USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -17.1! C(o=-17!,f=-22!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= -0.0875 USER MOD Single : A 1 LYS N :NH3+ 142:sc= 0.0613 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.91! C(o=-3.9!,f=-2.4!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.58 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 33 ASN : amide:sc= -1.38! C(o=-1.4!,f=-0.72!) USER MOD Single : A 40 CYS SG : rot 56:sc= 0.281 USER MOD Single : A 42 THR OG1 : rot -131:sc= 1.82 USER MOD Single : A 47 TYR OH : rot -59:sc= -5.07! USER MOD Single : A 55 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 58 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.6!) USER MOD Single : A 59 SER OG : rot 120:sc= 0.336 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00574 X(o=-0.0057,f=0) USER MOD Single : A 63 THR OG1 : rot 57:sc= -0.401 USER MOD Single : A 65 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.31) USER MOD Single : A 69 SER OG : rot 167:sc= -2.86! USER MOD Single : A 72 GLN : amide:sc= -9.44! C(o=-9.4!,f=-5.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -122:sc= -1.19 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 140:sc= -0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.063 4.948 8.925 1.00 0.00 N ATOM 2 CA LYS A 1 -6.813 4.351 9.474 1.00 0.00 C ATOM 3 C LYS A 1 -5.607 4.906 8.715 1.00 0.00 C ATOM 4 O LYS A 1 -5.701 5.268 7.557 1.00 0.00 O ATOM 5 CB LYS A 1 -6.859 2.831 9.314 1.00 0.00 C ATOM 6 CG LYS A 1 -5.727 2.199 10.125 1.00 0.00 C ATOM 7 CD LYS A 1 -6.309 1.501 11.356 1.00 0.00 C ATOM 8 CE LYS A 1 -5.440 1.807 12.576 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.332 0.588 13.427 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.813 4.228 8.907 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.361 5.743 9.525 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.889 5.290 7.959 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.725 4.602 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.821 2.448 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.761 2.562 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.182 1.482 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.013 2.964 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.330 1.840 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.354 0.425 11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.449 2.131 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.874 2.626 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.741 0.795 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.280 0.299 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.899 -0.182 12.878 1.00 0.00 H new ATOM 25 N LYS A 2 -4.473 4.982 9.356 1.00 0.00 N ATOM 26 CA LYS A 2 -3.271 5.519 8.668 1.00 0.00 C ATOM 27 C LYS A 2 -2.301 4.377 8.345 1.00 0.00 C ATOM 28 O LYS A 2 -2.142 3.442 9.104 1.00 0.00 O ATOM 29 CB LYS A 2 -2.607 6.579 9.567 1.00 0.00 C ATOM 30 CG LYS A 2 -1.338 6.032 10.235 1.00 0.00 C ATOM 31 CD LYS A 2 -0.598 7.172 10.936 1.00 0.00 C ATOM 32 CE LYS A 2 0.270 7.917 9.919 1.00 0.00 C ATOM 33 NZ LYS A 2 0.818 9.154 10.544 1.00 0.00 N ATOM 0 H LYS A 2 -4.329 4.695 10.324 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.558 5.990 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.357 7.458 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.312 6.902 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.599 5.257 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.692 5.570 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.312 7.857 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.023 6.777 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.084 7.276 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.320 8.172 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.408 9.660 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.034 9.767 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.395 8.899 11.371 1.00 0.00 H new ATOM 47 N ALA A 3 -1.648 4.465 7.223 1.00 0.00 N ATOM 48 CA ALA A 3 -0.674 3.409 6.831 1.00 0.00 C ATOM 49 C ALA A 3 0.716 4.034 6.689 1.00 0.00 C ATOM 50 O ALA A 3 0.859 5.237 6.588 1.00 0.00 O ATOM 51 CB ALA A 3 -1.097 2.794 5.495 1.00 0.00 C ATOM 0 H ALA A 3 -1.747 5.229 6.554 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.650 2.631 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.384 2.021 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.089 2.353 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.120 3.569 4.729 1.00 0.00 H new ATOM 57 N VAL A 4 1.743 3.229 6.683 1.00 0.00 N ATOM 58 CA VAL A 4 3.122 3.777 6.551 1.00 0.00 C ATOM 59 C VAL A 4 3.998 2.767 5.811 1.00 0.00 C ATOM 60 O VAL A 4 4.187 1.654 6.259 1.00 0.00 O ATOM 61 CB VAL A 4 3.707 4.026 7.942 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.148 4.525 7.811 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.863 5.077 8.665 1.00 0.00 C ATOM 0 H VAL A 4 1.686 2.214 6.764 1.00 0.00 H new ATOM 0 HA VAL A 4 3.089 4.714 5.995 1.00 0.00 H new ATOM 0 HB VAL A 4 3.699 3.097 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.563 4.702 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.747 3.775 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.161 5.454 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.277 5.257 9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.871 6.006 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.838 4.718 8.759 1.00 0.00 H new ATOM 73 N ILE A 5 4.539 3.141 4.684 1.00 0.00 N ATOM 74 CA ILE A 5 5.403 2.185 3.936 1.00 0.00 C ATOM 75 C ILE A 5 6.872 2.518 4.182 1.00 0.00 C ATOM 76 O ILE A 5 7.436 3.397 3.561 1.00 0.00 O ATOM 77 CB ILE A 5 5.103 2.268 2.442 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.572 2.233 2.245 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.792 1.091 1.734 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.157 1.149 1.240 1.00 0.00 C ATOM 0 H ILE A 5 4.422 4.058 4.252 1.00 0.00 H new ATOM 0 HA ILE A 5 5.197 1.173 4.285 1.00 0.00 H new ATOM 0 HB ILE A 5 5.484 3.195 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.085 2.048 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.227 3.206 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.586 1.138 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.868 1.147 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.412 0.152 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.073 1.154 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.624 1.349 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.480 0.173 1.603 1.00 0.00 H new ATOM 92 N ASN A 6 7.494 1.817 5.085 1.00 0.00 N ATOM 93 CA ASN A 6 8.923 2.076 5.384 1.00 0.00 C ATOM 94 C ASN A 6 9.793 1.292 4.398 1.00 0.00 C ATOM 95 O ASN A 6 9.844 0.079 4.430 1.00 0.00 O ATOM 96 CB ASN A 6 9.211 1.615 6.810 1.00 0.00 C ATOM 97 CG ASN A 6 8.459 2.508 7.797 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.045 3.369 8.424 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.176 2.339 7.964 1.00 0.00 N ATOM 0 H ASN A 6 7.068 1.069 5.633 1.00 0.00 H new ATOM 0 HA ASN A 6 9.145 3.139 5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.905 0.577 6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.282 1.658 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.665 2.929 8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.684 1.617 7.438 1.00 0.00 H new ATOM 106 N GLY A 7 10.473 1.974 3.515 1.00 0.00 N ATOM 107 CA GLY A 7 11.330 1.263 2.523 1.00 0.00 C ATOM 108 C GLY A 7 12.531 0.628 3.228 1.00 0.00 C ATOM 109 O GLY A 7 12.965 -0.452 2.880 1.00 0.00 O ATOM 0 H GLY A 7 10.472 2.991 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.749 0.494 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.673 1.962 1.760 1.00 0.00 H new ATOM 113 N GLU A 8 13.076 1.290 4.211 1.00 0.00 N ATOM 114 CA GLU A 8 14.253 0.723 4.929 1.00 0.00 C ATOM 115 C GLU A 8 13.879 -0.621 5.560 1.00 0.00 C ATOM 116 O GLU A 8 14.721 -1.467 5.782 1.00 0.00 O ATOM 117 CB GLU A 8 14.695 1.692 6.026 1.00 0.00 C ATOM 118 CG GLU A 8 15.952 2.437 5.572 1.00 0.00 C ATOM 119 CD GLU A 8 17.102 2.131 6.534 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.831 1.937 7.708 1.00 0.00 O ATOM 121 OE2 GLU A 8 18.234 2.097 6.081 1.00 0.00 O ATOM 0 H GLU A 8 12.758 2.199 4.548 1.00 0.00 H new ATOM 0 HA GLU A 8 15.068 0.574 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.897 2.402 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.895 1.147 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.221 2.135 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.762 3.510 5.545 1.00 0.00 H new ATOM 128 N GLN A 9 12.625 -0.823 5.857 1.00 0.00 N ATOM 129 CA GLN A 9 12.204 -2.106 6.479 1.00 0.00 C ATOM 130 C GLN A 9 11.846 -3.119 5.391 1.00 0.00 C ATOM 131 O GLN A 9 12.198 -4.279 5.467 1.00 0.00 O ATOM 132 CB GLN A 9 10.980 -1.849 7.355 1.00 0.00 C ATOM 133 CG GLN A 9 11.310 -0.766 8.383 1.00 0.00 C ATOM 134 CD GLN A 9 11.097 -1.318 9.794 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.046 -1.574 10.508 1.00 0.00 O ATOM 136 NE2 GLN A 9 9.882 -1.513 10.228 1.00 0.00 N ATOM 0 H GLN A 9 11.874 -0.153 5.695 1.00 0.00 H new ATOM 0 HA GLN A 9 13.019 -2.506 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.137 -1.536 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.682 -2.767 7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.342 -0.437 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.677 0.107 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.086 -1.298 9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.729 -1.880 11.167 1.00 0.00 H new ATOM 145 N ILE A 10 11.137 -2.691 4.387 1.00 0.00 N ATOM 146 CA ILE A 10 10.740 -3.624 3.301 1.00 0.00 C ATOM 147 C ILE A 10 11.952 -4.404 2.801 1.00 0.00 C ATOM 148 O ILE A 10 12.962 -3.842 2.426 1.00 0.00 O ATOM 149 CB ILE A 10 10.128 -2.837 2.144 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.764 -2.308 2.574 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.958 -3.759 0.934 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.827 -3.484 2.823 1.00 0.00 C ATOM 0 H ILE A 10 10.814 -1.730 4.272 1.00 0.00 H new ATOM 0 HA ILE A 10 10.005 -4.326 3.695 1.00 0.00 H new ATOM 0 HB ILE A 10 10.780 -2.006 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.862 -1.708 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.353 -1.657 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.521 -3.198 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.931 -4.149 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.301 -4.588 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.850 -3.112 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.722 -4.066 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.238 -4.117 3.609 1.00 0.00 H new ATOM 164 N ARG A 11 11.849 -5.702 2.791 1.00 0.00 N ATOM 165 CA ARG A 11 12.976 -6.544 2.317 1.00 0.00 C ATOM 166 C ARG A 11 12.569 -7.262 1.027 1.00 0.00 C ATOM 167 O ARG A 11 13.362 -7.943 0.409 1.00 0.00 O ATOM 168 CB ARG A 11 13.305 -7.576 3.392 1.00 0.00 