095 1.00 0.00 N ATOM 1309 CA LYS A 84 6.560 -16.546 0.988 1.00 0.00 C ATOM 1310 C LYS A 84 6.125 -17.434 -0.174 1.00 0.00 C ATOM 1311 O LYS A 84 5.786 -18.601 0.016 1.00 0.00 O ATOM 1312 CB LYS A 84 7.963 -16.946 1.451 1.00 0.00 C ATOM 1313 CG LYS A 84 8.474 -16.125 2.622 1.00 0.00 C ATOM 1314 CD LYS A 84 8.128 -16.775 3.952 1.00 0.00 C ATOM 1315 CE LYS A 84 8.051 -15.748 5.071 1.00 0.00 C ATOM 1316 NZ LYS A 84 7.739 -16.379 6.383 1.00 0.00 N ATOM 0 H LYS A 84 5.745 -17.459 2.689 1.00 0.00 H new ATOM 0 HA LYS A 84 6.578 -15.511 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.957 -17.999 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.656 -16.842 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.555 -16.010 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.043 -15.125 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.173 -17.294 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.879 -17.526 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.999 -15.215 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.287 -15.008 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.695 -15.646 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.822 -16.866 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.482 -17.067 6.623 1.00 0.00 H new ATOM 1330 N GLY A 85 6.139 -16.872 -1.380 1.00 0.00 N ATOM 1331 CA GLY A 85 5.745 -17.628 -2.554 1.00 0.00 C ATOM 1332 C GLY A 85 4.240 -17.721 -2.706 1.00 0.00 C ATOM 1333 O GLY A 85 3.685 -18.816 -2.795 1.00 0.00 O ATOM 0 H GLY A 85 6.416 -15.908 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.168 -17.160 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.164 -18.633 -2.493 1.00 0.00 H new ATOM 1337 N VAL A 86 3.577 -16.569 -2.734 1.00 0.00 N ATOM 1338 CA VAL A 86 2.126 -16.526 -2.875 1.00 0.00 C ATOM 1339 C VAL A 86 1.640 -15.100 -3.108 1.00 0.00 C ATOM 1340 O VAL A 86 2.259 -14.138 -2.653 1.00 0.00 O ATOM 1341 CB VAL A 86 1.424 -17.099 -1.630 1.00 0.00 C ATOM 1342 CG1 VAL A 86 1.429 -16.082 -0.498 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.003 -17.524 -1.969 1.00 0.00 C ATOM 0 H VAL A 86 4.021 -15.654 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 86 1.873 -17.140 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 86 1.973 -17.980 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.929 -16.505 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.458 -15.831 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.904 -15.181 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.479 -17.927 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.559 -16.661 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.027 -18.289 -2.745 1.00 0.00 H new ATOM 1353 N THR A 87 0.525 -14.970 -3.821 1.00 0.00 N ATOM 1354 CA THR A 87 -0.046 -13.662 -4.116 1.00 0.00 C ATOM 1355 C THR A 87 -0.872 -13.145 -2.943 1.00 0.00 C ATOM 1356 O THR A 87 -1.507 -13.921 -2.229 1.00 0.00 O ATOM 1357 CB THR A 87 -0.933 -13.707 -5.374 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.314 -14.513 -6.382 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.176 -12.306 -5.916 1.00 0.00 C ATOM 0 H THR A 87 -0.000 -15.756 -4.205 1.00 0.00 H new ATOM 0 HA THR A 87 0.790 -12.985 -4.294 1.00 0.00 H new ATOM 0 HB THR A 87 -1.893 -14.144 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.885 -14.538 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.805 -12.364 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.675 -11.704 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.223 -11.846 -6.176 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.860 -11.831 -2.751 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.607 -11.211 -1.663 1.00 0.00 C ATOM 1369 C TYR A 88 -2.454 -10.051 -2.177 1.00 0.00 C ATOM 1370 O TYR A 88 -1.946 -9.134 -2.821 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.650 -10.716 -0.577 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.362 -11.747 0.491 1.00 0.00 C ATOM 1373 CD1 TYR A 88 0.658 -12.677 0.330 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -1.109 -11.791 1.662 1.00 0.00 C ATOM 1375 CE1 TYR A 88 0.924 -13.621 1.303 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -0.849 -12.730 2.641 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.168 -13.644 2.456 1.00 0.00 C ATOM 1378 OH TYR A 88 0.430 -14.582 3.428 1.00 0.00 O ATOM 0 H TYR A 88 -0.341 -11.174 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.272 -11.963 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.289 -10.414 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.074 -9.828 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.253 -12.662 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.907 -11.078 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.720 -14.337 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.438 -12.749 3.546 1.00 0.00 H new ATOM 0 HH TYR A 88 0.117 -15.461 3.127 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.750 -10.099 -1.885 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.669 -9.052 -2.317 1.00 0.00 C ATOM 1390 C GLU A 89 -4.869 -8.015 -1.215 1.00 0.00 C ATOM 1391 O GLU A 89 -5.239 -8.353 -0.090 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.017 -9.658 -2.713 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.903 -8.709 -3.502 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.062 -9.417 -4.177 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -9.122 -9.563 -3.533 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -7.909 -9.824 -5.347 1.00 0.00 O ATOM 0 H GLU A 89 -4.187 -10.851 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.233 -8.556 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.842 -10.556 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.545 -9.969 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.291 -7.940 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.303 -8.201 -4.257 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.622 -6.753 -1.547 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.775 -5.667 -0.588 1.00 0.00 C ATOM 1405 C ILE A 90 -5.589 -4.521 -1.179 1.00 0.00 C ATOM 1406 O ILE A 90 -5.482 -4.217 -2.367 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.409 -5.126 -0.127 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.546 -6.262 0.426 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.596 -4.038 0.921 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.697 -6.942 -0.626 1.00 0.00 C ATOM 0 H ILE A 90 -4.315 -6.457 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.303 -6.079 0.272 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.898 -4.692 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.896 -5.867 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.193 -7.004 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.621 -3.666 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.177 -3.219 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.124 -4.449 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.112 -7.737 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.342 -7.367 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.025 -6.213 -1.078 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.403 -3.886 -0.342 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.234 -2.771 -0.779 1.00 0.00 C ATOM 1424 C LYS A 91 -7.462 -1.783 0.360 1.00 0.00 C ATOM 1425 O LYS A 91 -7.664 -2.179 1.508 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.578 -3.284 -1.300 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.422 -3.967 -0.238 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.059 -5.436 -0.097 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.920 -6.124 0.952 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.229 -6.563 0.393 1.00 0.00 N ATOM 0 H LYS A 91 -6.505 -4.125 0.644 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.712 -2.255 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.140 -2.448 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.398 -3.985 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.282 -3.463 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.477 -3.875 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.184 -5.937 -1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.008 -5.528 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.387 -6.987 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.091 -5.443 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.787 -7.027 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.749 -5.736 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.067 -7.233 -0.386 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.430 -0.494 0.035 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.635 0.551 1.031 1.00 0.00 C ATOM 1446 C VAL A 92 -9.116 0.884 1.180 1.00 0.00 C ATOM 1447 O VAL A 92 -9.876 0.825 0.213 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.866 1.834 0.665 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -7.179 