USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= -0.1 K(o=-1.1,f=-0.43) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.974 K(o=-1.1,f=-0.045) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0531) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0659) USER MOD Set 3.1: A 51 THR OG1 : rot 84:sc= 0.827 USER MOD Set 3.2: A 52 HIS : no HD1:sc= 0.661 K(o=1.5,f=-0.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.926 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.7 (180deg=-1.39!) USER MOD Single : A 14 GLN : amide:sc= -2.02 K(o=-2,f=-3.8!) USER MOD Single : A 16 CYS SG : rot 70:sc= 1.04 USER MOD Single : A 19 SER OG : rot -156:sc= -2.53! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.49) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -137:sc= -1.03 (180deg=-6.15!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.5!) USER MOD Single : A 41 SER OG : rot -160:sc= -1.04 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -79:sc= -1.39 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= -0.719 (180deg=-1.36) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 133:sc= -1.46! (180deg=-3.54!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.146 USER MOD Single : A 84 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : A 85 MET CE :methyl 170:sc= -3.54! (180deg=-4.05!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 99:sc= 0.734 USER MOD Single : A 100 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.461 32.016 -10.266 1.00 0.00 N ATOM 2 CA GLY A 1 -5.499 30.931 -10.339 1.00 0.00 C ATOM 3 C GLY A 1 -5.120 30.398 -8.972 1.00 0.00 C ATOM 4 O GLY A 1 -5.838 29.581 -8.396 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.687 32.345 -11.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.329 31.680 -9.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.057 32.802 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.915 30.121 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.602 31.279 -10.851 1.00 0.00 H new ATOM 8 N SER A 2 -3.988 30.861 -8.451 1.00 0.00 N ATOM 9 CA SER A 2 -3.512 30.422 -7.145 1.00 0.00 C ATOM 10 C SER A 2 -2.419 31.351 -6.624 1.00 0.00 C ATOM 11 O SER A 2 -1.558 31.799 -7.381 1.00 0.00 O ATOM 12 CB SER A 2 -2.982 28.989 -7.227 1.00 0.00 C ATOM 13 OG SER A 2 -4.013 28.049 -6.979 1.00 0.00 O ATOM 0 H SER A 2 -3.384 31.540 -8.914 1.00 0.00 H new ATOM 0 HA SER A 2 -4.352 30.452 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.554 28.812 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.179 28.853 -6.502 1.00 0.00 H new ATOM 0 HG SER A 2 -4.844 28.358 -7.396 1.00 0.00 H new ATOM 19 N SER A 3 -2.462 31.636 -5.327 1.00 0.00 N ATOM 20 CA SER A 3 -1.479 32.514 -4.704 1.00 0.00 C ATOM 21 C SER A 3 -0.314 31.709 -4.135 1.00 0.00 C ATOM 22 O SER A 3 -0.501 30.843 -3.282 1.00 0.00 O ATOM 23 CB SER A 3 -2.132 33.341 -3.595 1.00 0.00 C ATOM 24 OG SER A 3 -1.234 34.311 -3.085 1.00 0.00 O ATOM 0 H SER A 3 -3.167 31.271 -4.687 1.00 0.00 H new ATOM 0 HA SER A 3 -1.093 33.187 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.023 33.834 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.457 32.682 -2.789 1.00 0.00 H new ATOM 0 HG SER A 3 -1.676 34.827 -2.379 1.00 0.00 H new ATOM 30 N GLY A 4 0.890 32.003 -4.615 1.00 0.00 N ATOM 31 CA GLY A 4 2.069 31.299 -4.145 1.00 0.00 C ATOM 32 C GLY A 4 2.491 30.184 -5.081 1.00 0.00 C ATOM 33 O GLY A 4 2.461 30.345 -6.301 1.00 0.00 O ATOM 0 H GLY A 4 1.070 32.716 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.891 32.007 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.871 30.884 -3.157 1.00 0.00 H new ATOM 37 N SER A 5 2.887 29.051 -4.510 1.00 0.00 N ATOM 38 CA SER A 5 3.322 27.907 -5.302 1.00 0.00 C ATOM 39 C SER A 5 2.409 26.707 -5.071 1.00 0.00 C ATOM 40 O SER A 5 1.711 26.260 -5.981 1.00 0.00 O ATOM 41 CB SER A 5 4.765 27.539 -4.954 1.00 0.00 C ATOM 42 OG SER A 5 5.685 28.329 -5.687 1.00 0.00 O ATOM 0 H SER A 5 2.915 28.901 -3.502 1.00 0.00 H new ATOM 0 HA SER A 5 3.269 28.184 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.931 27.679 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.936 26.484 -5.168 1.00 0.00 H new ATOM 0 HG SER A 5 6.600 28.075 -5.445 1.00 0.00 H new ATOM 48 N SER A 6 2.420 26.190 -3.847 1.00 0.00 N ATOM 49 CA SER A 6 1.596 25.040 -3.495 1.00 0.00 C ATOM 50 C SER A 6 0.153 25.247 -3.945 1.00 0.00 C ATOM 51 O SER A 6 -0.272 26.371 -4.209 1.00 0.00 O ATOM 52 CB SER A 6 1.641 24.795 -1.986 1.00 0.00 C ATOM 53 OG SER A 6 2.759 24.001 -1.631 1.00 0.00 O ATOM 0 H SER A 6 2.991 26.550 -3.082 1.00 0.00 H new ATOM 0 HA SER A 6 1.997 24.167 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.687 25.749 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.724 24.300 -1.667 1.00 0.00 H new ATOM 0 HG SER A 6 2.766 23.860 -0.661 1.00 0.00 H new ATOM 59 N GLY A 7 -0.597 24.152 -4.031 1.00 0.00 N ATOM 60 CA GLY A 7 -1.985 24.234 -4.449 1.00 0.00 C ATOM 61 C GLY A 7 -2.624 22.869 -4.606 1.00 0.00 C ATOM 62 O GLY A 7 -3.469 22.475 -3.802 1.00 0.00 O ATOM 0 H GLY A 7 -0.268 23.210 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.548 24.813 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.045 24.771 -5.396 1.00 0.00 H new ATOM 66 N PHE A 8 -2.223 22.146 -5.646 1.00 0.00 N ATOM 67 CA PHE A 8 -2.764 20.817 -5.908 1.00 0.00 C ATOM 68 C PHE A 8 -2.043 19.762 -5.075 1.00 0.00 C ATOM 69 O PHE A 8 -1.021 20.041 -4.447 1.00 0.00 O ATOM 70 CB PHE A 8 -2.645 20.479 -7.395 1.00 0.00 C ATOM 71 CG PHE A 8 -1.320 20.859 -7.992 1.00 0.00 C ATOM 72 CD1 PHE A 8 -0.141 20.338 -7.483 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.254 21.736 -9.062 1.00 0.00 C ATOM 74 CE1 PHE A 8 1.079 20.687 -8.030 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.036 22.088 -9.614 1.00 0.00 C ATOM 76 CZ PHE A 8 1.132 21.562 -9.098 1.00 0.00 C ATOM 0 H PHE A 8 -1.525 22.458 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.817 20.819 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.802 19.409 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.440 20.989 -7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.176 19.652 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.164 22.150 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.991 20.276 -7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.002 22.773 -10.448 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.085 21.834 -9.528 1.00 0.00 H new ATOM 86 N LYS A 9 -2.582 18.547 -5.075 1.00 0.00 N ATOM 87 CA LYS A 9 -1.991 17.448 -4.321 1.00 0.00 C ATOM 88 C LYS A 9 -2.658 16.123 -4.678 1.00 0.00 C ATOM 89 O LYS A 9 -3.865 16.068 -4.914 1.00 0.00 O ATOM 90 CB LYS A 9 -2.119 17.706 -2.818 1.00 0.00 C ATOM 91 CG LYS A 9 -1.487 16.624 -1.959 1.00 0.00 C ATOM 92 CD LYS A 9 -2.162 16.525 -0.602 1.00 0.00 C ATOM 93 CE LYS A 9 -3.354 15.581 -0.640 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.537 16.208 -1.294 1.00 0.00 N ATOM 0 H LYS A 9 -3.427 18.299 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.935 17.386 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.655 18.663 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.175 17.792 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.556 15.665 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.427 16.838 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.443 16.175 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.490 17.515 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.081 14.673 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.615 15.284 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.406 15.755 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.561 17.223 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.470 16.084 -2.324 1.00 0.00 H new ATOM 108 N VAL A 10 -1.865 15.057 -4.715 1.00 0.00 N ATOM 109 CA VAL A 10 -2.379 13.732 -5.041 1.00 0.00 C ATOM 110 C VAL A 10 -1.983 12.713 -3.979 1.00 0.00 C ATOM 111 O VAL A 10 -0.847 12.682 -3.505 1.00 0.00 O ATOM 112 CB VAL A 10 -1.867 13.253 -6.412 1.00 0.00 C ATOM 113 CG1 VAL A 10 -0.347 13.240 -6.440 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.426 11.876 -6.738 1.00 0.00 C ATOM 0 H VAL A 10 -0.864 15.085 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.465 13.814 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.214 13.951 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.004 12.899 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.029 14.246 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.025 12.566 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.054 11.553 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.110 11.165 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.515 11.922 -6.763 1.00 