C ATOM 169 CG ARG A 11 14.243 -6.950 4.423 1.00 0.00 C ATOM 170 CD ARG A 11 15.682 -7.010 3.907 1.00 0.00 C ATOM 171 NE ARG A 11 16.169 -5.628 3.630 1.00 0.00 N ATOM 172 CZ ARG A 11 17.444 -5.404 3.455 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.308 -6.372 3.607 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.856 -4.210 3.127 1.00 0.00 N ATOM 0 H ARG A 11 11.024 -6.219 3.094 1.00 0.00 H new ATOM 0 HA ARG A 11 13.849 -5.921 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.390 -7.918 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.773 -8.451 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.956 -5.915 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.163 -7.480 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.324 -7.492 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.730 -7.612 3.000 1.00 0.00 H new ATOM 0 HE ARG A 11 15.505 -4.856 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.988 -7.306 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.303 -6.194 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.183 -3.453 3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.851 -4.034 2.990 1.00 0.00 H new ATOM 188 N SER A 12 11.337 -7.117 0.616 1.00 0.00 N ATOM 189 CA SER A 12 10.882 -7.794 -0.632 1.00 0.00 C ATOM 190 C SER A 12 9.446 -7.370 -0.951 1.00 0.00 C ATOM 191 O SER A 12 8.759 -6.799 -0.127 1.00 0.00 O ATOM 192 CB SER A 12 10.932 -9.310 -0.434 1.00 0.00 C ATOM 193 OG SER A 12 11.159 -9.597 0.939 1.00 0.00 O ATOM 0 H SER A 12 10.627 -6.559 1.091 1.00 0.00 H new ATOM 0 HA SER A 12 11.535 -7.511 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.996 -9.762 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.726 -9.742 -1.044 1.00 0.00 H new ATOM 0 HG SER A 12 11.190 -10.568 1.069 1.00 0.00 H new ATOM 199 N ILE A 13 8.986 -7.644 -2.143 1.00 0.00 N ATOM 200 CA ILE A 13 7.595 -7.255 -2.509 1.00 0.00 C ATOM 201 C ILE A 13 6.628 -7.798 -1.457 1.00 0.00 C ATOM 202 O ILE A 13 5.780 -7.085 -0.952 1.00 0.00 O ATOM 203 CB ILE A 13 7.246 -7.832 -3.882 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.888 -7.290 -4.340 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.174 -9.355 -3.788 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.820 -5.782 -4.087 1.00 0.00 C ATOM 0 H ILE A 13 9.512 -8.119 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 13 7.515 -6.169 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 13 8.013 -7.543 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.742 -7.497 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.085 -7.795 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.925 -9.769 -4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.139 -9.746 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.407 -9.639 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.852 -5.401 -4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.946 -5.586 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.613 -5.283 -4.644 1.00 0.00 H new ATOM 218 N SER A 14 6.760 -9.047 -1.102 1.00 0.00 N ATOM 219 CA SER A 14 5.860 -9.612 -0.065 1.00 0.00 C ATOM 220 C SER A 14 5.899 -8.681 1.138 1.00 0.00 C ATOM 221 O SER A 14 4.889 -8.357 1.726 1.00 0.00 O ATOM 222 CB SER A 14 6.360 -10.994 0.343 1.00 0.00 C ATOM 223 OG SER A 14 6.154 -11.905 -0.729 1.00 0.00 O ATOM 0 H SER A 14 7.449 -9.695 -1.484 1.00 0.00 H new ATOM 0 HA SER A 14 4.843 -9.703 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.419 -10.949 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.831 -11.336 1.233 1.00 0.00 H new ATOM 0 HG SER A 14 6.476 -12.794 -0.470 1.00 0.00 H new ATOM 229 N ASP A 15 7.073 -8.238 1.492 1.00 0.00 N ATOM 230 CA ASP A 15 7.217 -7.309 2.638 1.00 0.00 C ATOM 231 C ASP A 15 6.373 -6.063 2.384 1.00 0.00 C ATOM 232 O ASP A 15 5.711 -5.555 3.262 1.00 0.00 O ATOM 233 CB ASP A 15 8.679 -6.890 2.763 1.00 0.00 C ATOM 234 CG ASP A 15 9.216 -7.292 4.137 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.571 -6.968 5.121 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.262 -7.918 4.183 1.00 0.00 O ATOM 0 H ASP A 15 7.947 -8.485 1.028 1.00 0.00 H new ATOM 0 HA ASP A 15 6.889 -7.804 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.271 -7.362 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.771 -5.812 2.627 1.00 0.00 H new ATOM 241 N LEU A 16 6.404 -5.570 1.180 1.00 0.00 N ATOM 242 CA LEU A 16 5.615 -4.352 0.841 1.00 0.00 C ATOM 243 C LEU A 16 4.148 -4.618 1.161 1.00 0.00 C ATOM 244 O LEU A 16 3.511 -3.901 1.916 1.00 0.00 O ATOM 245 CB LEU A 16 5.785 -4.071 -0.659 1.00 0.00 C ATOM 246 CG LEU A 16 5.276 -2.670 -1.038 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.404 -1.697 0.138 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.113 -2.149 -2.207 1.00 0.00 C ATOM 0 H LEU A 16 6.946 -5.960 0.409 1.00 0.00 H new ATOM 0 HA LEU A 16 5.958 -3.491 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.837 -4.161 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.243 -4.822 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 16 4.223 -2.741 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.036 -0.715 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.817 -2.064 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.450 -1.618 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.765 -1.155 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.160 -2.096 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.011 -2.824 -3.057 1.00 0.00 H new ATOM 260 N HIS A 17 3.620 -5.662 0.603 1.00 0.00 N ATOM 261 CA HIS A 17 2.211 -6.020 0.861 1.00 0.00 C ATOM 262 C HIS A 17 2.076 -6.447 2.325 1.00 0.00 C ATOM 263 O HIS A 17 0.997 -6.499 2.878 1.00 0.00 O ATOM 264 CB HIS A 17 1.843 -7.163 -0.082 1.00 0.00 C ATOM 265 CG HIS A 17 2.292 -6.793 -1.468 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.620 -5.852 -2.233 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.356 -7.205 -2.231 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.281 -5.729 -3.398 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.347 -6.532 -3.449 1.00 0.00 N ATOM 0 H HIS A 17 4.114 -6.291 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 17 1.541 -5.178 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.322 -8.089 0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.767 -7.338 -0.065 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.777 -5.345 -1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.089 -7.940 -1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.986 -5.062 -4.195 1.00 0.00 H new ATOM 277 N GLN A 18 3.176 -6.732 2.964 1.00 0.00 N ATOM 278 CA GLN A 18 3.126 -7.132 4.387 1.00 0.00 C ATOM 279 C GLN A 18 2.760 -5.910 5.227 1.00 0.00 C ATOM 280 O GLN A 18 1.825 -5.933 6.002 1.00 0.00 O ATOM 281 CB GLN A 18 4.493 -7.664 4.821 1.00 0.00 C ATOM 282 CG GLN A 18 4.328 -8.535 6.068 1.00 0.00 C ATOM 283 CD GLN A 18 5.699 -8.796 6.694 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.028 -8.236 7.721 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.519 -9.630 6.114 1.00 0.00 N ATOM 0 H GLN A 18 4.110 -6.703 2.555 1.00 0.00 H new ATOM 0 HA GLN A 18 2.381 -7.915 4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.942 -8.245 4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.168 -6.834 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.677 -8.039 6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.851 -9.479 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.243 -10.100 5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.436 -9.811 6.523 1.00 0.00 H new ATOM 294 N THR A 19 3.488 -4.836 5.072 1.00 0.00 N ATOM 295 CA THR A 19 3.181 -3.617 5.850 1.00 0.00 C ATOM 296 C THR A 19 1.816 -3.094 5.394 1.00 0.00 C ATOM 297 O THR A 19 1.021 -2.641 6.186 1.00 0.00 O ATOM 298 CB THR A 19 4.297 -2.569 5.634 1.00 0.00 C ATOM 299 OG1 THR A 19 4.921 -2.298 6.881 1.00 0.00 O ATOM 300 CG2 THR A 19 3.732 -1.256 5.078 1.00 0.00 C ATOM 0 H THR A 19 4.282 -4.758 4.437 1.00 0.00 H new ATOM 0 HA THR A 19 3.139 -3.833 6.918 1.00 0.00 H new ATOM 0 HB THR A 19 5.010 -2.973 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.632 -1.635 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.543 -0.541 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.246 -1.445 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.005 -0.847 5.779 1.00 0.00 H new ATOM 308 N LEU A 20 1.535 -3.166 4.120 1.00 0.00 N ATOM 309 CA LEU A 20 0.224 -2.692 3.625 1.00 0.00 C ATOM 310 C LEU A 20 -0.877 -3.533 4.268 1.00 0.00 C ATOM 311 O LEU A 20 -1.950 -3.068 4.561 1.00 0.00 O ATOM 312 CB LEU A 20 0.174 -2.878 2.113 1.00 0.00 C ATOM 313 CG LEU A 20 1.088 -1.858 1.436 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.017 -2.045 -0.078 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.635 -0.443 1.803 1.00 0.00 C ATOM 0 H LEU A 20 2.162 -3.534 3.405 1.00 0.00 H new ATOM 0 HA LEU A 20 0.084 -1.640 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.485 -3.889 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.849 -2.757 1.756 1.00 0.00 H new ATOM 0 HG LEU A 20 2.114 -2.005 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.668 -1.319 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.341 -3.053 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.009 -1.896 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.287 0.285 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.391 -0.291 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.685 -0.314 2.884 1.00 0.00 H new ATOM 327 N LYS A 21 -0.599 -4.779 4.473 1.00 0.00 N ATOM 328 CA LYS A 21 -1.597 -5.704 5.084 1.00 0.00 C ATOM 329 C LYS A 21 -1.747 -5.406 6.576 1.00 0.00 C ATOM 330 O LYS A 21 -2.816 -5.512 7.133 1.00 0.00 O ATOM 331 CB LYS A 21 -1.114 -7.144 4.907 1.00 0.00 C ATOM 332 CG LYS A 21 -2.281 -8.108 5.130 1.00 0.00 C ATOM 333 CD LYS A 21 -1.823 -9.266 6.020 1.00 0.00 C ATOM 334 CE LYS A 21 -1.581 -10.507 5.158 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.201 -11.016 5.398 1.00 0.00 N ATOM 0 H LYS A 21 0.295 -5.212 4.241 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.561 -5.566 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.703 -7.280 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.312 -7.359 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.115 -7.584 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.639 -8.490 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.909 -8.993 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.578 -9.478 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.312 -11.279 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.712 -10.262 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.035 -11.860 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.489 -10.280 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.092 -11.265 6.402 1.00 0.00 H new ATOM 349 N LYS A 22 -0.683 -5.046 7.231 1.00 0.00 N ATOM 350 CA LYS A 22 -0.768 -4.749 8.682 1.00 0.00 C ATOM 351 C LYS A 22 -1.561 -3.461 8.888 1.00 0.00 C ATOM 352 O LYS A 22 -2.497 -3.400 9.660 1.00 0.00 O ATOM 353 CB LYS A 22 0.640 -4.550 9.229 1.00 0.00 C ATOM 354 CG LYS A 22 0.611 -4.608 10.757 1.00 0.00 C ATOM 355 CD LYS A 22 2.042 -4.569 11.297 1.00 0.00 C ATOM 356 CE LYS A 22 2.053 -5.052 12.749 1.00 0.00 C ATOM 357 NZ LYS A 22 1.997 -3.877 13.664 1.00 0.00 N ATOM 0 H LYS A 22 0.246 -4.944 6.821 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.260 -5.574 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.305 -5.321 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.037 -3.590 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.039 -3.769 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.111 -5.518 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.689 -5.200 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.437 -3.555 11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.203 -5.709 12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.954 -5.635 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.004 -4.205 14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.822 -3.266 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.125 -3.339 13.485 1.00 0.00 H new ATOM 371 N GLU A 23 -1.174 -2.433 8.196 1.00 0.00 N ATOM 372 CA GLU A 23 -1.857 -1.129 8.311 1.00 0.00 C ATOM 373 C GLU A 23 -3.288 -1.270 7.809 1.00 0.00 C ATOM 374 O GLU A 23 -4.239 -0.879 8.456 1.00 0.00 O ATOM 375 CB GLU A 23 -1.099 -0.135 7.439 1.00 0.00 C ATOM 376 CG GLU A 23 0.231 0.214 8.112 1.00 0.00 C ATOM 377 CD GLU A 23 -0.015 1.174 9.278 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.034 1.032 9.933 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.821 2.036 9.496 1.00 0.00 O ATOM 0 H GLU A 23 -0.393 -2.446 7.540 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.878 -0.787 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.920 -0.562 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.694 0.767 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.716 -0.693 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.906 0.671 7.389 1.00 0.00 H new ATOM 386 N LEU A 24 -3.430 -1.837 6.653 1.00 0.00 N ATOM 387 CA LEU A 24 -4.774 -2.037 6.060 1.00 0.00 C ATOM 388 C LEU A 24 -5.471 -3.191 6.779 1.00 0.00 C ATOM 389 O LEU A 24 -6.655 -3.410 6.622 1.00 0.00 O ATOM 390 CB LEU A 24 -4.605 -2.381 4.580 1.00 0.00 C ATOM 391 CG LEU A 24 -3.886 -1.230 3.875 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.067 -1.780 2.709 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.915 -0.229 3.348 1.00 0.00 C ATOM 0 H LEU A 24 -2.657 -2.178 6.081 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.374 -1.133 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.034 -3.303 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.578 -2.553 4.121 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.224 -0.730 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.554 -0.960 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.332 -2.492 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.730 -2.281 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.401 0.591 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.579 -0.728 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.499 0.164 4.180 1.00 0.00 H new ATOM 405 N ALA A 25 -4.741 -3.933 7.567 1.00 0.00 N ATOM 406 CA ALA A 25 -5.356 -5.072 8.295 1.00 0.00 C ATOM 407 C ALA A 25 -6.097 -5.976 7.308 1.00 0.00 C ATOM 408 O ALA A 25 -7.250 -6.309 7.499 1.00 0.00 O ATOM 409 CB ALA A 25 -6.327 -4.521 9.331 1.00 0.00 C ATOM 0 H ALA A 25 -3.744 -3.797 7.736 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.584 -5.659 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.787 -5.347 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.789 -3.882 10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.102 -3.940 8.831 1.00 0.00 H new ATOM 415 N LEU A 26 -5.438 -6.382 6.257 1.00 0.00 N ATOM 416 CA LEU A 26 -6.094 -7.271 5.257 1.00 0.00 C ATOM 417 C LEU A 26 -6.153 -8.695 5.820 1.00 0.00 C ATOM 418 O LEU A 26 -5.414 -9.029 6.725 1.00 0.00 O ATOM 419 CB LEU A 26 -5.277 -7.264 3.961 1.00 0.00 C ATOM 420 CG LEU A 26 -4.926 -5.824 3.584 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.883 -5.827 2.467 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.187 -5.102 3.101 1.00 0.00 C ATOM 0 H LEU A 26 -4.471 -6.135 6.048 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.104 -6.917 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.366 -7.849 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.846 -7.733 3.158 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.522 -5.309 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.634 -4.800 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.985 -6.341 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.286 -6.342 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.938 -4.075 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.590 -5.618 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.931 -5.098 3.897 1.00 0.00 H new ATOM 434 N PRO A 27 -7.032 -9.494 5.270 1.00 0.00 N ATOM 435 CA PRO A 27 -7.200 -10.890 5.710 1.00 0.00 C ATOM 436 C PRO A 27 -5.879 -11.649 5.574 1.00 0.00 C ATOM 437 O PRO A 27 -4.864 -11.088 5.211 1.00 0.00 O ATOM 438 CB PRO A 27 -8.259 -11.473 4.765 1.00 0.00 C ATOM 439 CG PRO A 27 -8.739 -10.332 3.832 1.00 0.00 C ATOM 440 CD PRO A 27 -7.920 -9.077 4.171 1.00 0.00 C ATOM 0 HA PRO A 27 -7.500 -10.964 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.841 -12.293 4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.096 -11.880 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.600 -10.609 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.803 -10.144 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.348 -8.733 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.566 -8.253 4.475 1.00 0.00 H new ATOM 448 N GLU A 28 -5.884 -12.921 5.857 1.00 0.00 N ATOM 449 CA GLU A 28 -4.630 -13.713 5.737 1.00 0.00 C ATOM 450 C GLU A 28 -4.404 -14.059 4.267 1.00 0.00 C ATOM 451 O GLU A 28 -3.310 -14.391 3.854 1.00 0.00 O ATOM 452 CB GLU A 28 -4.764 -15.001 6.548 1.00 0.00 C ATOM 453 CG GLU A 28 -4.959 -14.658 8.026 1.00 0.00 C ATOM 454 CD GLU A 28 -3.604 -14.673 8.737 1.00 0.00 C ATOM 455 OE1 GLU A 28 -3.072 -15.752 8.934 1.00 0.00 O ATOM 456 OE2 GLU A 28 -3.122 -13.603 9.072 1.00 0.00 O ATOM 0 H GLU A 28 -6.702 -13.446 6.166 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.787 -13.134 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.610 -15.585 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.874 -15.617 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.422 -13.676 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.634 -15.377 8.491 1.00 0.00 H new ATOM 463 N TYR A 29 -5.435 -13.978 3.473 1.00 0.00 N ATOM 464 CA TYR A 29 -5.293 -14.295 2.027 1.00 0.00 C ATOM 465 C TYR A 29 -5.075 -12.998 1.247 1.00 0.00 C ATOM 466 O TYR A 29 -5.179 -12.969 0.037 1.00 0.00 O ATOM 467 CB TYR A 29 -6.569 -14.977 1.531 1.00 0.00 C ATOM 468 CG TYR A 29 -7.757 -14.096 1.833 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.108 -13.067 0.950 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.505 -14.303 2.998 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.208 -12.247 1.232 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.605 -13.483 3.280 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.956 -12.456 2.397 1.00 0.00 C ATOM 474 OH TYR A 29 -11.039 -11.647 2.674 1.00 0.00 O ATOM 0 H TYR A 29 -6.373 -13.705 3.766 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.442 -14.960 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.503 -15.162 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.688 -15.946 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.531 -12.906 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.234 -15.095 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.479 -11.454 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.182 -13.643 4.179 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.448 -11.927 3.519 1.00 0.00 H new ATOM 484 N TYR A 30 -4.778 -11.924 1.931 1.00 0.00 N ATOM 485 CA TYR A 30 -4.557 -10.629 1.222 1.00 0.00 C ATOM 486 C TYR A 30 -3.715 -10.874 -0.030 1.00 0.00 C ATOM 487 O TYR A 30 -2.533 -11.147 0.050 1.00 0.00 O ATOM 488 CB TYR A 30 -3.829 -9.637 2.151 1.00 0.00 C ATOM 489 CG TYR A 30 -3.125 -8.568 1.329 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.706 -8.100 0.143 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.887 -8.059 1.747 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.052 -7.127 -0.623 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.233 -7.081 0.979 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.817 -6.618 -0.205 1.00 0.00 C ATOM 495 OH TYR A 30 -1.175 -5.660 -0.962 1.00 0.00 O ATOM 0 H TYR A 30 -4.679 -11.887 2.946 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.520 -10.206 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.544 -9.172 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.104 -10.169 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.660 -8.490 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.436 -8.419 2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.501 -6.769 -1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.281 -6.687 1.302 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.639 -5.085 -0.376 1.00 0.00 H new ATOM 505 N GLY A 31 -4.304 -10.753 -1.185 1.00 0.00 N ATOM 506 CA GLY A 31 -3.518 -10.952 -2.429 1.00 0.00 C ATOM 507 C GLY A 31 -2.470 -9.844 -2.509 1.00 0.00 C ATOM 508 O GLY A 31 -2.792 -8.681 -2.644 1.00 0.00 O ATOM 0 H GLY A 31 -5.289 -10.526 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.038 -11.931 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.171 -10.922 -3.301 1.00 0.00 H new ATOM 512 N GLU A 32 -1.217 -10.191 -2.411 1.00 0.00 N ATOM 513 CA GLU A 32 -0.147 -9.153 -2.461 1.00 0.00 C ATOM 514 C GLU A 32 -0.089 -8.503 -3.849 1.00 0.00 C ATOM 515 O GLU A 32 0.701 -7.615 -4.089 1.00 0.00 O ATOM 516 CB GLU A 32 1.199 -9.806 -2.147 1.00 0.00 C ATOM 517 CG GLU A 32 1.451 -10.955 -3.125 1.00 0.00 C ATOM 518 CD GLU A 32 1.920 -12.190 -2.353 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.113 -12.301 -2.121 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.079 -13.003 -2.007 1.00 0.00 O ATOM 0 H GLU A 32 -0.886 -11.149 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.369 -8.380 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.999 -9.069 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.204 -10.179 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.539 -11.183 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.203 -10.664 -3.858 1.00 0.00 H new ATOM 527 N ASN A 33 -0.918 -8.925 -4.763 1.00 0.00 N ATOM 528 CA ASN A 33 -0.893 -8.305 -6.123 1.00 0.00 C ATOM 529 C ASN A 33 -1.674 -6.992 -6.094 1.00 0.00 C ATOM 530 O ASN A 33 -2.424 -6.725 -5.180 1.00 0.00 O ATOM 531 CB ASN A 33 -1.516 -9.240 -7.179 1.00 0.00 C ATOM 532 CG ASN A 33 -2.210 -10.435 -6.519 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.587 -11.446 -6.260 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.480 -10.361 -6.233 1.00 0.00 N ATOM 0 H ASN A 33 -1.607 -9.666 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 33 0.147 -8.124 -6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.236 -8.685 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.740 -9.595 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.950 -11.151 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.003 -9.513 -6.450 1.00 0.00 H new ATOM 541 N LEU A 34 -1.507 -6.172 -7.094 1.00 0.00 N ATOM 542 CA LEU A 34 -2.244 -4.876 -7.135 1.00 0.00 C ATOM 543 C LEU A 34 -3.739 -5.151 -7.224 1.00 0.00 C ATOM 544 O LEU A 34 -4.549 -4.462 -6.651 1.00 0.00 O ATOM 545 CB LEU A 34 -1.825 -4.109 -8.379 1.00 0.00 C ATOM 546 CG LEU A 34 -0.400 -3.592 -8.209 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.019 -2.834 -9.469 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.342 -2.654 -7.003 1.00 0.00 C ATOM 0 H LEU A 34 -0.890 -6.343 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.020 -4.300 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.885 -4.756 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.506 -3.276 -8.551 1.00 0.00 H new ATOM 0 HG LEU A 34 0.278 -4.431 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.037 -2.464 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.025 -3.504 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.656 -1.993 -9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.675 -2.283 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.018 -1.814 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.642 -3.196 -6.106 1.00 0.00 H new ATOM 560 N ASP A 35 -4.097 -6.150 -7.962 1.00 0.00 N ATOM 561 CA ASP A 35 -5.530 -6.505 -8.131 1.00 0.00 C ATOM 562 C ASP A 35 -6.160 -6.813 -6.776 1.00 0.00 C ATOM 563 O ASP A 35 -7.311 -6.511 -6.526 1.00 0.00 O ATOM 564 CB ASP A 35 -5.604 -7.760 -8.984 1.00 0.00 C ATOM 565 CG ASP A 35 -5.225 -7.429 -10.428 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.026 -6.802 -11.102 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.139 -7.807 -10.836 1.00 0.00 O ATOM 0 H ASP A 35 -3.447 -6.751 -8.468 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.060 -5.673 -8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.931 -8.520 -8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.611 -8.176 -8.949 1.00 0.00 H new ATOM 572 N ALA A 36 -5.416 -7.428 -5.905 1.00 0.00 N ATOM 573 CA ALA A 36 -5.974 -7.778 -4.568 1.00 0.00 C ATOM 574 C ALA A 36 -5.959 -6.544 -3.689 1.00 0.00 C ATOM 575 O ALA A 36 -6.971 -6.124 -3.166 1.00 0.00 O ATOM 576 CB ALA A 36 -5.119 -8.859 -3.917 1.00 0.00 C ATOM 0 H ALA A 36 -4.446 -7.705 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.994 -8.145 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.532 -9.110 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.113 -9.748 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.099 -8.493 -3.797 1.00 0.00 H new ATOM 582 N LEU A 37 -4.812 -5.957 -3.542 1.00 0.00 N ATOM 583 CA LEU A 37 -4.698 -4.729 -2.717 1.00 0.00 C ATOM 584 C LEU A 37 -5.880 -3.830 -3.055 1.00 0.00 C ATOM 585 O LEU A 37 -6.610 -3.361 -2.200 1.00 0.00 O ATOM 586 CB LEU A 37 -3.391 -4.021 -3.079 1.00 0.00 C ATOM 587 CG LEU A 37 -3.461 -2.555 -2.646 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.507 -2.472 -1.119 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.227 -1.809 -3.160 1.00 0.00 C ATOM 0 H LEU A 37 -3.939 -6.277 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.699 -4.965 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.551 -4.515 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.217 -4.085 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.360 -2.099 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.557 -1.427 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.387 -3.000 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.610 -2.930 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.278 -0.765 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.328 -2.266 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.196 -1.864 -4.248 1.00 0.00 H new ATOM 601 N TRP A 38 -6.066 -3.609 -4.317 1.00 0.00 N ATOM 602 CA TRP A 38 -7.182 -2.774 -4.780 1.00 0.00 C ATOM 603 C TRP A 38 -8.473 -3.389 -4.302 1.00 0.00 C ATOM 604 O TRP A 38 -9.271 -2.762 -3.639 1.00 0.00 O ATOM 605 CB TRP A 38 -7.204 -2.756 -6.301 1.00 0.00 C ATOM 606 CG TRP A 38 -8.340 -1.913 -6.742 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.600 -2.347 -6.882 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.347 -0.507 -7.072 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.395 -1.290 -7.296 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.658 -0.129 -7.428 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.346 0.462 -7.099 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.959 1.181 -7.800 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.630 1.770 -7.463 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.938 2.140 -7.817 1.00 0.00 C ATOM 0 H TRP A 38 -5.475 -3.983 -5.060 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.066 -1.761 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.265 -2.361 -6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.309 -3.768 -6.691 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.940 -3.356 -6.702 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.396 -1.360 -7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.335 0.191 -6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.968 1.453 -8.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.841 2.508 -7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.156 3.159 -8.101 1.00 0.00 H new ATOM 625 N ASP A 39 -8.674 -4.626 -4.635 1.00 0.00 N ATOM 626 CA ASP A 39 -9.911 -5.317 -4.202 1.00 0.00 C ATOM 627 C ASP A 39 -10.167 -4.963 -2.740 1.00 0.00 C ATOM 628 O ASP A 39 -11.288 -4.953 -2.273 1.00 0.00 O ATOM 629 CB ASP A 39 -9.734 -6.826 -4.346 1.00 0.00 C ATOM 630 CG ASP A 39 -10.307 -7.283 -5.689 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.187 -6.608 -6.195 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.855 -8.301 -6.187 1.00 0.00 O ATOM 0 H ASP A 39 -8.032 -5.191 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.754 -5.004 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.677 -7.086 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.239 -7.341 -3.529 1.00 0.00 H new ATOM 637 N CYS A 40 -9.121 -4.660 -2.019 1.00 0.00 N ATOM 638 CA CYS A 40 -9.282 -4.291 -0.593 1.00 0.00 C ATOM 639 C CYS A 40 -9.717 -2.825 -0.484 1.00 0.00 C ATOM 640 O CYS A 40 -10.662 -2.503 0.208 1.00 0.00 O ATOM 641 CB CYS A 40 -7.947 -4.482 0.123 1.00 0.00 C ATOM 642 SG CYS A 40 -7.175 -6.020 -0.435 1.00 0.00 S ATOM 0 H CYS A 40 -8.161 -4.654 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.042 -4.924 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.289 -3.638 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.102 -4.511 1.202 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.045 -5.996 -1.728 1.00 0.00 H new ATOM 648 N LEU A 41 -9.034 -1.929 -1.151 1.00 0.00 N ATOM 649 CA LEU A 41 -9.403 -0.497 -1.069 1.00 0.00 C ATOM 650 C LEU A 41 -10.856 -0.292 -1.504 1.00 0.00 C ATOM 651 O LEU A 41 -11.640 0.331 -0.816 1.00 0.00 O ATOM 652 CB LEU A 41 -8.489 0.303 -1.996 1.00 0.00 C ATOM 653 CG LEU A 41 -7.038 -0.165 -1.851 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.141 0.736 -2.687 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.610 -0.091 -0.383 1.00 0.00 C ATOM 0 H LEU A 41 -8.234 -2.136 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.292 -0.160 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.815 0.184 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.560 1.365 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.953 -1.196 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.105 0.410 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.442 0.680 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.232 1.765 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.577 -0.425 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.692 0.937 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.256 -0.732 0.217 1.00 0.00 H new ATOM 667 N THR A 42 -11.209 -0.785 -2.656 1.00 0.00 N ATOM 668 CA THR A 42 -12.587 -0.599 -3.165 1.00 0.00 C ATOM 669 C THR A 42 -13.563 -1.558 -2.478 1.00 0.00 C ATOM 670 O THR A 42 -14.723 -1.621 -2.836 1.00 0.00 O ATOM 671 CB THR A 42 -12.602 -0.851 -4.675 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.007 -2.112 -4.949 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.817 0.254 -5.384 1.00 0.00 C ATOM 0 H THR A 42 -10.592 -1.315 -3.271 1.00 0.00 H new ATOM 0 HA THR A 42 -12.903 0.422 -2.949 1.00 0.00 H new ATOM 0 HB THR A 42 -13.631 -0.851 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.341 -2.012 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.827 0.075 -6.459 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.276 1.220 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.787 0.256 -5.026 1.00 0.00 H new ATOM 681 N GLY A 43 -13.128 -2.311 -1.500 1.00 0.00 N ATOM 682 CA GLY A 43 -14.088 -3.245 -0.839 1.00 0.00 C ATOM 683 C GLY A 43 -13.483 -3.905 0.408 1.00 0.00 C ATOM 684 O GLY A 43 -13.641 -5.092 0.617 1.00 0.00 O ATOM 0 H GLY A 43 -12.175 -2.321 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.990 -2.700 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.389 -4.017 -1.548 1.00 0.00 H new ATOM 688 N TRP A 44 -12.813 -3.165 1.252 1.00 0.00 N ATOM 689 CA TRP A 44 -12.243 -3.793 2.477 1.00 0.00 C ATOM 690 C TRP A 44 -11.655 -2.720 3.392 1.00 0.00 C ATOM 691 O TRP A 44 -12.195 -2.411 4.436 1.00 0.00 O ATOM 692 CB TRP A 44 -11.143 -4.775 2.084 1.00 0.00 C ATOM 693 CG TRP A 44 -10.580 -5.402 3.318 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.467 -4.981 3.961 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.081 -6.545 4.071 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.252 -5.793 5.060 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.220 -6.772 5.171 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.188 -7.398 3.909 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.448 -7.808 6.077 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.420 -8.442 4.819 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.552 -8.646 5.901 1.00 0.00 C ATOM 0 H TRP A 44 -12.638 -2.166 1.148 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.037 -4.321 3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.544 -5.543 1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.357 -4.258 1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.848 -4.147 3.665 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.473 -5.682 5.709 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.864 -7.249 3.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.776 -7.961 6.