2.945 1.655 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.370 1.561 0.614 1.00 0.00 C ATOM 0 H VAL A 92 -7.264 -0.149 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.254 0.166 1.977 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.188 2.160 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.627 3.844 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.248 3.157 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.887 2.632 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.841 2.478 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.031 1.211 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.165 0.798 -0.137 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.518 1.235 2.397 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.908 1.578 2.673 1.00 0.00 C ATOM 1462 C ARG A 93 -10.998 2.669 3.736 1.00 0.00 C ATOM 1463 O ARG A 93 -10.742 2.440 4.918 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.679 0.339 3.131 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.233 -0.191 4.484 1.00 0.00 C ATOM 1466 CD ARG A 93 -11.753 -1.598 4.731 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.041 -1.593 5.419 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.487 -2.608 6.151 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -12.753 -3.703 6.290 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -14.670 -2.528 6.747 1.00 0.00 N ATOM 0 H ARG A 93 -8.901 1.289 3.207 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.353 1.955 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.741 0.579 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.562 -0.448 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.144 -0.190 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.589 0.473 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.853 -2.120 3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.027 -2.154 5.325 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.630 -0.765 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.843 -3.768 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.098 -4.480 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.238 -1.687 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.012 -3.308 7.309 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.370 3.884 3.307 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.503 5.034 4.206 1.00 0.00 C ATOM 1486 C PRO A 94 -12.691 4.896 5.152 1.00 0.00 C ATOM 1487 O PRO A 94 -13.834 5.146 4.769 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.715 6.210 3.249 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.300 5.599 2.022 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.691 4.228 1.912 1.00 0.00 C ATOM 0 HA PRO A 94 -10.635 5.146 4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.385 6.954 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.775 6.716 3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.386 5.539 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.073 6.199 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.387 3.514 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.800 4.233 1.284 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.413 4.498 6.389 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.460 4.325 7.389 1.00 0.00 C ATOM 1500 C TYR A 95 -13.436 5.464 8.404 1.00 0.00 C ATOM 1501 O TYR A 95 -12.373 5.971 8.762 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.293 2.985 8.106 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.375 3.050 9.306 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.844 3.484 10.540 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.040 2.679 9.206 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -12.009 3.546 11.640 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.199 2.736 10.300 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.688 3.171 11.515 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.852 3.231 12.607 1.00 0.00 O ATOM 0 H TYR A 95 -11.472 4.289 6.723 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.422 4.338 6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.272 2.630 8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.903 2.251 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.878 3.778 10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.653 2.340 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.389 3.886 12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.164 2.442 