0.00 H new ATOM 124 N PRO A 11 -2.941 11.857 -3.594 1.00 0.00 N ATOM 125 CA PRO A 11 -2.716 10.819 -2.584 1.00 0.00 C ATOM 126 C PRO A 11 -1.793 9.713 -3.084 1.00 0.00 C ATOM 127 O PRO A 11 -1.666 9.473 -4.285 1.00 0.00 O ATOM 128 CB PRO A 11 -4.120 10.266 -2.324 1.00 0.00 C ATOM 129 CG PRO A 11 -4.876 10.548 -3.577 1.00 0.00 C ATOM 130 CD PRO A 11 -4.318 11.836 -4.116 1.00 0.00 C ATOM 0 HA PRO A 11 -2.228 11.216 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.091 9.197 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.583 10.750 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.754 9.739 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.944 10.639 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.335 11.856 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.891 12.697 -3.772 1.00 0.00 H new ATOM 138 N PRO A 12 -1.132 9.022 -2.144 1.00 0.00 N ATOM 139 CA PRO A 12 -0.209 7.929 -2.466 1.00 0.00 C ATOM 140 C PRO A 12 -0.933 6.698 -3.001 1.00 0.00 C ATOM 141 O PRO A 12 -0.304 5.763 -3.496 1.00 0.00 O ATOM 142 CB PRO A 12 0.454 7.618 -1.122 1.00 0.00 C ATOM 143 CG PRO A 12 -0.533 8.064 -0.100 1.00 0.00 C ATOM 144 CD PRO A 12 -1.235 9.254 -0.693 1.00 0.00 C ATOM 0 HA PRO A 12 0.495 8.207 -3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.671 6.554 -1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.401 8.148 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.241 7.269 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.036 8.329 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.274 9.311 -0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.758 10.189 -0.401 1.00 0.00 H new ATOM 152 N PHE A 13 -2.258 6.706 -2.899 1.00 0.00 N ATOM 153 CA PHE A 13 -3.067 5.589 -3.373 1.00 0.00 C ATOM 154 C PHE A 13 -4.028 6.040 -4.469 1.00 0.00 C ATOM 155 O PHE A 13 -4.986 5.340 -4.795 1.00 0.00 O ATOM 156 CB PHE A 13 -3.852 4.972 -2.213 1.00 0.00 C ATOM 157 CG PHE A 13 -2.984 4.525 -1.072 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.802 3.841 -1.310 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.349 4.788 0.238 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.000 3.429 -0.263 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.551 4.378 1.290 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.376 3.697 1.039 1.00 0.00 C ATOM 0 H PHE A 13 -2.794 7.473 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.396 4.838 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.574 5.701 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.420 4.118 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.504 3.628 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.267 5.319 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.081 2.898 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.846 4.590 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.752 3.374 1.859 1.00 0.00 H new ATOM 172 N GLN A 14 -3.763 7.214 -5.034 1.00 0.00 N ATOM 173 CA GLN A 14 -4.605 7.759 -6.092 1.00 0.00 C ATOM 174 C GLN A 14 -4.974 6.680 -7.105 1.00 0.00 C ATOM 175 O GLN A 14 -4.100 6.061 -7.713 1.00 0.00 O ATOM 176 CB GLN A 14 -3.891 8.914 -6.797 1.00 0.00 C ATOM 177 CG GLN A 14 -4.779 9.677 -7.766 1.00 0.00 C ATOM 178 CD GLN A 14 -3.994 10.325 -8.890 1.00 0.00 C ATOM 179 OE1 GLN A 14 -2.940 9.830 -9.292 1.00 0.00 O ATOM 180 NE2 GLN A 14 -4.504 11.438 -9.404 1.00 0.00 N ATOM 0 H GLN A 14 -2.973 7.805 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.522 8.132 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.508 9.606 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.030 8.522 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.518 8.996 -8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.328 10.445 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.380 11.813 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.020 11.918 -10.163 1.00 0.00 H new ATOM 189 N ASP A 15 -6.272 6.459 -7.280 1.00 0.00 N ATOM 190 CA ASP A 15 -6.756 5.454 -8.220 1.00 0.00 C ATOM 191 C ASP A 15 -6.025 4.130 -8.024 1.00 0.00 C ATOM 192 O ASP A 15 -5.728 3.425 -8.989 1.00 0.00 O ATOM 193 CB ASP A 15 -6.577 5.942 -9.658 1.00 0.00 C ATOM 194 CG ASP A 15 -7.202 5.003 -10.670 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.412 5.146 -10.945 1.00 0.00 O ATOM 196 OD2 ASP A 15 -6.481 4.124 -11.188 1.00 0.00 O ATOM 0 H ASP A 15 -7.008 6.962 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.817 5.294 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.023 6.931 -9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.514 6.048 -9.873 1.00 0.00 H new ATOM 201 N CYS A 16 -5.737 3.798 -6.770 1.00 0.00 N ATOM 202 CA CYS A 16 -5.039 2.559 -6.448 1.00 0.00 C ATOM 203 C CYS A 16 -5.728 1.830 -5.300 1.00 0.00 C ATOM 204 O CYS A 16 -5.811 2.345 -4.185 1.00 0.00 O ATOM 205 CB CYS A 16 -3.582 2.850 -6.083 1.00 0.00 C ATOM 206 SG CYS A 16 -2.641 3.664 -7.394 1.00 0.00 S ATOM 0 H CYS A 16 -5.976 4.370 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.064 1.917 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.560 3.477 -5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.089 1.913 -5.825 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.069 4.882 -7.543 1.00 0.00 H new ATOM 212 N ILE A 17 -6.222 0.628 -5.580 1.00 0.00 N ATOM 213 CA ILE A 17 -6.904 -0.171 -4.571 1.00 0.00 C ATOM 214 C ILE A 17 -5.928 -1.091 -3.845 1.00 0.00 C ATOM 215 O ILE A 17 -4.958 -1.572 -4.433 1.00 0.00 O ATOM 216 CB ILE A 17 -8.028 -1.022 -5.191 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.878 -0.171 -6.138 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.893 -1.634 -4.100 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.517 -0.965 -7.255 1.00 0.00 C ATOM 0 H ILE A 17 -6.162 0.187 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.340 0.528 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.576 -1.831 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.660 0.326 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.253 0.611 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.683 -2.232 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.278 -2.269 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.339 -0.840 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.104 -0.298 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.740 -1.441 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.168 -1.730 -6.831 1.00 0.00 H new ATOM 231 N LEU A 18 -6.191 -1.334 -2.566 1.00 0.00 N ATOM 232 CA LEU A 18 -5.337 -2.198 -1.760 1.00 0.00 C ATOM 233 C LEU A 18 -6.143 -3.334 -1.139 1.00 0.00 C ATOM 234 O LEU A 18 -7.284 -3.142 -0.720 1.00 0.00 O ATOM 235 CB LEU A 18 -4.648 -1.386 -0.661 1.00 0.00 C ATOM 236 CG LEU A 18 -3.629 -0.349 -1.133 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.473 -1.025 -1.854 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.294 0.681 -2.034 1.00 0.00 C ATOM 0 H LEU A 18 -6.989 -0.944 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.579 -2.630 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.415 -0.874 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.146 -2.079 0.014 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.232 0.166 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.758 -0.271 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.980 -1.722 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.852 -1.567 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.553 1.411 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.720 0.182 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.086 1.189 -1.483 1.00 0.00 H new ATOM 250 N SER A 19 -5.540 -4.518 -1.081 1.00 0.00 N ATOM 251 CA SER A 19 -6.203 -5.686 -0.512 1.00 0.00 C ATOM 252 C SER A 19 -5.383 -6.271 0.634 1.00 0.00 C ATOM 253 O SER A 19 -4.175 -6.473 0.508 1.00 0.00 O ATOM 254 CB SER A 19 -6.425 -6.748 -1.590 1.00 0.00 C ATOM 255 OG SER A 19 -5.417 -6.685 -2.583 1.00 0.00 O ATOM 0 H SER A 19 -4.594 -4.693 -1.421 1.00 0.00 H new ATOM 0 HA SER A 19 -7.170 -5.370 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.429 -7.738 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.403 -6.605 -2.050 1.00 0.00 H new ATOM 0 HG SER A 19 -5.755 -7.071 -3.418 1.00 0.00 H new ATOM 261 N PHE A 20 -6.048 -6.542 1.751 1.00 0.00 N ATOM 262 CA PHE A 20 -5.382 -7.104 2.921 1.00 0.00 C ATOM 263 C PHE A 20 -5.848 -8.534 3.177 1.00 0.00 C ATOM 264 O PHE A 20 -7.045 -8.822 3.160 1.00 0.00 O ATOM 265 CB PHE A 20 -5.653 -6.239 4.153 1.00 0.00 C ATOM 266 CG PHE A 20 -5.542 -4.765 3.887 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.331 -4.204 3.516 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.649 -3.940 4.008 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.225 -2.848 3.270 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.550 -2.584 3.763 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.336 -2.036 3.395 1.00 0.00 C ATOM 0 H PHE A 20 -7.048 -6.382 1.872 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.310 -7.119 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.653 -6.458 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.950 -6.512 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.459 -4.834 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.600 -4.362 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.275 -2.424 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.421 -1.953 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.256 -0.976 3.206 1.00 0.00 H new ATOM 281 N LEU A 21 -4.893 -9.427 3.414 1.00 0.00 N ATOM 282 CA LEU A 21 -5.204 -10.829 3.674 1.00 0.00 C ATOM 283 C LEU A 21 -4.307 -11.391 4.772 1.00 0.00 C ATOM 284 O LEU A 21 -3.085 -11.420 4.635 1.00 0.00 O ATOM 285 CB LEU A 21 -5.041 -11.653 2.395 1.00 0.00 C ATOM 286 CG LEU A 21 -4.940 -13.167 2.581 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.316 -13.769 2.819 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.277 -13.810 1.372 1.00 0.00 C ATOM 0 H LEU A 21 -3.897 -9.206 3.432 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.239 -10.890 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.887 -11.443 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.145 -11.310 1.877 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.323 -13.365 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.224 -14.847 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.754 -13.331 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.957 -13.560 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.214 -14.888 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.867 -13.602 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.274 -13.402 1.247 1.00 0.00 H new ATOM 300 N GLY A 22 -4.924 -11.839 5.862 1.00 0.00 N ATOM 301 CA GLY A 22 -4.166 -12.396 6.967 1.00 0.00 C ATOM 302 C GLY A 22 -4.372 -11.628 8.257 1.00 0.00 C ATOM 303 O GLY A 22 -4.722 -12.208 9.285 1.00 0.00 O ATOM 0 H GLY A 22 -5.935 -11.826 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.458 -13.436 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.106 -12.396 6.713 1.00 0.00 H new ATOM 307 N PHE A 23 -4.154 -10.318 8.205 1.00 0.00 N ATOM 308 CA PHE A 23 -4.315 -9.469 9.380 1.00 0.00 C ATOM 309 C PHE A 23 -5.669 -9.708 10.042 1.00 0.00 C ATOM 310 O PHE A 23 -6.642 -10.064 9.378 1.00 0.00 O ATOM 311 CB PHE A 23 -4.177 -7.995 8.993 1.00 0.00 C ATOM 312 CG PHE A 23 -3.035 -7.726 8.055 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.762 -7.483 8.545 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.234 -7.716 6.684 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.709 -7.235 7.684 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.185 -7.468 5.818 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.921 -7.229 6.319 1.00 0.00 C ATOM 0 H PHE A 23 -3.865 -9.821 7.362 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.531 -9.725 10.093 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.105 -7.661 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.042 -7.401 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.590 -7.487 9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.221 -7.904 6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.279 -7.046 8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.354 -7.461 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.099 -7.038 5.645 1.00 0.00 H new ATOM 327 N SER A 24 -5.723 -9.509 11.355 1.00 0.00 N ATOM 328 CA SER A 24 -6.955 -9.707 12.108 1.00 0.00 C ATOM 329 C SER A 24 -7.954 -8.590 11.819 1.00 0.00 C ATOM 330 O SER A 24 -7.574 -7.432 11.643 1.00 0.00 O ATOM 331 CB SER A 24 -6.657 -9.764 13.608 1.00 0.00 C ATOM 332 OG SER A 24 -5.898 -10.915 13.934 1.00 0.00 O ATOM 0 H SER A 24 -4.927 -9.211 11.919 1.00 0.00 H new ATOM 0 HA SER A 24 -7.395 -10.654 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.113 -8.869 13.908 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.592 -9.771 14.168 1.00 0.00 H new ATOM 0 HG SER A 24 -5.719 -10.927 14.898 1.00 0.00 H new ATOM 338 N ASP A 25 -9.233 -8.947 11.770 1.00 0.00 N ATOM 339 CA ASP A 25 -10.288 -7.977 11.502 1.00 0.00 C ATOM 340 C ASP A 25 -9.951 -6.624 12.122 1.00 0.00 C ATOM 341 O ASP A 25 -10.297 -5.578 11.574 1.00 0.00 O ATOM 342 CB ASP A 25 -11.625 -8.483 12.046 1.00 0.00 C ATOM 343 CG ASP A 25 -12.111 -9.725 11.325 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.266 -10.573 10.969 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.336 -9.849 11.118 1.00 0.00 O ATOM 0 H ASP A 25 -9.564 -9.901 11.912 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.368 -7.852 10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.522 -8.700 13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.373 -7.696 11.952 1.00 0.00 H new ATOM 350 N GLU A 26 -9.276 -6.654 13.266 1.00 0.00 N ATOM 351 CA GLU A 26 -8.895 -5.430 13.960 1.00 0.00 C ATOM 352 C GLU A 26 -7.779 -4.705 13.213 1.00 0.00 C ATOM 353 O GLU A 26 -7.945 -3.563 12.787 1.00 0.00 O ATOM 354 CB GLU A 26 -8.446 -5.745 15.389 1.00 0.00 C ATOM 355 CG GLU A 26 -9.541 -6.349 16.252 1.00 0.00 C ATOM 356 CD GLU A 26 -10.799 -5.503 16.273 1.00 0.00 C ATOM 357 OE1 GLU A 26 -10.720 -4.334 16.705 1.00 0.00 O ATOM 358 OE2 GLU A 26 -11.863 -6.010 15.859 1.00 0.00 O ATOM 0 H GLU A 26 -8.982 -7.512 13.732 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.768 -4.778 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.602 -6.434 15.352 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.089 -4.829 15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.783 -7.345 15.881 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.171 -6.469 17.270 1.00 0.00 H new ATOM 365 N GLU A 27 -6.644 -5.379 13.059 1.00 0.00 N ATOM 366 CA GLU A 27 -5.501 -4.799 12.364 1.00 0.00 C ATOM 367 C GLU A 27 -5.881 -4.376 10.948 1.00 0.00 C ATOM 368 O GLU A 27 -5.523 -3.289 10.494 1.00 0.00 O ATOM 369 CB GLU A 27 -4.343 -5.799 12.316 1.00 0.00 C ATOM 370 CG GLU A 27 -3.505 -5.821 13.583 1.00 0.00 C ATOM 371 CD GLU A 27 -3.220 -4.431 14.118 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.654 -3.609 13.367 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.564 -4.165 15.289 1.00 0.00 O ATOM 0 H GLU A 27 -6.491 -6.326 13.406 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.185 -3.914 12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.743 -6.797 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.700 -5.557 11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.023 -6.401 14.347 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.562 -6.329 13.382 1.00 0.00 H new ATOM 380 N LYS A 28 -6.609 -5.244 10.254 1.00 0.00 N ATOM 381 CA LYS A 28 -7.040 -4.964 8.889 1.00 0.00 C ATOM 382 C LYS A 28 -7.930 -3.726 8.844 1.00 0.00 C ATOM 383 O LYS A 28 -7.640 -2.804 8.083 1.00 0.00 O ATOM 384 CB LYS A 28 -7.791 -6.166 8.312 1.00 0.00 C ATOM 385 CG LYS A 28 -8.135 -6.018 6.840 1.00 0.00 C ATOM 386 CD LYS A 28 -9.492 -5.362 6.648 1.00 0.00 C ATOM 387 CE LYS A 28 -10.626 -6.351 6.869 1.00 0.00 C ATOM 388 NZ LYS A 28 -11.876 -5.672 7.308 1.00 0.00 N ATOM 0 H LYS A 28 -6.913 -6.148 10.615 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.152 -4.775 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.184 -7.062 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.710 -6.316 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.368 -5.422 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.133 -6.999 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.595 -4.528 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.559 -4.950 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.815 -6.899 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.328 -7.084 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.625 -6.380 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.703 -5.170 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.175 -4.991 6.581 1.00 0.00 H new ATOM 402 N HIS A 29 -8.982 -3.730 9.650 1.00 0.00 N ATOM 403 CA HIS A 29 -9.898 -2.603 9.692 1.00 0.00 C ATOM 404 C HIS A 29 -9.113 -1.298 9.546 1.00 0.00 C ATOM 405 O HIS A 29 -9.316 -0.515 8.618 1.00 0.00 O ATOM 406 CB HIS A 29 -10.750 -2.643 10.962 1.00 0.00 C ATOM 407 CG HIS A 29 -11.775 -1.538 11.048 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.975 -1.678 11.724 1.00 0.00 N ATOM 409 CD2 HIS A 29 -11.766 -0.272 10.539 1.00 0.00 C ATOM 410 CE1 HIS A 29 -13.650 -0.543 11.619 1.00 0.00 C ATOM 411 NE2 HIS A 29 -12.899 0.327 