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.272 -9.092 4.685 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.737 -9.450 6.598 1.00 0.00 H new ATOM 712 N VAL A 45 -10.545 -2.161 3.011 1.00 0.00 N ATOM 713 CA VAL A 45 -9.898 -1.119 3.851 1.00 0.00 C ATOM 714 C VAL A 45 -10.936 -0.095 4.310 1.00 0.00 C ATOM 715 O VAL A 45 -11.862 0.229 3.593 1.00 0.00 O ATOM 716 CB VAL A 45 -8.818 -0.413 3.034 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.005 0.503 3.949 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.896 -1.458 2.404 1.00 0.00 C ATOM 0 H VAL A 45 -10.053 -2.383 2.146 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.452 -1.591 4.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.283 0.182 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.234 1.007 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.664 1.246 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.537 -0.090 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.124 -0.957 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.429 -2.052 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.477 -2.111 1.753 1.00 0.00 H new ATOM 728 N GLU A 46 -10.782 0.425 5.497 1.00 0.00 N ATOM 729 CA GLU A 46 -11.752 1.437 5.995 1.00 0.00 C ATOM 730 C GLU A 46 -11.196 2.834 5.728 1.00 0.00 C ATOM 731 O GLU A 46 -10.062 3.135 6.044 1.00 0.00 O ATOM 732 CB GLU A 46 -11.970 1.256 7.496 1.00 0.00 C ATOM 733 CG GLU A 46 -12.729 -0.049 7.749 1.00 0.00 C ATOM 734 CD GLU A 46 -12.406 -0.564 9.153 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.280 -0.382 9.585 1.00 0.00 O ATOM 736 OE2 GLU A 46 -13.290 -1.132 9.772 1.00 0.00 O ATOM 0 H GLU A 46 -10.027 0.192 6.142 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.704 1.311 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.011 1.237 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.532 2.099 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.802 0.117 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.451 -0.794 7.004 1.00 0.00 H new ATOM 743 N TYR A 47 -11.988 3.685 5.145 1.00 0.00 N ATOM 744 CA TYR A 47 -11.522 5.067 4.842 1.00 0.00 C ATOM 745 C TYR A 47 -12.336 6.058 5.687 1.00 0.00 C ATOM 746 O TYR A 47 -13.322 5.670 6.282 1.00 0.00 O ATOM 747 CB TYR A 47 -11.729 5.326 3.343 1.00 0.00 C ATOM 748 CG TYR A 47 -10.750 4.496 2.531 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.667 3.851 3.152 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.927 4.366 1.150 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.775 3.089 2.392 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.036 3.598 0.397 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.960 2.961 1.017 1.00 0.00 C ATOM 754 OH TYR A 47 -8.083 2.202 0.271 1.00 0.00 O ATOM 0 H TYR A 47 -12.947 3.483 4.862 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.466 5.190 5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.752 5.076 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.588 6.385 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.524 3.944 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.755 4.861 0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.941 2.599 2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.180 3.497 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.176 2.561 0.367 1.00 0.00 H new ATOM 764 N PRO A 48 -11.912 7.305 5.741 1.00 0.00 N ATOM 765 CA PRO A 48 -10.714 7.817 5.030 1.00 0.00 C ATOM 766 C PRO A 48 -9.433 7.115 5.485 1.00 0.00 C ATOM 767 O PRO A 48 -9.197 6.917 6.660 1.00 0.00 O ATOM 768 CB PRO A 48 -10.649 9.307 5.397 1.00 0.00 C ATOM 769 CG PRO A 48 -11.838 9.616 6.339 1.00 0.00 C ATOM 770 CD PRO A 48 -12.625 8.315 6.542 1.00 0.00 C ATOM 0 HA PRO A 48 -10.791 7.641 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.703 9.539 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.702 9.924 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.479 9.998 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.477 10.386 5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.656 8.033 7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.658 8.423 6.211 1.00 0.00 H new ATOM 778 N LEU A 49 -8.600 6.749 4.548 1.00 0.00 N ATOM 779 CA LEU A 49 -7.321 6.069 4.893 1.00 0.00 C ATOM 780 C LEU A 49 -6.167 7.004 4.556 1.00 0.00 C ATOM 781 O LEU A 49 -6.289 7.884 3.735 1.00 0.00 O ATOM 782 CB LEU A 49 -7.187 4.784 4.052 1.00 0.00 C ATOM 783 CG LEU A 49 -5.709 4.404 3.843 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.124 3.833 5.137 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.602 3.360 2.728 1.00 0.00 C ATOM 0 H LEU A 49 -8.754 6.894 3.550 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.306 5.817 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.708 3.966 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.668 4.928 3.085 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.149 5.296 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.079 3.568 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.192 4.580 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.684 2.944 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.556 3.091 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.169 2.472 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.005 3.773 1.803 1.00 0.00 H new ATOM 797 N VAL A 50 -5.035 6.785 5.146 1.00 0.00 N ATOM 798 CA VAL A 50 -3.857 7.620 4.816 1.00 0.00 C ATOM 799 C VAL A 50 -2.751 6.676 4.342 1.00 0.00 C ATOM 800 O VAL A 50 -2.601 5.589 4.853 1.00 0.00 O ATOM 801 CB VAL A 50 -3.415 8.423 6.062 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.007 8.016 6.523 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.406 9.913 5.720 1.00 0.00 C ATOM 0 H VAL A 50 -4.873 6.061 5.846 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.090 8.342 4.033 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.118 8.212 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.728 8.600 7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.999 6.956 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.293 8.203 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.095 10.485 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.709 10.094 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.407 10.224 5.420 1.00 0.00 H new ATOM 813 N LEU A 51 -1.966 7.072 3.391 1.00 0.00 N ATOM 814 CA LEU A 51 -0.870 6.177 2.948 1.00 0.00 C ATOM 815 C LEU A 51 0.435 6.943 3.083 1.00 0.00 C ATOM 816 O LEU A 51 0.951 7.495 2.131 1.00 0.00 O ATOM 817 CB LEU A 51 -1.063 5.723 1.498 1.00 0.00 C ATOM 818 CG LEU A 51 0.112 4.822 1.110 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.087 3.562 1.970 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.004 4.413 -0.355 1.00 0.00 C ATOM 0 H LEU A 51 -2.032 7.966 2.904 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.863 5.279 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.005 5.184 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.113 6.586 0.834 1.00 0.00 H new ATOM 0 HG LEU A 51 1.042 5.369 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.923 2.918 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.170 3.837 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.850 3.029 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.836 3.772 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.937 3.871 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.005 5.304 -0.983 1.00 0.00 H new ATOM 832 N GLU A 52 0.968 6.985 4.269 1.00 0.00 N ATOM 833 CA GLU A 52 2.237 7.717 4.481 1.00 0.00 C ATOM 834 C GLU A 52 3.369 6.846 3.957 1.00 0.00 C ATOM 835 O GLU A 52 3.979 6.078 4.679 1.00 0.00 O ATOM 836 CB GLU A 52 2.420 7.990 5.975 1.00 0.00 C ATOM 837 CG GLU A 52 3.864 8.419 6.245 1.00 0.00 C ATOM 838 CD GLU A 52 3.980 8.948 7.675 1.00 0.00 C ATOM 839 OE1 GLU A 52 4.223 8.149 8.564 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.823 10.144 7.858 1.00 0.00 O ATOM 0 H GLU A 52 0.577 6.542 5.100 1.00 0.00 H new ATOM 0 HA GLU A 52 2.230 8.672 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.731 8.770 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.182 7.095 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.538 7.574 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.164 9.190 5.535 1.00 0.00 H new ATOM 847 N TRP A 53 3.629 6.940 2.686 1.00 0.00 N ATOM 848 CA TRP A 53 4.694 6.108 2.087 1.00 0.00 C ATOM 849 C TRP A 53 6.068 6.681 2.436 1.00 0.00 C ATOM 850 O TRP A 53 6.475 7.704 1.922 1.00 0.00 O ATOM 851 CB TRP A 53 4.522 6.070 0.571 1.00 0.00 C ATOM 852 CG TRP A 53 5.116 4.801 0.080 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.400 4.435 0.283 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.488 3.716 -0.665 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.605 3.198 -0.283 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.461 2.713 -0.881 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.188 3.501 -1.172 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.165 1.544 -1.566 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.887 2.316 -1.872 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.876 1.340 -2.066 1.00 0.00 C ATOM 0 H TRP A 53 3.146 7.561 2.037 1.00 0.00 H new ATOM 0 HA TRP A 53 4.621 5.096 2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.467 6.126 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.014 6.926 0.109 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.144 5.018 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.495 2.700 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.422 4.247 -1.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.928 0.794 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.892 2.158 -2.261 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.641 0.432 -2.601 1.00 0.00 H new ATOM 871 N ARG A 54 6.789 6.024 3.304 1.00 0.00 N ATOM 872 CA ARG A 54 8.140 6.524 3.684 1.00 0.00 C ATOM 873 C ARG A 54 9.183 5.900 2.754 1.00 0.00 C ATOM 874 O ARG A 54 9.284 4.695 2.641 1.00 0.00 O ATOM 875 CB ARG A 54 8.443 6.127 5.131 1.00 0.00 C ATOM 876 CG ARG A 54 9.218 7.252 5.819 1.00 0.00 C ATOM 877 CD ARG A 54 9.916 6.702 7.065 1.00 0.00 C ATOM 878 NE ARG A 54 11.210 6.076 6.674 1.00 0.00 N ATOM 879 CZ ARG A 54 12.106 5.807 7.584 1.00 0.00 C ATOM 880 NH1 ARG A 54 12.900 6.748 8.017 1.00 0.00 N ATOM 881 NH2 ARG A 54 12.208 4.596 8.060 1.00 0.00 N ATOM 0 H ARG A 54 6.500 5.162 3.766 1.00 0.00 H new ATOM 0 HA ARG A 54 8.170 7.610 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.514 5.930 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.024 5.205 5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.953 7.674 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.540 8.059 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.090 7.505 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.279 5.968 7.558 1.00 0.00 H new ATOM 0 HE ARG A 54 11.396 5.858 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.820 7.694 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.600 6.537 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.588 3.861 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.908 4.385 8.771 1.00 0.00 H new ATOM 895 N GLN A 55 9.956 6.709 2.082 1.00 0.00 N ATOM 896 CA GLN A 55 10.983 6.153 1.157 1.00 