10.205 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.955 2.931 12.349 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.618 5.862 8.865 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.735 6.941 9.839 1.00 0.00 C ATOM 1521 C PHE A 96 -14.883 6.384 11.252 1.00 0.00 C ATOM 1522 O PHE A 96 -13.943 6.420 12.046 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.931 7.833 9.502 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.231 8.858 10.558 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.347 9.897 10.804 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.395 8.783 11.305 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.620 10.842 11.775 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.673 9.726 12.276 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.784 10.756 12.513 1.00 0.00 C ATOM 0 H PHE A 96 -15.508 5.453 8.580 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.823 7.537 9.796 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.740 8.342 8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.811 7.207 9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.435 9.969 10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.093 7.979 11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.923 11.647 11.956 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.586 9.658 12.850 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.999 11.492 13.273 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.070 5.872 11.558 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.342 5.308 12.876 1.00 0.00 C ATOM 1541 C ASN A 97 -16.467 3.790 12.803 1.00 0.00 C ATOM 1542 O ASN A 97 -15.709 3.064 13.445 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.625 5.910 13.455 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.367 7.192 14.222 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.224 7.633 14.349 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.430 7.798 14.737 1.00 0.00 N ATOM 0 H ASN A 97 -16.859 5.836 10.912 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.505 5.554 13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.327 6.109 12.645 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.098 5.183 14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.318 8.665 15.263 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.359 7.397 14.607 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.429 3.317 12.015 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.652 1.885 11.859 1.00 0.00 C ATOM 1555 C GLU A 98 -17.819 1.518 10.387 1.00 0.00 C ATOM 1556 O GLU A 98 -17.427 0.432 9.958 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.889 1.450 12.648 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.180 2.081 12.152 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.508 3.377 12.868 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -19.929 3.621 13.948 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.343 4.147 12.350 1.00 0.00 O ATOM 0 H GLU A 98 -18.065 3.905 11.476 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.779 1.362 12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.981 0.365 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.749 1.707 13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.099 2.272 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -21.000 1.377 12.289 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.404 2.430 9.619 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.625 2.203 8.195 1.00 0.00 C ATOM 1570 C PHE A 99 -17.325 2.356 7.412 1.00 0.00 C ATOM 1571 O PHE A 99 -16.364 2.954 7.896 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.675 3.178 7.658 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.481 4.589 8.133 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.983 4.997 9.359 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.797 5.509 7.355 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.807 6.295 9.799 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.617 6.808 7.790 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.123 7.202 9.013 1.00 0.00 C ATOM 0 H PHE A 99 -18.734 3.334 9.958 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.988 1.183 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.649 3.163 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.665 2.835 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.518 4.292 9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.400 5.207 