10.883 1.00 0.00 N ATOM 0 H HIS A 29 -9.220 -4.497 10.279 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.594 -2.664 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.262 -3.604 11.014 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.093 -2.584 11.830 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.971 0.168 9.955 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.623 -0.342 12.041 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.165 1.281 10.638 1.00 0.00 H new ATOM 419 N SER A 30 -8.204 -1.080 10.491 1.00 0.00 N ATOM 420 CA SER A 30 -7.377 0.121 10.494 1.00 0.00 C ATOM 421 C SER A 30 -6.791 0.380 9.109 1.00 0.00 C ATOM 422 O SER A 30 -6.734 1.521 8.651 1.00 0.00 O ATOM 423 CB SER A 30 -6.251 -0.013 11.520 1.00 0.00 C ATOM 424 OG SER A 30 -6.756 0.049 12.843 1.00 0.00 O ATOM 0 H SER A 30 -8.022 -1.719 11.264 1.00 0.00 H new ATOM 0 HA SER A 30 -8.008 0.967 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.729 -0.958 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.520 0.782 11.369 1.00 0.00 H new ATOM 0 HG SER A 30 -6.017 -0.041 13.480 1.00 0.00 H new ATOM 430 N MET A 31 -6.357 -0.688 8.448 1.00 0.00 N ATOM 431 CA MET A 31 -5.776 -0.577 7.115 1.00 0.00 C ATOM 432 C MET A 31 -6.831 -0.163 6.094 1.00 0.00 C ATOM 433 O MET A 31 -6.527 0.517 5.115 1.00 0.00 O ATOM 434 CB MET A 31 -5.141 -1.906 6.699 1.00 0.00 C ATOM 435 CG MET A 31 -4.089 -2.408 7.675 1.00 0.00 C ATOM 436 SD MET A 31 -3.710 -4.156 7.448 1.00 0.00 S ATOM 437 CE MET A 31 -2.391 -4.063 6.239 1.00 0.00 C ATOM 0 H MET A 31 -6.397 -1.640 8.813 1.00 0.00 H new ATOM 0 HA MET A 31 -5.004 0.192 7.146 1.00 0.00 H new ATOM 0 HB2 MET A 31 -5.923 -2.659 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.686 -1.790 5.715 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.177 -1.824 7.553 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.438 -2.245 8.695 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.541 -4.829 5.478 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.396 -3.079 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.433 -4.225 6.733 1.00 0.00 H new ATOM 447 N GLU A 32 -8.072 -0.578 6.331 1.00 0.00 N ATOM 448 CA GLU A 32 -9.171 -0.250 5.431 1.00 0.00 C ATOM 449 C GLU A 32 -9.500 1.239 5.494 1.00 0.00 C ATOM 450 O GLU A 32 -9.486 1.931 4.477 1.00 0.00 O ATOM 451 CB GLU A 32 -10.411 -1.074 5.784 1.00 0.00 C ATOM 452 CG GLU A 32 -10.419 -2.460 5.162 1.00 0.00 C ATOM 453 CD GLU A 32 -11.082 -2.485 3.799 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.153 -1.860 3.649 1.00 0.00 O ATOM 455 OE2 GLU A 32 -10.530 -3.129 2.882 1.00 0.00 O ATOM 0 H GLU A 32 -8.341 -1.141 7.138 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.860 -0.492 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.476 -1.171 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.300 -0.534 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.394 -2.818 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.939 -3.149 5.827 1.00 0.00 H new ATOM 462 N GLU A 33 -9.797 1.723 6.696 1.00 0.00 N ATOM 463 CA GLU A 33 -10.132 3.128 6.891 1.00 0.00 C ATOM 464 C GLU A 33 -8.995 4.029 6.415 1.00 0.00 C ATOM 465 O GLU A 33 -9.216 4.983 5.670 1.00 0.00 O ATOM 466 CB GLU A 33 -10.432 3.404 8.366 1.00 0.00 C ATOM 467 CG GLU A 33 -9.191 3.668 9.201 1.00 0.00 C ATOM 468 CD GLU A 33 -9.512 3.913 10.663 1.00 0.00 C ATOM 469 OE1 GLU A 33 -10.120 4.960 10.968 1.00 0.00 O ATOM 470 OE2 GLU A 33 -9.156 3.058 11.500 1.00 0.00 O ATOM 0 H GLU A 33 -9.812 1.163 7.548 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.020 3.349 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.097 4.264 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.967 2.552 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.515 2.817 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.664 4.533 8.799 1.00 0.00 H new ATOM 477 N MET A 34 -7.779 3.719 6.853 1.00 0.00 N ATOM 478 CA MET A 34 -6.608 4.499 6.472 1.00 0.00 C ATOM 479 C MET A 34 -6.543 4.678 4.958 1.00 0.00 C ATOM 480 O MET A 34 -6.518 5.802 4.455 1.00 0.00 O ATOM 481 CB MET A 34 -5.332 3.821 6.972 1.00 0.00 C ATOM 482 CG MET A 34 -4.123 4.743 6.997 1.00 0.00 C ATOM 483 SD MET A 34 -3.954 5.626 8.559 1.00 0.00 S ATOM 484 CE MET A 34 -3.013 4.441 9.518 1.00 0.00 C ATOM 0 H MET A 34 -7.579 2.933 7.472 1.00 0.00 H new ATOM 0 HA MET A 34 -6.692 5.483 6.933 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.505 3.435 7.977 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.112 2.964 6.335 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.221 4.158 6.816 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.204 5.464 6.184 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.828 4.844 10.514 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.576 3.511 9.602 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.062 4.246 9.023 1.00 0.00 H new ATOM 494 N THR A 35 -6.515 3.562 4.236 1.00 0.00 N ATOM 495 CA THR A 35 -6.451 3.596 2.780 1.00 0.00 C ATOM 496 C THR A 35 -7.308 4.725 2.218 1.00 0.00 C ATOM 497 O THR A 35 -6.892 5.434 1.302 1.00 0.00 O ATOM 498 CB THR A 35 -6.914 2.261 2.166 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.149 1.180 2.711 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.767 2.281 0.653 1.00 0.00 C ATOM 0 H THR A 35 -6.536 2.624 4.636 1.00 0.00 H new ATOM 0 HA THR A 35 -5.408 3.768 2.513 1.00 0.00 H new ATOM 0 HB THR A 35 -7.967 2.120 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.608 0.819 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.100 1.328 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.374 3.086 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.721 2.443 0.391 1.00 0.00 H new ATOM 508 N GLU A 36 -8.505 4.886 2.773 1.00 0.00 N ATOM 509 CA GLU A 36 -9.419 5.930 2.325 1.00 0.00 C ATOM 510 C GLU A 36 -8.986 7.295 2.852 1.00 0.00 C ATOM 511 O GLU A 36 -9.072 8.299 2.146 1.00 0.00 O ATOM 512 CB GLU A 36 -10.845 5.622 2.787 1.00 0.00 C ATOM 513 CG GLU A 36 -11.609 4.711 1.840 1.00 0.00 C ATOM 514 CD GLU A 36 -13.105 4.951 1.880 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.584 5.543 2.870 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.798 4.546 0.923 1.00 0.00 O ATOM 0 H GLU A 36 -8.864 4.308 3.533 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.395 5.956 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.806 5.157 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.392 6.558 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.247 4.865 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.405 3.672 2.098 1.00 0.00 H new ATOM 523 N MET A 37 -8.521 7.322 4.097 1.00 0.00 N ATOM 524 CA MET A 37 -8.074 8.563 4.718 1.00 0.00 C ATOM 525 C MET A 37 -7.025 9.256 3.854 1.00 0.00 C ATOM 526 O MET A 37 -7.130 10.450 3.573 1.00 0.00 O ATOM 527 CB MET A 37 -7.502 8.285 6.109 1.00 0.00 C ATOM 528 CG MET A 37 -8.501 7.645 7.060 1.00 0.00 C ATOM 529 SD MET A 37 -9.456 8.861 7.987 1.00 0.00 S ATOM 530 CE MET A 37 -8.981 8.456 9.665 1.00 0.00 C ATOM 0 H MET A 37 -8.444 6.499 4.695 1.00 0.00 H new ATOM 0 HA MET A 37 -8.936 9.224 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.635 7.632 6.012 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.149 9.221 6.542 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.182 7.010 6.492 1.00 0.00 H new ATOM 0 HG3 MET A 37 -7.969 6.998 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.491 9.124 10.359 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.259 7.425 9.883 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.903 8.572 9.776 1.00 0.00 H new ATOM 540 N GLN A 38 -6.014 8.500 3.437 1.00 0.00 N ATOM 541 CA GLN A 38 -4.946 9.044 2.606 1.00 0.00 C ATOM 542 C GLN A 38 -5.478 9.457 1.237 1.00 0.00 C ATOM 543 O GLN A 38 -5.251 10.578 0.785 1.00 0.00 O ATOM 544 CB GLN A 38 -3.826 8.015 2.442 1.00 0.00 C ATOM 545 CG GLN A 38 -3.302 7.470 3.761 1.00 0.00 C ATOM 546 CD GLN A 38 -2.932 8.567 4.740 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.620 9.690 4.343 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.963 8.247 6.028 1.00 0.00 N ATOM 0 H GLN A 38 -5.912 7.510 3.661 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.548 9.929 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.191 7.186 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.002 8.472 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.059 6.827 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.427 6.848 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.227 7.304 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.722 8.944 6.733 1.00 0.00 H new ATOM 557 N GLY A 39 -6.187 8.542 0.582 1.00 0.00 N ATOM 558 CA GLY A 39 -6.739 8.830 -0.728 1.00 