0.00 C ATOM 897 C GLN A 55 10.286 5.328 0.074 1.00 0.00 C ATOM 898 O GLN A 55 9.741 4.275 0.338 1.00 0.00 O ATOM 899 CB GLN A 55 11.949 5.262 1.941 1.00 0.00 C ATOM 900 CG GLN A 55 12.893 6.138 2.767 1.00 0.00 C ATOM 901 CD GLN A 55 14.181 5.367 3.061 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.205 4.507 3.918 1.00 0.00 O ATOM 903 NE2 GLN A 55 15.261 5.640 2.380 1.00 0.00 N ATOM 0 H GLN A 55 9.921 7.727 2.133 1.00 0.00 H new ATOM 0 HA GLN A 55 11.542 6.967 0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.392 4.591 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.522 4.637 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.122 7.056 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.411 6.431 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.241 6.362 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.125 5.131 2.568 1.00 0.00 H new ATOM 912 N PHE A 56 10.291 5.801 -1.143 1.00 0.00 N ATOM 913 CA PHE A 56 9.618 5.046 -2.237 1.00 0.00 C ATOM 914 C PHE A 56 10.668 4.387 -3.136 1.00 0.00 C ATOM 915 O PHE A 56 10.728 3.178 -3.247 1.00 0.00 O ATOM 916 CB PHE A 56 8.766 6.008 -3.064 1.00 0.00 C ATOM 917 CG PHE A 56 7.591 5.263 -3.647 1.00 0.00 C ATOM 918 CD1 PHE A 56 7.769 3.980 -4.174 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.324 5.858 -3.664 1.00 0.00 C ATOM 920 CE1 PHE A 56 6.682 3.291 -4.719 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.235 5.168 -4.209 1.00 0.00 C ATOM 922 CZ PHE A 56 5.414 3.884 -4.736 1.00 0.00 C ATOM 0 H PHE A 56 10.732 6.676 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 56 8.983 4.273 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.416 6.830 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.365 6.447 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.747 3.521 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.187 6.849 -3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.820 2.301 -5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.257 5.626 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.574 3.351 -5.156 1.00 0.00 H new ATOM 932 N GLU A 57 11.496 5.164 -3.779 1.00 0.00 N ATOM 933 CA GLU A 57 12.536 4.564 -4.662 1.00 0.00 C ATOM 934 C GLU A 57 13.255 3.456 -3.896 1.00 0.00 C ATOM 935 O GLU A 57 13.483 2.378 -4.406 1.00 0.00 O ATOM 936 CB GLU A 57 13.548 5.634 -5.068 1.00 0.00 C ATOM 937 CG GLU A 57 12.867 6.674 -5.959 1.00 0.00 C ATOM 938 CD GLU A 57 12.690 7.978 -5.180 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.523 8.257 -4.333 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.725 8.676 -5.443 1.00 0.00 O ATOM 0 H GLU A 57 11.498 6.183 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 57 12.066 4.156 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.960 6.115 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.383 5.176 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.466 6.851 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.898 6.303 -6.293 1.00 0.00 H new ATOM 947 N GLN A 58 13.609 3.718 -2.669 1.00 0.00 N ATOM 948 CA GLN A 58 14.300 2.694 -1.856 1.00 0.00 C ATOM 949 C GLN A 58 13.341 1.531 -1.621 1.00 0.00 C ATOM 950 O GLN A 58 13.733 0.385 -1.591 1.00 0.00 O ATOM 951 CB GLN A 58 14.714 3.302 -0.515 1.00 0.00 C ATOM 952 CG GLN A 58 15.729 4.422 -0.752 1.00 0.00 C ATOM 953 CD GLN A 58 17.131 3.823 -0.882 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.378 2.722 -0.431 1.00 0.00 O ATOM 955 NE2 GLN A 58 18.066 4.507 -1.483 1.00 0.00 N ATOM 0 H GLN A 58 13.445 4.607 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 58 15.191 2.340 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.839 3.694 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.147 2.534 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.473 4.974 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.701 5.133 0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.858 5.431 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.004 4.117 -1.574 1.00 0.00 H new ATOM 964 N SER A 59 12.078 1.825 -1.463 1.00 0.00 N ATOM 965 CA SER A 59 11.079 0.743 -1.241 1.00 0.00 C ATOM 966 C SER A 59 10.572 0.238 -2.599 1.00 0.00 C ATOM 967 O SER A 59 9.689 -0.592 -2.674 1.00 0.00 O ATOM 968 CB SER A 59 9.905 1.291 -0.426 1.00 0.00 C ATOM 969 OG SER A 59 8.776 1.458 -1.274 1.00 0.00 O ATOM 0 H SER A 59 11.696 2.770 -1.478 1.00 0.00 H new ATOM 0 HA SER A 59 11.543 -0.079 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.664 0.608 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.177 2.244 0.027 1.00 0.00 H new ATOM 0 HG SER A 59 8.036 0.905 -0.947 1.00 0.00 H new ATOM 975 N LYS A 60 11.129 0.736 -3.670 1.00 0.00 N ATOM 976 CA LYS A 60 10.690 0.294 -5.023 1.00 0.00 C ATOM 977 C LYS A 60 11.667 -0.761 -5.572 1.00 0.00 C ATOM 978 O LYS A 60 11.263 -1.756 -6.139 1.00 0.00 O ATOM 979 CB LYS A 60 10.635 1.529 -5.948 1.00 0.00 C ATOM 980 CG LYS A 60 11.137 1.194 -7.361 1.00 0.00 C ATOM 981 CD LYS A 60 10.789 2.340 -8.313 1.00 0.00 C ATOM 982 CE LYS A 60 11.511 2.134 -9.645 1.00 0.00 C ATOM 983 NZ LYS A 60 10.964 3.080 -10.659 1.00 0.00 N ATOM 0 H LYS A 60 11.873 1.434 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 60 9.701 -0.161 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.611 1.899 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.242 2.330 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.215 1.034 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.682 0.267 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.712 2.379 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.080 3.294 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.581 2.298 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.383 1.106 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.455 2.940 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.947 2.903 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.108 4.058 -10.335 1.00 0.00 H new ATOM 997 N GLN A 61 12.945 -0.539 -5.431 1.00 0.00 N ATOM 998 CA GLN A 61 13.936 -1.512 -5.971 1.00 0.00 C ATOM 999 C GLN A 61 13.909 -2.831 -5.186 1.00 0.00 C ATOM 1000 O GLN A 61 13.683 -3.886 -5.734 1.00 0.00 O ATOM 1001 CB GLN A 61 15.337 -0.904 -5.880 1.00 0.00 C ATOM 1002 CG GLN A 61 15.616 -0.071 -7.133 1.00 0.00 C ATOM 1003 CD GLN A 61 16.607 -0.816 -8.030 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.626 -0.274 -8.410 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.349 -2.044 -8.387 1.00 0.00 N ATOM 0 H GLN A 61 13.346 0.275 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 61 13.677 -1.724 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.416 -0.279 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.082 -1.694 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.688 0.114 -7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.022 0.901 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.494 -2.499 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.003 -2.549 -8.985 1.00 0.00 H new ATOM 1014 N LEU A 62 14.183 -2.766 -3.917 1.00 0.00 N ATOM 1015 CA LEU A 62 14.229 -3.999 -3.051 1.00 0.00 C ATOM 1016 C LEU A 62 13.186 -5.050 -3.471 1.00 0.00 C ATOM 1017 O LEU A 62 13.350 -6.222 -3.194 1.00 0.00 O ATOM 1018 CB LEU A 62 13.946 -3.646 -1.577 1.00 0.00 C ATOM 1019 CG LEU A 62 13.635 -2.158 -1.410 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.406 -1.800 -2.250 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.344 -1.865 0.064 1.00 0.00 C ATOM 0 H LEU A 62 14.383 -1.897 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 62 15.232 -4.408 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.106 -4.238 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.809 -3.910 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 62 14.489 -1.566 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.182 -0.740 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.607 -2.015 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.553 -2.390 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.122 -0.805 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.488 -2.456 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.215 -2.125 0.666 1.00 0.00 H new ATOM 1033 N THR A 63 12.102 -4.663 -4.084 1.00 0.00 N ATOM 1034 CA THR A 63 11.061 -5.674 -4.444 1.00 0.00 C ATOM 1035 C THR A 63 11.115 -6.014 -5.939 1.00 0.00 C ATOM 1036 O THR A 63 10.107 -6.314 -6.544 1.00 0.00 O ATOM 1037 CB THR A 63 9.663 -5.139 -4.058 1.00 0.00 C ATOM 1038 OG1 THR A 63 8.850 -5.010 -5.214 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.776 -3.779 -3.358 1.00 0.00 C ATOM 0 H THR A 63 11.890 -3.701 -4.350 1.00 0.00 H new ATOM 0 HA THR A 63 11.259 -6.591 -3.889 1.00 0.00 H new ATOM 0 HB THR A 63 9.206 -5.852 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.792 -5.875 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.780 -3.421 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.374 -3.884 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.254 -3.064 -4.028 1.00 0.00 H new ATOM 1047 N GLU A 64 12.295 -6.017 -6.516 1.00 0.00 N ATOM 1048 CA GLU A 64 12.456 -6.365 -7.961 1.00 0.00 C ATOM 1049 C GLU A 64 11.182 -6.034 -8.743 1.00 0.00 C ATOM 1050 O GLU A 64 10.763 -6.772 -9.612 1.00 0.00 O ATOM 1051 CB GLU A 64 12.761 -7.852 -8.060 1.00 0.00 C ATOM 1052 CG GLU A 64 13.587 -8.125 -9.318 1.00 0.00 C ATOM 1053 CD GLU A 64 14.707 -9.114 -8.989 1.00 0.00 C ATOM 1054 OE1 GLU A 64 15.158 -9.112 -7.855 1.00 0.00 O ATOM 1055 OE2 GLU A 64 15.096 -9.855 -9.877 1.00 0.00 O ATOM 0 H GLU A 64 13.166 -5.789 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 64 13.271 -5.783 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.307 -8.181 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.833 -8.422 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.949 -8.530 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.009 -7.195 -9.698 1.00 0.00 H new ATOM 1062 N ASN A 65 10.562 -4.932 -8.428 1.00 0.00 N ATOM 1063 CA ASN A 65 9.311 -4.547 -9.134 1.00 0.00 C ATOM 1064 C ASN A 65 9.082 -3.048 -8.954 1.00 0.00 C ATOM 1065 O ASN A 65 8.951 -2.312 -9.912 1.00 0.00 O ATOM 1066 CB ASN A 65 8.131 -5.321 -8.542 1.00 0.00 C ATOM 1067 CG ASN A 65 6.822 -4.780 -9.120 1.00 0.00 C ATOM 1068 OD1 ASN A 65 6.236 -3.866 -8.575 1.00 0.00 O ATOM 1069 ND2 ASN A 65 6.335 -5.311 -10.207 1.00 0.00 N ATOM 0 H ASN A 65 10.870 -4.279 -7.708 1.00 0.00 H new ATOM 0 HA ASN A 65 9.397 -4.782 -10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.229 -6.383 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.128 -5.225 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.462 -4.959 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.827 -6.078 -10.664 1.00 0.00 H new ATOM 1076 N GLY A 66 9.039 -2.583 -7.733 1.00 0.00 N ATOM 1077 CA GLY A 66 8.827 -1.132 -7.508 1.00 0.00 C ATOM 1078 C GLY A 66 7.390 -0.885 -7.058 1.00 0.00 C ATOM 1079 O GLY A 66 6.460 -0.902 -7.839 1.00 0.00 O ATOM 0 H GLY A 66 9.141 -3.146 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.523 -0.766 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.031 -0.579 -8.425 1.00 0.00 