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.204 6.600 10.756 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.081 7.515 7.174 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.984 8.217 9.354 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.303 1.811 6.200 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.121 1.886 5.350 1.00 0.00 C ATOM 1590 C GLN A 100 -16.473 2.441 3.974 1.00 0.00 C ATOM 1591 O GLN A 100 -17.539 2.151 3.431 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.481 0.504 5.207 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.435 -0.556 4.680 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.608 -0.490 3.175 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -15.632 -0.394 2.430 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -17.854 -0.540 2.719 1.00 0.00 N ATOM 0 H GLN A 100 -18.090 1.313 5.785 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.408 2.562 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.625 0.577 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.099 0.187 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.064 -1.543 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.407 -0.435 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.633 -0.620 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.032 -0.499 1.715 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.571 3.241 3.415 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.806 3.825 2.107 1.00 0.00 C ATOM 1607 C GLY A 101 -15.482 2.866 0.978 1.00 0.00 C ATOM 1608 O GLY A 101 -14.759 1.890 1.172 1.00 0.00 O ATOM 0 H GLY A 101 -14.681 3.495 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.849 4.132 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.201 4.725 2.000 1.00 0.00 H new ATOM 1612 N MET A 102 -16.021 3.144 -0.205 1.00 0.00 N ATOM 1613 CA MET A 102 -15.785 2.298 -1.369 1.00 0.00 C ATOM 1614 C MET A 102 -14.359 1.757 -1.368 1.00 0.00 C ATOM 1615 O MET A 102 -13.396 2.519 -1.291 1.00 0.00 O ATOM 1616 CB MET A 102 -16.044 3.083 -2.657 1.00 0.00 C ATOM 1617 CG MET A 102 -17.519 3.324 -2.936 1.00 0.00 C ATOM 1618 SD MET A 102 -17.804 4.790 -3.946 1.00 0.00 S ATOM 1619 CE MET A 102 -16.820 4.403 -5.391 1.00 0.00 C ATOM 0 H MET A 102 -16.623 3.948 -0.382 1.00 0.00 H new ATOM 0 HA MET A 102 -16.474 1.455 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.532 4.044 -2.596 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.608 2.542 -3.497 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.936 2.453 -3.441 1.00 0.00 H new ATOM 0 HG3 MET A 102 -18.051 3.430 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.058 5.104 -6.191 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.762 4.481 -5.142 1.00 0.00 H new ATOM 0 HE3 MET A 102 -17.041 3.388 -5.720 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.233 0.437 -1.454 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.924 -0.206 -1.463 1.00 0.00 C ATOM 1631 C ASP A 103 -12.165 0.124 -2.745 1.00 0.00 C ATOM 1632 O ASP A 103 -12.655 -0.117 -3.848 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.076 -1.722 -1.323 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.048 -2.107 -0.224 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.257 -1.838 -0.381 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.599 -2.677 0.791 1.00 0.00 O ATOM 0 H ASP A 103 -15.021 -0.208 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.354 0.175 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.419 -2.139 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.102 -2.164 -1.114 1.00 0.00 H new ATOM 1641 N SER A 104 -10.967 0.679 -2.591 1.00 0.00 N ATOM 1642 CA SER A 104 -10.142 1.047 -3.735 1.00 0.00 C ATOM 1643 C SER A 104 -9.848 -0.170 -4.607 1.00 0.00 C ATOM 1644 O SER A 104 -10.097 -1.307 -4.208 1.00 0.00 O ATOM 1645 CB SER A 104 -8.831 1.680 -3.264 1.00 0.00 C ATOM 1646 OG SER A 104 -8.182 2.358 -4.325 1.00 0.00 O ATOM 0 H SER A 104 -10.546 0.884 -1.685 1.00 0.00 H new ATOM 0 HA SER A 104 -10.694 1.774 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.032 2.378 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.173 0.908 -2.866 1.00 0.00 H new ATOM 0 HG SER A 104 -8.825 2.936 -4.786 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.317 0.079 -5.800 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.989 -0.996 -6.729 1.00 0.00 C ATOM 1654 C GLU A 105 -7.991 -1.968 -6.107 1.00 0.00 C ATOM 1655 O GLU A 105 -6.789 -1.705 -6.079 