0.00 C ATOM 559 C GLY A 39 -6.689 7.631 -1.655 1.00 0.00 C ATOM 560 O GLY A 39 -6.302 7.751 -2.816 1.00 0.00 O ATOM 0 H GLY A 39 -6.388 7.607 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.773 9.158 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.188 9.656 -1.177 1.00 0.00 H new ATOM 564 N GLY A 40 -7.082 6.470 -1.139 1.00 0.00 N ATOM 565 CA GLY A 40 -7.071 5.261 -1.942 1.00 0.00 C ATOM 566 C GLY A 40 -8.378 4.498 -1.858 1.00 0.00 C ATOM 567 O GLY A 40 -9.423 5.075 -1.561 1.00 0.00 O ATOM 0 H GLY A 40 -7.407 6.345 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.872 5.521 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.256 4.617 -1.612 1.00 0.00 H new ATOM 571 N SER A 41 -8.319 3.196 -2.122 1.00 0.00 N ATOM 572 CA SER A 41 -9.509 2.354 -2.081 1.00 0.00 C ATOM 573 C SER A 41 -9.149 0.925 -1.686 1.00 0.00 C ATOM 574 O SER A 41 -7.984 0.530 -1.735 1.00 0.00 O ATOM 575 CB SER A 41 -10.210 2.358 -3.440 1.00 0.00 C ATOM 576 OG SER A 41 -9.273 2.259 -4.498 1.00 0.00 O ATOM 0 H SER A 41 -7.461 2.702 -2.366 1.00 0.00 H new ATOM 0 HA SER A 41 -10.186 2.761 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.912 1.526 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.792 3.273 -3.550 1.00 0.00 H new ATOM 0 HG SER A 41 -9.684 2.575 -5.330 1.00 0.00 H new ATOM 582 N TYR A 42 -10.158 0.154 -1.295 1.00 0.00 N ATOM 583 CA TYR A 42 -9.949 -1.231 -0.889 1.00 0.00 C ATOM 584 C TYR A 42 -11.032 -2.137 -1.466 1.00 0.00 C ATOM 585 O TYR A 42 -12.182 -1.725 -1.628 1.00 0.00 O ATOM 586 CB TYR A 42 -9.935 -1.341 0.636 1.00 0.00 C ATOM 587 CG TYR A 42 -11.174 -0.777 1.295 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.412 -1.383 1.126 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.105 0.363 2.088 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.546 -0.870 1.726 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.233 0.882 2.692 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.452 0.262 2.508 1.00 0.00 C ATOM 593 OH TYR A 42 -14.579 0.775 3.108 1.00 0.00 O ATOM 0 H TYR A 42 -11.129 0.465 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.984 -1.555 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.830 -2.389 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.059 -0.819 1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.490 -2.270 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.153 0.851 2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.501 -1.353 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.162 1.768 3.305 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.340 1.573 3.624 1.00 0.00 H new ATOM 603 N LEU A 43 -10.658 -3.374 -1.774 1.00 0.00 N ATOM 604 CA LEU A 43 -11.596 -4.341 -2.332 1.00 0.00 C ATOM 605 C LEU A 43 -11.378 -5.724 -1.728 1.00 0.00 C ATOM 606 O LEU A 43 -10.318 -6.028 -1.179 1.00 0.00 O ATOM 607 CB LEU A 43 -11.447 -4.407 -3.853 1.00 0.00 C ATOM 608 CG LEU A 43 -12.268 -3.395 -4.653 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.741 -3.286 -6.076 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.739 -3.785 -4.656 1.00 0.00 C ATOM 0 H LEU A 43 -9.711 -3.731 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.606 -4.013 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.395 -4.268 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.723 -5.409 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.172 -2.420 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.337 -2.561 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.701 -2.960 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.806 -4.259 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.308 -3.054 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.853 -4.770 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.111 -3.811 -3.632 1.00 0.00 H new ATOM 622 N PRO A 44 -12.402 -6.584 -1.831 1.00 0.00 N ATOM 623 CA PRO A 44 -12.344 -7.950 -1.303 1.00 0.00 C ATOM 624 C PRO A 44 -11.390 -8.838 -2.094 1.00 0.00 C ATOM 625 O PRO A 44 -11.510 -8.963 -3.313 1.00 0.00 O ATOM 626 CB PRO A 44 -13.784 -8.448 -1.449 1.00 0.00 C ATOM 627 CG PRO A 44 -14.354 -7.637 -2.562 1.00 0.00 C ATOM 628 CD PRO A 44 -13.694 -6.289 -2.472 1.00 0.00 C ATOM 0 HA PRO A 44 -11.971 -7.975 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.813 -9.513 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.347 -8.306 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.156 -8.105 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.436 -7.549 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.561 -5.840 -3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.286 -5.590 -1.881 1.00 0.00 H new ATOM 636 N VAL A 45 -10.444 -9.454 -1.393 1.00 0.00 N ATOM 637 CA VAL A 45 -9.470 -10.332 -2.031 1.00 0.00 C ATOM 638 C VAL A 45 -10.129 -11.205 -3.093 1.00 0.00 C ATOM 639 O VAL A 45 -11.133 -11.866 -2.832 1.00 0.00 O ATOM 640 CB VAL A 45 -8.771 -11.238 -0.999 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.597 -11.966 -1.636 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.316 -10.424 0.202 1.00 0.00 C ATOM 0 H VAL A 45 -10.331 -9.362 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.727 -9.690 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.486 -11.985 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.116 -12.601 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.955 -12.581 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.878 -11.238 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.824 -11.080 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.617 -9.654 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.180 -9.954 0.671 1.00 0.00 H new ATOM 652 N GLY A 46 -9.557 -11.202 -4.293 1.00 0.00 N ATOM 653 CA GLY A 46 -10.102 -11.998 -5.377 1.00 0.00 C ATOM 654 C GLY A 46 -10.434 -11.164 -6.598 1.00 0.00 C ATOM 655 O GLY A 46 -10.142 -11.559 -7.727 1.00 0.00 O ATOM 0 H GLY A 46 -8.726 -10.662 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.384 -12.771 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.002 -12.507 -5.033 1.00 0.00 H new ATOM 659 N ASP A 47 -11.047 -10.007 -6.373 1.00 0.00 N ATOM 660 CA ASP A 47 -11.420 -9.114 -7.465 1.00 0.00 C ATOM 661 C ASP A 47 -10.205 -8.757 -8.314 1.00 0.00 C ATOM 662 O ASP A 47 -9.075 -8.752 -7.826 1.00 0.00 O ATOM 663 CB ASP A 47 -12.065 -7.842 -6.914 1.00 0.00 C ATOM 664 CG ASP A 47 -12.736 -7.017 -7.995 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.998 -7.569 -9.084 1.00 0.00 O ATOM 666 OD2 ASP A 47 -12.999 -5.822 -7.751 1.00 0.00 O ATOM 0 H ASP A 47 -11.296 -9.665 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.141 -9.633 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.801 -8.110 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.305 -7.238 -6.419 1.00 0.00 H new ATOM 671 N GLU A 48 -10.445 -8.460 -9.587 1.00 0.00 N ATOM 672 CA GLU A 48 -9.369 -8.103 -10.504 1.00 0.00 C ATOM 673 C GLU A 48 -9.112 -6.599 -10.483 1.00 0.00 C ATOM 674 O GLU A 48 -7.974 -6.151 -10.629 1.00 0.00 O ATOM 675 CB GLU A 48 -9.711 -8.553 -11.926 1.00 0.00 C ATOM 676 CG GLU A 48 -10.929 -7.856 -12.509 1.00 0.00 C ATOM 677 CD GLU A 48 -11.590 -8.661 -13.611 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.099 -8.610 -14.758 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.598 -9.341 -13.326 1.00 0.00 O ATOM 0 H GLU A 48 -11.375 -8.460 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.463 -8.613 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.853 -8.368 -12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.884 -9.629 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.652 -7.672 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.633 -6.883 -12.902 1.00 0.00 H new ATOM 686 N ARG A 49 -10.176 -5.825 -10.300 1.00 0.00 N ATOM 687 CA ARG A 49 -10.067 -4.372 -10.261 1.00 0.00 C ATOM 688 C ARG A 49 -8.897 -3.938 -9.382 1.00 0.00 C ATOM 689 O ARG A 49 -8.258 -2.918 -9.642 1.00 0.00 O ATOM 690 CB ARG A 49 -11.366 -3.755 -9.740 1.00 0.00 C ATOM 691 CG ARG A 49 -12.402 -3.509 -10.825 1.00 0.00 C ATOM 692 CD ARG A 49 -13.310 -4.715 -11.012 1.00 0.00 C ATOM 693 NE ARG A 49 -14.489 -4.650 -10.153 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.427 -3.716 -10.262 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.325 -2.773 -11.189 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.471 -3.723 -9.443 1.00 0.00 N ATOM 0 H ARG A 49 -11.124 -6.180 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.887 -4.019 -11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.793 -4.414 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.137 -2.810 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.002 -2.637 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.899 -3.282 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.624 -4.775 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.752 -5.626 -10.794 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.598 -5.361 -9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.524 -2.764 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.047 -2.057 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.554 -4.446 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.191 -3.005 -9.528 1.00 0.00 H new ATOM 710 N CYS A 50 -8.625 -4.719 -8.342 1.00 0.00 N ATOM 711 CA CYS A 50 -7.533 -4.415 -7.424 1.00 0.00 C ATOM 712 C CYS A 50 -6.248 -4.113 -8.188 1.00 0.00 C ATOM 713 O CYS A 50 -5.981 -4.705 -9.234 1.00 0.00 O ATOM 714 CB CYS A 50 -7.307 -5.583 -6.463 1.00 0.00 C ATOM 715 SG CYS A 50 -8.597 -5.767 -5.209 1.00 0.00 S ATOM 0 H CYS A 50 -9.145 -5.566 -8.114 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.809 -3.530 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.241 -6.506 -7.039 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.347 -5.449 -5.964 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.404 -4.902 -4.258 1.00 0.00 H new ATOM 721 N THR A 51 -5.454 -3.187 -7.659 1.00 0.00 N ATOM 722 CA THR A 51 -4.198 -2.805 -8.292 1.00 0.00 C ATOM 723 C THR A 51 -3.003 -3.275 -7.470 1.00 0.00 C ATOM 724 O THR A 51 -1.935 -3.501 -8.037 1.00 0.00 O ATOM 725 CB THR A 51 -4.107 -1.279 -8.483 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.207 -0.620 -7.215 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.209 -0.783 -9.407 1.00 0.00 C ATOM 0 H THR A 51 -5.659 -2.688 -6.793 1.00 0.00 H new ATOM 0 HA THR A 51 -4.176 -3.288 -9.269 1.00 0.00 H new ATOM 0 HB THR A 51 -3.143 -1.048 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.326 -0.600 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.125 0.297 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.112 -1.265 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.181 -1.025 -8.977 1.00 0.00 H new ATOM 735 N HIS A 52 -3.205 -3.411 -6.168 1.00 0.00 N ATOM 736 CA HIS A 52 -2.137 -3.854 -5.287 1.00 0.00 C ATOM 737 C HIS A 52 -2.651 -4.973 -4.380 1.00 0.00 C ATOM 738 O HIS A 52 -3.853 -5.154 -4.182 1.00 0.00 O ATOM 739 CB HIS A 52 -1.556 -2.676 -4.504 1.00 0.00 C ATOM 740 CG HIS A 52 -0.797 -1.686 -5.355 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.408 -0.619 -5.989 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.529 -1.613 -5.670 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.483 0.059 -6.653 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.717 -0.559 -6.454 1.00 0.00 N ATOM 0 H HIS A 52 -4.092 -3.222 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.317 -4.261 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.368 -2.155 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.890 -3.060 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.296 -2.297 -5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.650 0.945 -7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.611 -0.260 -6.844 1.00 0.00 H new ATOM 752 N LEU A 53 -1.707 -5.728 -3.830 1.00 0.00 N ATOM 753 CA LEU A 53 -2.035 -6.836 -2.940 1.00 0.00 C ATOM 754 C LEU A 53 -1.110 -6.853 -1.727 1.00 0.00 C ATOM 755 O LEU A 53 0.080 -7.145 -1.846 1.00 0.00 O ATOM 756 CB LEU A 53 -1.935 -8.166 -3.690 1.00 0.00 C ATOM 757 CG LEU A 53 -2.551 -9.378 -2.992 1.00 0.00 C ATOM 758 CD1 LEU A 53 -2.264 -9.338 -1.499 1.00 0.00 C ATOM 759 CD2 LEU A 53 -4.050 -9.436 -3.248 1.00 0.00 C ATOM 0 H LEU A 53 -0.708 -5.593 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.059 -6.698 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.415 -8.049 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.882 -8.376 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.097 -10.280 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.711 -10.209 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.186 -9.346 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.689 -8.430 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.472 -10.305 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.520 -8.530 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.233 -9.514 -4.320 1.00 0.00 H new ATOM 771 N ILE A 54 -1.665 -6.540 -0.561 1.00 0.00 N ATOM 772 CA ILE A 54 -0.891 -6.523 0.673 1.00 0.00 C ATOM 773 C ILE A 54 -1.238 -7.716 1.557 1.00 0.00 C ATOM 774 O ILE A 54 -2.238 -7.702 2.274 1.00 0.00 O ATOM 775 CB ILE A 54 -1.127 -5.225 1.468 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.579 -4.022 0.696 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.480 -5.319 2.841 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.587 -3.396 -0.242 1.00 0.00 C ATOM 0 H ILE A 54 -2.648 -6.295 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 54 0.159 -6.579 0.387 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.200 -5.089 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.239 -3.269 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.293 -4.335 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.656 -4.394 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.913 -6.155 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.593 -5.475 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.130 -2.550 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.909 -4.135 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.450 -3.051 0.328 1.00 0.00 H new ATOM 790 N VAL A 55 -0.403 -8.750 1.501 1.00 0.00 N ATOM 791 CA VAL A 55 -0.620 -9.951 2.298 1.00 0.00 C ATOM 792 C VAL A 55 0.471 -10.116 3.351 1.00 0.00 C ATOM 793 O VAL A 55 1.652 -9.910 3.072 1.00 0.00 O ATOM 794 CB VAL A 55 -0.659 -11.212 1.414 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.575 -11.281 0.528 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.779 -12.461 2.273 1.00 0.00 C ATOM 0 H VAL A 55 0.429 -8.779 0.912 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.584 -9.833 2.792 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.537 -11.156 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.530 -12.178 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.612 -10.401 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.469 -11.314 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.805 -13.342 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.078 -12.525 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.696 -12.412 2.860 1.00 0.00 H new ATOM 806 N GLU A 56 0.066 -10.488 4.561 1.00 0.00 N ATOM 807 CA GLU A 56 1.010 -10.680 5.656 1.00 0.00 C ATOM 808 C GLU A 56 1.813 -11.962 5.463 1.00 0.00 C ATOM 809 O GLU A 56 1.426 -13.027 5.944 1.00 0.00 O ATOM 810 CB GLU A 56 0.270 -10.725 6.995 1.00 0.00 C ATOM 811 CG GLU A 56 1.183 -10.948 8.188 1.00 0.00 C ATOM 812 CD GLU A 56 0.507 -10.632 9.508 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.304 -9.683 9.546 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.789 -11.332 10.502 1.00 0.00 O ATOM 0 H GLU A 56 -0.908 -10.662 4.808 1.00 0.00 H new ATOM 0 HA GLU A 56 1.700 -9.836 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.272 -9.789 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.473 -11.522 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.518 -11.985 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.072 -10.326 8.081 1.00 0.00 H new ATOM 821 N GLU A 57 2.934 -11.851 4.756 1.00 0.00 N ATOM 822 CA GLU A 57 3.791 -13.003 4.499 1.00 0.00 C ATOM 823 C GLU A 57 4.212 -13.670 5.804 1.00 0.00 C ATOM 824 O GLU A 57 4.453 -14.876 5.848 1.00 0.00 O ATOM 825 CB GLU A 57 5.029 -12.577 3.707 1.00 0.00 C ATOM 826 CG GLU A 57 5.909 -11.580 4.443 1.00 0.00 C ATOM 827 CD GLU A 57 6.850 -12.247 5.427 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.415 -13.306 5.084 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.020 -11.708 6.541 1.00 0.00 O ATOM 0 H GLU A 57 3.269 -10.977 4.352 1.00 0.00 H new ATOM 0 HA GLU A 57 3.222 -13.724 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.619 -13.462 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.712 -12.139 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.491 -11.011 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.278 -10.868 4.975 1.00 0.00 H new ATOM 836 N ASN A 58 4.300 -12.876 6.866 1.00 0.00 N ATOM 837 CA ASN A 58 4.694 -13.389 8.174 1.00 0.00 C ATOM 838 C ASN A 58 3.963 -14.690 8.490 1.00 0.00 C ATOM 839 O ASN A 58 4.584 -15.699 8.825 1.00 0.00 O ATOM 840 CB ASN A 58 4.405 -12.351 9.260 1.00 0.00 C ATOM 841 CG ASN A 58 5.564 -11.395 9.470 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.716 -11.815 9.583 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.263 -10.103 9.524 1.00 0.00 N ATOM 0 H ASN A 58 4.104 -11.875 