H new ATOM 1083 N ALA A 67 7.220 -0.652 -5.794 1.00 0.00 N ATOM 1084 CA ALA A 67 5.877 -0.390 -5.225 1.00 0.00 C ATOM 1085 C ALA A 67 5.120 0.652 -6.054 1.00 0.00 C ATOM 1086 O ALA A 67 3.917 0.769 -5.952 1.00 0.00 O ATOM 1087 CB ALA A 67 6.080 0.143 -3.823 1.00 0.00 C ATOM 0 H ALA A 67 7.978 -0.632 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 67 5.291 -1.309 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.111 0.349 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.611 -0.598 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.664 1.062 -3.864 1.00 0.00 H new ATOM 1093 N GLU A 68 5.820 1.420 -6.850 1.00 0.00 N ATOM 1094 CA GLU A 68 5.160 2.472 -7.683 1.00 0.00 C ATOM 1095 C GLU A 68 3.760 2.018 -8.102 1.00 0.00 C ATOM 1096 O GLU A 68 2.839 2.804 -8.191 1.00 0.00 O ATOM 1097 CB GLU A 68 6.002 2.710 -8.934 1.00 0.00 C ATOM 1098 CG GLU A 68 6.477 4.158 -8.951 1.00 0.00 C ATOM 1099 CD GLU A 68 5.358 5.059 -9.477 1.00 0.00 C ATOM 1100 OE1 GLU A 68 5.270 5.218 -10.683 1.00 0.00 O ATOM 1101 OE2 GLU A 68 4.609 5.575 -8.664 1.00 0.00 O ATOM 0 H GLU A 68 6.832 1.362 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 68 5.075 3.389 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.857 2.034 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.415 2.497 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.766 4.468 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.361 4.254 -9.581 1.00 0.00 H new ATOM 1108 N SER A 69 3.599 0.752 -8.359 1.00 0.00 N ATOM 1109 CA SER A 69 2.264 0.232 -8.772 1.00 0.00 C ATOM 1110 C SER A 69 1.299 0.269 -7.581 1.00 0.00 C ATOM 1111 O SER A 69 0.214 0.811 -7.666 1.00 0.00 O ATOM 1112 CB SER A 69 2.415 -1.207 -9.261 1.00 0.00 C ATOM 1113 OG SER A 69 1.809 -1.334 -10.540 1.00 0.00 O ATOM 0 H SER A 69 4.337 0.050 -8.301 1.00 0.00 H new ATOM 0 HA SER A 69 1.865 0.854 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.470 -1.475 -9.317 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.949 -1.894 -8.555 1.00 0.00 H new ATOM 0 HG SER A 69 2.080 -2.183 -10.947 1.00 0.00 H new ATOM 1119 N VAL A 70 1.687 -0.297 -6.469 1.00 0.00 N ATOM 1120 CA VAL A 70 0.799 -0.288 -5.277 1.00 0.00 C ATOM 1121 C VAL A 70 0.319 1.139 -5.051 1.00 0.00 C ATOM 1122 O VAL A 70 -0.847 1.393 -4.816 1.00 0.00 O ATOM 1123 CB VAL A 70 1.591 -0.767 -4.060 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.728 -0.648 -2.806 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.997 -2.228 -4.261 1.00 0.00 C ATOM 0 H VAL A 70 2.583 -0.766 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.055 -0.948 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 70 2.483 -0.152 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.295 -0.990 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.438 0.393 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.166 -1.262 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.562 -2.571 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.103 -2.841 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.615 -2.314 -5.154 1.00 0.00 H new ATOM 1135 N LEU A 71 1.215 2.077 -5.148 1.00 0.00 N ATOM 1136 CA LEU A 71 0.821 3.498 -4.969 1.00 0.00 C ATOM 1137 C LEU A 71 -0.184 3.851 -6.054 1.00 0.00 C ATOM 1138 O LEU A 71 -1.142 4.546 -5.822 1.00 0.00 O ATOM 1139 CB LEU A 71 2.045 4.387 -5.124 1.00 0.00 C ATOM 1140 CG LEU A 71 1.614 5.855 -5.162 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.209 6.307 -3.758 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.778 6.715 -5.658 1.00 0.00 C ATOM 0 H LEU A 71 2.204 1.921 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 71 0.388 3.646 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.734 4.221 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.579 4.131 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 71 0.765 5.966 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.902 7.353 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.379 5.695 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.056 6.196 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.472 7.761 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.627 6.603 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.066 6.395 -6.659 1.00 0.00 H new ATOM 1154 N GLN A 72 0.035 3.366 -7.243 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.907 3.655 -8.358 1.00 0.00 C ATOM 1156 C GLN A 72 -2.293 3.159 -7.963 1.00 0.00 C ATOM 1157 O GLN A 72 -3.303 3.707 -8.355 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.396 2.941 -9.632 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.410 1.917 -10.169 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.509 2.638 -10.954 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -3.269 2.011 -11.666 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -2.630 3.935 -10.859 1.00 0.00 N ATOM 0 H GLN A 72 0.831 2.778 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.966 4.725 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.187 3.682 -10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.545 2.437 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.906 1.195 -10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.848 1.358 -9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.994 4.464 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.361 4.419 -11.381 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.336 2.111 -7.203 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.629 1.546 -6.777 1.00 0.00 C ATOM 1173 C VAL A 73 -4.189 2.369 -5.619 1.00 0.00 C ATOM 1174 O VAL A 73 -5.384 2.501 -5.469 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.395 0.108 -6.344 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.625 -0.442 -5.621 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.088 -0.726 -7.592 1.00 0.00 C ATOM 0 H VAL A 73 -1.515 1.616 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.349 1.572 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.556 0.061 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.439 -1.473 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.829 0.164 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.485 -0.410 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.917 -1.763 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.932 -0.676 -8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.197 -0.334 -8.082 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.343 2.922 -4.795 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.866 3.735 -3.658 1.00 0.00 C ATOM 1189 C PHE A 74 -4.391 5.078 -4.192 1.00 0.00 C ATOM 1190 O PHE A 74 -5.378 5.611 -3.718 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.749 3.977 -2.639 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.802 2.905 -1.579 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.800 2.942 -0.599 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.858 1.872 -1.581 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.853 1.946 0.381 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.911 0.875 -0.599 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.909 0.912 0.381 1.00 0.00 C ATOM 0 H PHE A 74 -2.327 2.849 -4.856 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.680 3.199 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.779 3.966 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.863 4.961 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.529 3.739 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.089 1.844 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.622 1.974 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.182 0.078 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.951 0.143 1.138 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.745 5.615 -5.189 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.184 6.904 -5.773 1.00 0.00 C ATOM 1209 C ARG A 75 -5.344 6.644 -6.718 1.00 0.00 C ATOM 1210 O ARG A 75 -6.267 7.421 -6.813 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.034 7.521 -6.555 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.252 8.480 -5.657 1.00 0.00 C ATOM 1213 CD ARG A 75 -3.015 9.800 -5.538 1.00 0.00 C ATOM 1214 NE ARG A 75 -3.433 10.256 -6.894 1.00 0.00 N ATOM 1215 CZ ARG A 75 -4.349 11.177 -7.020 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -4.139 12.375 -6.547 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -5.475 10.899 -7.619 1.00 0.00 N ATOM 0 H ARG A 75 -2.920 5.206 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.492 7.584 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.374 6.738 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.418 8.054 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.111 8.039 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.260 8.657 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.890 9.671 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.386 10.555 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.003 9.848 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.259 12.591 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.855 13.095 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.639 9.962 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.191 11.618 -7.718 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.302 5.540 -7.408 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.406 5.193 -8.336 1.00 0.00 C ATOM 1233 C GLU A 76 -7.658 5.014 -7.491 1.00 0.00 C ATOM 1234 O GLU A 76 -8.703 5.558 -7.780 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.071 3.883 -9.032 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.433 4.148 -10.394 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.529 4.286 -11.453 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.141 3.282 -11.778 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.736 5.393 -11.921 1.00 0.00 O ATOM 0 H GLU A 76 -4.543 4.860 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.553 5.968 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.390 3.299 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.976 3.289 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.833 5.057 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.759 3.332 -10.657 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.538 4.274 -6.419 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.691 4.087 -5.520 1.00 0.00 C ATOM 1248 C ALA A 77 -9.038 5.464 -4.980 1.00 0.00 C ATOM 1249 O ALA A 77 -10.189 5.824 -4.840 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.323 3.146 -4.368 1.00 0.00 C ATOM 0 H ALA A 77 -6.684 3.794 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.534 3.642 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.185 3.018 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.026 2.177 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.496 3.572 -3.800 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.037 6.266 -4.719 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.316 7.642 -4.245 1.00 0.00 C ATOM 1258 C LYS A 78 -9.185 8.304 -5.304 1.00 0.00 C ATOM 1259 O LYS A 