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.418 -0.422 -8.027 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.386 0.484 -8.771 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.898 0.842 -10.161 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.152 0.037 -10.755 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.264 1.930 -10.655 1.00 0.00 O ATOM 0 H GLU A 105 -9.105 1.015 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.907 -1.540 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.512 0.139 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.128 -1.244 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.355 -0.009 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.537 1.398 -8.196 1.00 0.00 H new ATOM 1667 N SER A 106 -8.498 -3.091 -5.609 1.00 0.00 N ATOM 1668 CA SER A 106 -7.653 -4.100 -4.983 1.00 0.00 C ATOM 1669 C SER A 106 -6.480 -4.464 -5.889 1.00 0.00 C ATOM 1670 O SER A 106 -6.639 -4.612 -7.101 1.00 0.00 O ATOM 1671 CB SER A 106 -8.471 -5.352 -4.660 1.00 0.00 C ATOM 1672 OG SER A 106 -9.206 -5.787 -5.791 1.00 0.00 O ATOM 0 H SER A 106 -9.491 -3.325 -5.627 1.00 0.00 H new ATOM 0 HA SER A 106 -7.258 -3.684 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.806 -6.149 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.154 -5.142 -3.837 1.00 0.00 H new ATOM 0 HG SER A 106 -9.719 -6.589 -5.559 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.302 -4.608 -5.292 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.101 -4.956 -6.042 1.00 0.00 C ATOM 1680 C LYS A 107 -3.473 -6.235 -5.499 1.00 0.00 C ATOM 1681 O LYS A 107 -3.472 -6.476 -4.291 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.087 -3.811 -5.981 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.493 -2.595 -6.795 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.102 -2.747 -8.256 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.253 -1.436 -9.012 1.00 0.00 C ATOM 1686 NZ LYS A 107 -4.622 -1.274 -9.575 1.00 0.00 N ATOM 0 H LYS A 107 -5.153 -4.489 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.387 -5.125 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.950 -3.513 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.122 -4.172 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.570 -2.448 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.020 -1.704 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.070 -3.091 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.724 -3.511 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.035 -0.604 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.521 -1.396 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.684 -0.368 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.821 -2.054 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.319 -1.286 -8.803 1.00 0.00 H new ATOM 1700 N THR A 108 -2.936 -7.054 -6.399 1.00 0.00 N ATOM 1701 CA THR A 108 -2.304 -8.308 -6.011 1.00 0.00 C ATOM 1702 C THR A 108 -0.786 -8.176 -5.992 1.00 0.00 C ATOM 1703 O THR A 108 -0.186 -7.656 -6.934 1.00 0.00 O ATOM 1704 CB THR A 108 -2.697 -9.454 -6.963 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.685 -8.991 -8.318 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.077 -9.994 -6.618 1.00 0.00 C ATOM 0 H THR A 108 -2.927 -6.870 -7.402 1.00 0.00 H new ATOM 0 HA THR A 108 -2.658 -8.542 -5.007 1.00 0.00 H new ATOM 0 HB THR A 108 -1.970 -10.258 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.934 -9.726 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.333 -10.802 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.075 -10.372 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.813 -9.195 -6.708 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.168 -8.651 -4.915 1.00 0.00 N ATOM 1715 CA VAL A 109 1.282 -8.587 -4.776 1.00 0.00 C ATOM 1716 C VAL A 109 1.887 -9.983 -4.686 1.00 0.00 C ATOM 1717 O VAL A 109 1.723 -10.679 -3.684 1.00 0.00 O ATOM 1718 CB VAL A 109 1.691 -7.782 -3.528 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.097 -8.402 -2.273 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.206 -7.694 -3.424 1.00 0.00 C ATOM 0 H VAL A 109 -0.649 -9.084 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 109 1.663 -8.085 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 109 1.297 -6.770 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.397 -7.819 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.010 -8.407 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.458 -9.425 