6.847 1.00 0.00 H new ATOM 0 HA ASN A 58 5.765 -13.591 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.514 -11.784 8.989 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.185 -12.862 10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.001 -9.413 9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.294 -9.801 9.425 1.00 0.00 H new ATOM 850 N THR A 59 2.638 -14.660 8.382 1.00 0.00 N ATOM 851 CA THR A 59 1.822 -15.835 8.657 1.00 0.00 C ATOM 852 C THR A 59 1.332 -16.479 7.365 1.00 0.00 C ATOM 853 O THR A 59 1.300 -17.704 7.243 1.00 0.00 O ATOM 854 CB THR A 59 0.606 -15.482 9.534 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.025 -16.680 10.002 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.397 -14.645 8.757 1.00 0.00 C ATOM 0 H THR A 59 2.108 -13.834 8.106 1.00 0.00 H new ATOM 0 HA THR A 59 2.456 -16.541 9.194 1.00 0.00 H new ATOM 0 HB THR A 59 0.957 -14.900 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.796 -16.447 10.560 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.247 -14.408 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.078 -13.721 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.742 -15.205 7.888 1.00 0.00 H new ATOM 864 N VAL A 60 0.952 -15.646 6.401 1.00 0.00 N ATOM 865 CA VAL A 60 0.465 -16.134 5.117 1.00 0.00 C ATOM 866 C VAL A 60 1.606 -16.693 4.273 1.00 0.00 C ATOM 867 O VAL A 60 2.280 -15.955 3.554 1.00 0.00 O ATOM 868 CB VAL A 60 -0.246 -15.020 4.326 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.789 -15.561 3.012 1.00 0.00 C ATOM 870 CG2 VAL A 60 -1.359 -14.404 5.159 1.00 0.00 C ATOM 0 H VAL A 60 0.972 -14.630 6.486 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.249 -16.930 5.331 1.00 0.00 H new ATOM 0 HB VAL A 60 0.480 -14.240 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.288 -14.760 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.033 -15.951 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.502 -16.360 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.851 -13.619 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.086 -15.173 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.939 -13.978 6.070 1.00 0.00 H new ATOM 880 N LYS A 61 1.817 -18.001 4.365 1.00 0.00 N ATOM 881 CA LYS A 61 2.875 -18.661 3.610 1.00 0.00 C ATOM 882 C LYS A 61 2.545 -18.687 2.121 1.00 0.00 C ATOM 883 O LYS A 61 3.438 -18.618 1.276 1.00 0.00 O ATOM 884 CB LYS A 61 3.082 -20.088 4.122 1.00 0.00 C ATOM 885 CG LYS A 61 3.968 -20.170 5.353 1.00 0.00 C ATOM 886 CD LYS A 61 3.640 -21.391 6.196 1.00 0.00 C ATOM 887 CE LYS A 61 2.575 -21.080 7.236 1.00 0.00 C ATOM 888 NZ LYS A 61 1.228 -20.924 6.622 1.00 0.00 N ATOM 0 H LYS A 61 1.269 -18.626 4.956 1.00 0.00 H new ATOM 0 HA LYS A 61 3.795 -18.094 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.111 -20.526 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.522 -20.690 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.014 -20.208 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.843 -19.268 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.295 -22.198 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.543 -21.745 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.546 -21.880 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.841 -20.165 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.497 -21.118 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.118 -19.952 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.127 -21.593 5.832 1.00 0.00 H new ATOM 902 N ASP A 62 1.258 -18.785 1.806 1.00 0.00 N ATOM 903 CA ASP A 62 0.810 -18.818 0.419 1.00 0.00 C ATOM 904 C ASP A 62 -0.568 -18.180 0.278 1.00 0.00 C ATOM 905 O ASP A 62 -1.356 -18.164 1.224 1.00 0.00 O ATOM 906 CB ASP A 62 0.775 -20.258 -0.095 1.00 0.00 C ATOM 907 CG ASP A 62 -0.141 -20.423 -1.291 1.00 0.00 C ATOM 908 OD1 ASP A 62 0.221 -19.944 -2.386 1.00 0.00 O ATOM 909 OD2 ASP A 62 -1.221 -21.031 -1.133 1.00 0.00 O ATOM 0 H ASP A 62 0.506 -18.843 2.493 1.00 0.00 H new ATOM 0 HA ASP A 62 1.519 -18.245 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.784 -20.568 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.444 -20.919 0.706 1.00 0.00 H new ATOM 914 N LEU A 63 -0.852 -17.654 -0.909 1.00 0.00 N ATOM 915 CA LEU A 63 -2.136 -17.014 -1.174 1.00 0.00 C ATOM 916 C LEU A 63 -3.215 -18.053 -1.460 1.00 0.00 C ATOM 917 O LEU A 63 -2.946 -19.134 -1.985 1.00 0.00 O ATOM 918 CB LEU A 63 -2.013 -16.051 -2.357 1.00 0.00 C ATOM 919 CG LEU A 63 -1.234 -14.761 -2.094 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.795 -14.127 -3.405 1.00 0.00 C ATOM 921 CD2 LEU A 63 -2.075 -13.786 -1.283 1.00 0.00 C ATOM 0 H LEU A 63 -0.211 -17.658 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.425 -16.454 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.534 -16.579 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.017 -15.785 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.343 -15.008 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.242 -13.210 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.155 -14.822 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.672 -13.894 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.505 -12.874 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.984 -13.544 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.339 -14.240 -0.328 1.00 0.00 H new ATOM 933 N PRO A 64 -4.466 -17.720 -1.109 1.00 0.00 N ATOM 934 CA PRO A 64 -5.611 -18.610 -1.322 1.00 0.00 C ATOM 935 C PRO A 64 -5.961 -18.763 -2.798 1.00 0.00 C ATOM 936 O PRO A 64 -6.685 -19.682 -3.183 1.00 0.00 O ATOM 937 CB PRO A 64 -6.748 -17.911 -0.572 1.00 0.00 C ATOM 938 CG PRO A 64 -6.360 -16.472 -0.554 1.00 0.00 C ATOM 939 CD PRO A 64 -4.859 -16.449 -0.479 1.00 0.00 C ATOM 0 HA PRO A 64 -5.410 -19.623 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.704 -18.057 -1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.857 -18.305 0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.714 -15.961 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.801 -15.959 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.443 -15.592 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.509 -16.386 0.551 1.00 0.00 H new ATOM 947 N PHE A 65 -5.442 -17.858 -3.621 1.00 0.00 N ATOM 948 CA PHE A 65 -5.700 -17.892 -5.056 1.00 0.00 C ATOM 949 C PHE A 65 -4.410 -17.689 -5.845 1.00 0.00 C ATOM 950 O PHE A 65 -3.324 -17.618 -5.272 1.00 0.00 O ATOM 951 CB PHE A 65 -6.720 -16.818 -5.438 1.00 0.00 C ATOM 952 CG PHE A 65 -6.155 -15.427 -5.434 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.665 -14.866 -4.266 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.114 -14.679 -6.600 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.144 -13.586 -4.259 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.593 -13.398 -6.600 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.109 -12.851 -5.428 1.00 0.00 C ATOM 0 H PHE A 65 -4.840 -17.092 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.106 -18.873 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.114 -17.039 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.560 -16.863 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.690 -15.436 -3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.493 -15.101 -7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.765 -13.161 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.565 -12.826 -7.516 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.704 -11.850 -5.425 1.00 0.00 H new ATOM 967 N GLU A 66 -4.540 -17.596 -7.165 1.00 0.00 N ATOM 968 CA GLU A 66 -3.385 -17.402 -8.034 1.00 0.00 C ATOM 969 C GLU A 66 -3.502 -16.093 -8.810 1.00 0.00 C ATOM 970 O GLU A 66 -3.987 -16.055 -9.941 1.00 0.00 O ATOM 971 CB GLU A 66 -3.248 -18.575 -9.007 1.00 0.00 C ATOM 972 CG GLU A 66 -1.942 -18.572 -9.783 1.00 0.00 C ATOM 973 CD GLU A 66 -1.830 -19.743 -10.740 1.00 0.00 C ATOM 974 OE1 GLU A 66 -2.533 -19.736 -11.772 1.00 0.00 O ATOM 975 OE2 GLU A 66 -1.037 -20.666 -10.457 1.00 0.00 O ATOM 0 H GLU A 66 -5.433 -17.652 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.495 -17.354 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.328 -19.509 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.080 -18.551 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.858 -17.641 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.107 -18.599 -9.083 1.00 0.00 H new ATOM 982 N PRO A 67 -3.047 -14.995 -8.190 1.00 0.00 N ATOM 983 CA PRO A 67 -3.089 -13.664 -8.803 1.00 0.00 C ATOM 984 C PRO A 67 -2.112 -13.531 -9.967 1.00 0.00 C ATOM 985 O PRO A 67 -0.961 -13.955 -9.874 1.00 0.00 O ATOM 986 CB PRO A 67 -2.687 -12.732 -7.658 1.00 0.00 C ATOM 987 CG PRO A 67 -1.874 -13.584 -6.744 1.00 0.00 