78 -10.044 9.117 -5.025 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.003 8.407 -4.137 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.976 9.208 -2.833 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.074 10.702 -3.149 1.00 0.00 C ATOM 1263 CE LYS A 78 -5.707 11.358 -2.944 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.710 12.714 -3.561 1.00 0.00 N ATOM 0 H LYS A 78 -7.050 6.025 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.809 7.633 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.163 7.712 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.891 9.078 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.804 8.906 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.056 9.001 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.408 10.846 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.816 11.173 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.483 11.431 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.926 10.744 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.781 13.161 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.906 12.632 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.445 13.298 -3.113 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.946 7.936 -6.530 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.712 8.490 -7.667 1.00 0.00 C ATOM 1280 C ALA A 79 -11.134 7.931 -7.634 1.00 0.00 C ATOM 1281 O ALA A 79 -12.093 8.605 -7.956 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.022 8.062 -8.961 1.00 0.00 C ATOM 0 H ALA A 79 -8.232 7.256 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.754 9.578 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.571 8.460 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.002 8.446 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.000 6.974 -9.019 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.267 6.697 -7.241 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.603 6.056 -7.169 1.00 0.00 C ATOM 1290 C GLU A 80 -13.544 6.909 -6.319 1.00 0.00 C ATOM 1291 O GLU A 80 -14.748 6.757 -6.363 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.444 4.679 -6.522 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.024 3.662 -7.578 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.267 3.072 -8.246 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.784 3.703 -9.153 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.681 1.999 -7.839 1.00 0.00 O ATOM 0 H GLU A 80 -10.491 6.097 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.021 5.959 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.698 4.723 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.383 4.372 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.389 4.139 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.434 2.869 -7.119 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.001 7.792 -5.531 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.853 8.642 -4.658 1.00 0.00 C ATOM 1305 C GLY A 81 -13.480 8.360 -3.205 1.00 0.00 C ATOM 1306 O GLY A 81 -13.797 9.117 -2.308 1.00 0.00 O ATOM 0 H GLY A 81 -11.998 7.962 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.703 9.696 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.907 8.425 -4.829 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.796 7.272 -2.972 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.381 6.926 -1.591 1.00 0.00 C ATOM 1312 C CYS A 82 -11.561 8.077 -1.009 1.00 0.00 C ATOM 1313 O CYS A 82 -11.056 8.915 -1.729 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.528 5.659 -1.635 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.604 4.203 -1.595 1.00 0.00 S ATOM 0 H CYS A 82 -12.507 6.606 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.259 6.757 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.919 5.649 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.842 5.640 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.293 3.461 -0.574 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.425 8.130 0.285 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.639 9.232 0.901 1.00 0.00 C ATOM 1323 C ASP A 83 -9.293 8.694 1.393 1.00 0.00 C ATOM 1324 O ASP A 83 -9.001 8.710 2.573 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.423 9.813 2.077 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.838 11.173 2.461 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.987 11.657 1.733 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.251 11.709 3.476 1.00 0.00 O ATOM 0 H ASP A 83 -11.823 7.459 0.942 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.461 10.012 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.474 9.920 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.379 9.133 2.928 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.468 8.224 0.497 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.138 7.694 0.914 1.00 0.00 C ATOM 1335 C ILE A 84 -6.097 8.814 0.818 1.00 0.00 C ATOM 1336 O ILE A 84 -5.373 8.919 -0.152 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.719 6.558 -0.010 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.602 5.343 0.240 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.262 6.197 0.276 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.098 4.815 -1.101 1.00 0.00 C ATOM 0 H ILE A 84 -8.657 8.184 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.206 7.326 1.938 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.826 6.871 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.041 4.570 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.446 5.613 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.953 5.384 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.630 7.067 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.162 5.882 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.732 3.944 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.671 5.591 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.245 4.532 -1.718 1.00 0.00 H new ATOM 1352 N THR A 85 -6.013 9.647 1.814 1.00 0.00 N ATOM 1353 CA THR A 85 -5.017 10.754 1.780 1.00 0.00 C ATOM 1354 C THR A 85 -3.635 10.183 1.452 1.00 0.00 C ATOM 1355 O THR A 85 -2.925 9.713 2.319 1.00 0.00 O ATOM 1356 CB THR A 85 -4.980 11.446 3.148 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.131 12.266 3.291 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.721 12.309 3.261 1.00 0.00 C ATOM 0 H THR A 85 -6.592 9.610 2.653 1.00 0.00 H new ATOM 0 HA THR A 85 -5.298 11.479 1.016 1.00 0.00 H new ATOM 0 HB THR A 85 -4.967 10.691 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.111 12.708 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.701 12.798 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.838 11.680 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.726 13.065 2.476 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.249 10.221 0.207 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.914 9.683 -0.175 1.00 0.00 C ATOM 1368 C ILE A 86 -0.824 10.633 0.324 1.00 0.00 C ATOM 1369 O ILE A 86 -0.899 11.831 0.135 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.831 9.565 -1.698 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.005 8.723 -2.205 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.512 8.894 -2.088 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.774 7.253 -1.849 1.00 0.00 C ATOM 0 H ILE A 86 -3.800 10.601 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.773 8.700 0.273 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.876 10.558 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.936 9.073 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.106 8.835 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.453 8.810 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.323 9.494 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.464 7.900 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.611 6.655 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.852 6.906 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.695 7.149 -0.767 1.00 0.00 H new ATOM 1385 N ILE A 87 0.186 10.111 0.964 1.00 0.00 N ATOM 1386 CA ILE A 87 1.273 10.991 1.476 1.00 0.00 C ATOM 1387 C ILE A 87 2.632 10.403 1.087 1.00 0.00 C ATOM 1388 O ILE A 87 3.187 9.581 1.788 1.00 0.00 O ATOM 1389 CB ILE A 87 1.169 11.088 2.999 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.122 11.819 3.373 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.368 11.862 3.550 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.497 11.488 4.819 1.00 0.00 C ATOM 0 H ILE A 87 0.305 9.116 1.154 1.00 0.00 H new ATOM 0 HA ILE A 87 1.175 11.986 1.042 1.00 0.00 H new ATOM 0 HB ILE A 87 1.160 10.085 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.011 12.895 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.927 11.523 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.290 11.929 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.289 11.344 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.380 12.865 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.417 12.009 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.647 10.413 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.305 11.806 5.485 1.00 0.00 H new ATOM 1404 N LEU A 88 3.171 10.821 -0.026 1.00 0.00 N ATOM 1405 CA LEU A 88 4.494 10.288 -0.460 1.00 0.00 C ATOM 1406 C LEU A 88 5.606 10.985 0.327 1.00 0.00 C ATOM 1407 O LEU A 88 6.087 12.033 -0.057 1.00 0.00 O ATOM 1408 CB LEU A 88 4.685 10.553 -1.955 1.00 0.00 C ATOM 1409 CG LEU A 88 4.110 9.386 -2.759 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.791 9.812 -3.406 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.105 8.982 -3.850 1.00 0.00 C ATOM 0 H LEU A 88 2.753 11.508 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 88 4.533 9.215 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.189 11.482 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.744 10.677 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 88 3.932 8.540 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.381 8.980 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.082 10.102 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.968 10.658 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.697 8.150 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.282 9.829 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.046 8.679 -3.390 1.00 0.00 H new ATOM 1423 N SER A 89 6.018 10.413 1.424 1.00 0.00 N ATOM 1424 CA SER A 89 7.098 11.044 2.233 1.00 0.00 C ATOM 1425 C SER A 89 8.323 10.127 2.254 1.00 0.00 C ATOM 1426 O SER A 89 8.903 9.970 3.316 1.00 0.00 O ATOM 1427 CB SER A 89 6.602 11.265 3.662 1.00 0.00 C ATOM 1428 OG SER A 89 5.980 10.077 4.132 1.00 0.00 O ATOM 1429 OXT SER A 89 8.660 9.598 1.208 1.00 0.00 O ATOM 0 H SER A 89 5.653 9.536 1.795 1.00 0.00 H new ATOM 0 HA SER A 89 7.370 12.002 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.435 11.534 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.896 12.095 3.690 1.00 0.00 H new ATOM 0 HG SER A 89 6.225 9.928 5.069 1.00 0.00 H new TER 1435 SER A 89