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.477 -7.122 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.625 -8.698 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.603 -7.199 -4.310 1.00 0.00 H new ATOM 1730 N ARG A 110 2.589 -10.387 -5.740 1.00 0.00 N ATOM 1731 CA ARG A 110 3.218 -11.701 -5.782 1.00 0.00 C ATOM 1732 C ARG A 110 4.518 -11.707 -4.982 1.00 0.00 C ATOM 1733 O ARG A 110 5.490 -11.047 -5.351 1.00 0.00 O ATOM 1734 CB ARG A 110 3.496 -12.112 -7.229 1.00 0.00 C ATOM 1735 CG ARG A 110 3.501 -13.617 -7.444 1.00 0.00 C ATOM 1736 CD ARG A 110 4.046 -13.981 -8.816 1.00 0.00 C ATOM 1737 NE ARG A 110 5.503 -14.080 -8.818 1.00 0.00 N ATOM 1738 CZ ARG A 110 6.238 -14.071 -9.924 1.00 0.00 C ATOM 1739 NH1 ARG A 110 5.656 -13.966 -11.111 1.00 0.00 N ATOM 1740 NH2 ARG A 110 7.560 -14.165 -9.845 1.00 0.00 N ATOM 0 H ARG A 110 2.736 -9.822 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 110 2.531 -12.419 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.743 -11.663 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.461 -11.707 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.106 -14.094 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.487 -14.004 -7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.618 -14.931 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.733 -13.230 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 110 5.982 -14.160 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.641 -13.892 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.224 -13.959 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.012 -14.244 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.123 -14.158 -10.695 1.00 0.00 H new ATOM 1754 N THR A 111 4.528 -12.455 -3.883 1.00 0.00 N ATOM 1755 CA THR A 111 5.706 -12.545 -3.030 1.00 0.00 C ATOM 1756 C THR A 111 6.652 -13.638 -3.513 1.00 0.00 C ATOM 1757 O THR A 111 6.392 -14.827 -3.323 1.00 0.00 O ATOM 1758 CB THR A 111 5.319 -12.826 -1.566 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.634 -14.080 -1.472 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.435 -11.716 -1.017 1.00 0.00 C ATOM 0 H THR A 111 3.733 -13.008 -3.563 1.00 0.00 H new ATOM 0 HA THR A 111 6.211 -11.581 -3.086 1.00 0.00 H new ATOM 0 HB THR A 111 6.233 -12.867 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.688 -13.953 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.175 -11.937 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.971 -10.768 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.525 -11.647 -1.613 1.00 0.00 H new ATOM 1768 N THR A 112 7.752 -13.230 -4.138 1.00 0.00 N ATOM 1769 CA THR A 112 8.737 -14.175 -4.649 1.00 0.00 C ATOM 1770 C THR A 112 8.985 -15.302 -3.653 1.00 0.00 C ATOM 1771 O THR A 112 8.642 -15.189 -2.476 1.00 0.00 O ATOM 1772 CB THR A 112 10.074 -13.478 -4.963 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.049 -14.447 -5.365 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.583 -12.712 -3.751 1.00 0.00 C ATOM 0 H THR A 112 7.983 -12.250 -4.303 1.00 0.00 H new ATOM 0 HA THR A 112 8.328 -14.591 -5.570 1.00 0.00 H new ATOM 0 HB THR A 112 9.908 -12.771 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.896 -13.996 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.528 -12.228 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.852 -11.956 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.734 -13.403 -2.921 1.00 0.00 H new ATOM 1782 N GLU A 113 9.585 -16.387 -4.131 1.00 0.00 N ATOM 1783 CA GLU A 113 9.880 -17.534 -3.281 1.00 0.00 C ATOM 1784 C GLU A 113 11.342 -17.528 -2.845 1.00 0.00 C ATOM 1785 O GLU A 113 11.645 -17.474 -1.654 1.00 0.00 O ATOM 1786 CB GLU A 113 9.561 -18.838 -4.016 1.00 0.00 C ATOM 1787 CG GLU A 113 10.260 -20.053 -3.431 1.00 0.00 C ATOM 1788 CD GLU A 113 9.475 -21.334 -3.639 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.319 -21.405 -3.173 1.00 0.00 O ATOM 1790 OE2 GLU A 113 10.017 -22.266 -4.270 1.00 0.00 O ATOM 0 H GLU A 113 9.876 -16.496 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 113 9.254 -17.464 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.484 -19.003 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.846 -18.734 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.244 -20.156 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.419 -19.898 -2.364 1.00 0.00 H new ATOM 1797 N GLU A 114 12.244 -17.584 -3.820 1.00 0.00 N ATOM 1798 CA GLU A 114 13.675 -17.586 -3.537 1.00 0.00 C ATOM 1799 C GLU A 114 14.219 -16.162 -3.475 1.00 0.00 C ATOM 1800 O GLU A 114 14.035 -15.374 -4.403 1.00 0.00 O ATOM 1801 CB GLU A 114 14.427 -18.385 -4.604 1.00 0.00 C ATOM 1802 CG GLU A 114 15.814 -18.826 -4.168 1.00 0.00 C ATOM 1803 CD GLU A 114 16.647 -19.353 -5.320 1.00 0.00 C ATOM 1804 OE1 GLU A 114 16.191 -20.297 -6.000 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.755 -18.822 -5.542 1.00 0.00 O ATOM 0 H GLU A 114 12.010 -17.629 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 114 13.827 -18.057 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.841 -19.265 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.514 -17.779 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.330 -17.984 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.722 -19.601 -3.407 1.00 0.00 H new ATOM 1812 N SER A 115 14.889 -15.838 -2.373 1.00 0.00 N ATOM 1813 CA SER A 115 15.456 -14.508 -2.186 1.00 0.00 C ATOM 1814 C SER A 115 16.511 -14.214 -3.248 1.00 0.00 C ATOM 1815 O SER A 115 17.656 -14.653 -3.141 1.00 0.00 O ATOM 1816 CB SER A 115 16.071 -14.384 -0.791 1.00 0.00 C ATOM 1817 OG SER A 115 16.518 -13.062 -0.546 1.00 0.00 O ATOM 0 H SER A 115 15.052 -16.479 -1.596 1.00 0.00 H new ATOM 0 HA SER A 115 14.652 -13.779 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.335 -14.667 -0.039 1.00 0.00 H new ATOM 0 HB3 SER A 115 16.907 -15.077 -0.696 1.00 0.00 H new ATOM 0 HG SER A 115 16.905 -13.009 0.353 1.00 0.00 H new ATOM 1823 N GLY A 116 16.117 -13.466 -4.274 1.00 0.00 N ATOM 1824 CA GLY A 116 17.039 -13.125 -5.342 1.00 0.00 C ATOM 1825 C GLY A 116 16.340 -12.929 -6.672 1.00 0.00 C ATOM 1826 O GLY A 116 16.496 -13.721 -7.602 1.00 0.00 O ATOM 0 H GLY A 116 15.175 -13.090 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 116 17.574 -12.212 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 116 17.784 -13.914 -5.440 1.00 0.00 H new ATOM 1830 N PRO A 117 15.547 -11.853 -6.775 1.00 0.00 N ATOM 1831 CA PRO A 117 14.804 -11.531 -7.997 1.00 0.00 C ATOM 1832 C PRO A 117 15.720 -11.086 -9.132 1.00 0.00 C ATOM 1833 O PRO A 117 16.154 -9.935 -9.177 1.00 0.00 O ATOM 1834 CB PRO A 117 13.891 -10.380 -7.565 1.00 0.00 C ATOM 1835 CG PRO A 117 14.595 -9.750 -6.413 1.00 0.00 C ATOM 1836 CD PRO A 117 15.314 -10.866 -5.706 1.00 0.00 C ATOM 0 HA PRO A 117 14.267 -12.396 -8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.742 -9.667 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 117 12.905 -10.744 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.296 -8.988 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.888 -9.257 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 117 16.250 -10.524 -5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.713 -11.283 -4.898 1.00 0.00 H new ATOM 1844 N SER A 118 16.009 -12.005 -10.048 1.00 0.00 N ATOM 1845 CA SER A 118 16.876 -11.707 -11.182 1.00 0.00 C ATOM 1846 C SER A 118 18.153 -11.010 -10.721 1.00 0.00 C ATOM 1847 O SER A 118 18.598 -10.039 -11.333 1.00 0.00 O ATOM 1848 CB SER A 118 16.141 -10.831 -12.197 1.00 0.00 C ATOM 1849 OG SER A 118 15.277 -11.607 -13.009 1.00 0.00 O ATOM 0 H SER A 118 15.656 -12.962 -10.027 1.00 0.00 H new ATOM 0 HA SER A 118 17.148 -12.650 -11.657 1.00 0.00 H new ATOM 0 HB2 SER A 118 15.565 -10.068 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 118 16.865 -10.310 -12.824 1.00 0.00 H new ATOM 0 HG SER A 118 14.817 -11.024 -13.648 1.00 0.00 H new ATOM 1855 N SER A 119 18.736 -11.513 -9.638 1.00 0.00 N ATOM 1856 CA SER A 119 19.959 -10.937 -9.091 1.00 0.00 C ATOM 1857 C SER A 119 20.716 -11.963 -8.254 1.00 0.00 C ATOM 1858 O SER A 119 20.119 -12.861 -7.663 1.00 0.00 O ATOM 1859 CB SER A 119 19.634 -9.708 -8.240 1.00 0.00 C ATOM 1860 OG SER A 119 20.775 -9.264 -7.527 1.00 0.00 O ATOM 0 H SER A 119 18.381 -12.318 -9.122 1.00 0.00 H new ATOM 0 HA SER A 119 20.593 -10.635 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.267 -8.906 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 119 18.834 -9.948 -7.539 1.00 0.00 H new ATOM 0 HG SER A 119 20.541 -8.477 -6.992 1.00 0.00 H new ATOM 1866 N GLY A 120 22.038 -11.823 -8.209 1.00 0.00 N ATOM 1867 CA GLY A 120 22.856 -12.744 -7.443 1.00 0.00 C ATOM 1868 C GLY A 120 24.201 -13.004 -8.093 1.00 0.00 C ATOM 1869 O GLY A 120 24.382 -12.747 -9.283 1.00 0.00 O ATOM 0 H GLY A 120 22.556 -11.088 -8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 120 23.012 -12.341 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.323 -13.688 -7.327 1.00 0.00 H new TER 1873 GLY A 120