C ATOM 988 CD PRO A 67 -2.456 -14.967 -6.842 1.00 0.00 C ATOM 0 HA PRO A 67 -4.068 -13.442 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.111 -11.882 -8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.563 -12.329 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.824 -13.580 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.920 -13.213 -5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.691 -15.734 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.206 -15.143 -6.071 1.00 0.00 H new ATOM 996 N SER A 68 -2.579 -12.938 -11.061 1.00 0.00 N ATOM 997 CA SER A 68 -1.747 -12.752 -12.244 1.00 0.00 C ATOM 998 C SER A 68 -0.691 -11.678 -12.001 1.00 0.00 C ATOM 999 O SER A 68 -0.653 -11.056 -10.939 1.00 0.00 O ATOM 1000 CB SER A 68 -2.612 -12.371 -13.447 1.00 0.00 C ATOM 1001 OG SER A 68 -3.049 -13.523 -14.146 1.00 0.00 O ATOM 0 H SER A 68 -3.529 -12.578 -11.153 1.00 0.00 H new ATOM 0 HA SER A 68 -1.241 -13.694 -12.454 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.475 -11.797 -13.111 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.043 -11.728 -14.119 1.00 0.00 H new ATOM 0 HG SER A 68 -3.601 -13.253 -14.909 1.00 0.00 H new ATOM 1007 N LYS A 69 0.165 -11.464 -12.995 1.00 0.00 N ATOM 1008 CA LYS A 69 1.222 -10.465 -12.893 1.00 0.00 C ATOM 1009 C LYS A 69 0.635 -9.061 -12.786 1.00 0.00 C ATOM 1010 O LYS A 69 1.119 -8.231 -12.017 1.00 0.00 O ATOM 1011 CB LYS A 69 2.151 -10.550 -14.106 1.00 0.00 C ATOM 1012 CG LYS A 69 3.362 -9.638 -14.010 1.00 0.00 C ATOM 1013 CD LYS A 69 3.072 -8.263 -14.589 1.00 0.00 C ATOM 1014 CE LYS A 69 3.076 -8.287 -16.110 1.00 0.00 C ATOM 1015 NZ LYS A 69 1.757 -8.705 -16.662 1.00 0.00 N ATOM 0 H LYS A 69 0.147 -11.970 -13.881 1.00 0.00 H new ATOM 0 HA LYS A 69 1.795 -10.670 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.490 -11.579 -14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.587 -10.297 -15.004 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.662 -9.539 -12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.201 -10.088 -14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.103 -7.914 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.818 -7.552 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.331 -7.297 -16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.849 -8.971 -16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.477 -8.054 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.830 -9.670 -17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.042 -8.683 -15.907 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.413 -8.802 -13.562 1.00 0.00 N ATOM 1030 CA LYS A 70 -1.068 -7.500 -13.553 1.00 0.00 C ATOM 1031 C LYS A 70 -1.219 -6.976 -12.128 1.00 0.00 C ATOM 1032 O LYS A 70 -1.239 -5.766 -11.900 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.442 -7.593 -14.220 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.267 -8.779 -13.751 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.085 -8.435 -12.517 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.356 -9.268 -12.441 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.892 -9.337 -11.054 1.00 0.00 N ATOM 0 H LYS A 70 -0.826 -9.477 -14.205 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.444 -6.804 -14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.996 -6.675 -14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.309 -7.658 -15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.933 -9.100 -14.552 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.607 -9.618 -13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.485 -8.603 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.343 -7.376 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.111 -8.840 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.152 -10.276 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.758 -9.913 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.182 -9.769 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.111 -8.377 -10.718 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.322 -7.894 -11.173 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.468 -7.524 -9.769 1.00 0.00 C ATOM 1053 C LEU A 71 -0.108 -7.434 -9.085 1.00 0.00 C ATOM 1054 O LEU A 71 0.743 -8.307 -9.255 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.351 -8.541 -9.043 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.774 -8.168 -7.622 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.948 -7.202 -7.651 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.128 -9.416 -6.826 1.00 0.00 C ATOM 0 H LEU A 71 -1.307 -8.899 -11.345 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.941 -6.543 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.250 -8.702 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.820 -9.492 -9.005 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.935 -7.674 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.235 -6.948 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.660 -6.296 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.791 -7.669 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.427 -9.131 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.951 -9.938 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.260 -10.074 -6.776 1.00 0.00 H new ATOM 1070 N PHE A 72 0.089 -6.373 -8.309 1.00 0.00 N ATOM 1071 CA PHE A 72 1.346 -6.169 -7.598 1.00 0.00 C ATOM 1072 C PHE A 72 1.232 -6.635 -6.149 1.00 0.00 C ATOM 1073 O PHE A 72 0.468 -6.075 -5.363 1.00 0.00 O ATOM 1074 CB PHE A 72 1.747 -4.693 -7.641 1.00 0.00 C ATOM 1075 CG PHE A 72 2.076 -4.201 -9.021 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.149 -4.729 -9.722 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.312 -3.212 -9.619 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.454 -4.278 -10.992 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.613 -2.757 -10.889 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.684 -3.291 -11.577 1.00 0.00 C ATOM 0 H PHE A 72 -0.605 -5.642 -8.157 1.00 0.00 H new ATOM 0 HA PHE A 72 2.115 -6.762 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.934 -4.092 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.611 -4.541 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.753 -5.502 -9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.472 -2.792 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.294 -4.697 -11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.011 -1.984 -11.343 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.920 -2.938 -12.570 1.00 0.00 H new ATOM 1090 N VAL A 73 1.999 -7.665 -5.803 1.00 0.00 N ATOM 1091 CA VAL A 73 1.986 -8.207 -4.450 1.00 0.00 C ATOM 1092 C VAL A 73 3.148 -7.661 -3.628 1.00 0.00 C ATOM 1093 O VAL A 73 4.305 -7.737 -4.041 1.00 0.00 O ATOM 1094 CB VAL A 73 2.057 -9.745 -4.461 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.767 -10.303 -3.076 1.00 0.00 C ATOM 1096 CG2 VAL A 73 1.091 -10.316 -5.488 1.00 0.00 C ATOM 0 H VAL A 73 2.637 -8.140 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 73 1.046 -7.898 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 73 3.067 -10.042 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.822 -11.391 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.502 -9.920 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.769 -9.998 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.155 -11.404 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.074 -10.011 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.351 -9.943 -6.479 1.00 0.00 H new ATOM 1106 N VAL A 74 2.832 -7.109 -2.460 1.00 0.00 N ATOM 1107 CA VAL A 74 3.850 -6.551 -1.578 1.00 0.00 C ATOM 1108 C VAL A 74 3.577 -6.918 -0.124 1.00 0.00 C ATOM 1109 O VAL A 74 2.554 -7.523 0.195 1.00 0.00 O ATOM 1110 CB VAL A 74 3.923 -5.018 -1.705 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.508 -4.620 -3.051 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.546 -4.402 -1.510 1.00 0.00 C ATOM 0 H VAL A 74 1.879 -7.037 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 74 4.805 -6.979 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 74 4.581 -4.637 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.551 -3.533 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.513 -5.030 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.879 -5.011 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.616 -3.318 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.864 -4.788 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.170 -4.658 -0.519 1.00 0.00 H new ATOM 1122 N LYS A 75 4.501 -6.547 0.757 1.00 0.00 N ATOM 1123 CA LYS A 75 4.361 -6.834 2.180 1.00 0.00 C ATOM 1124 C LYS A 75 3.622 -5.706 2.893 1.00 0.00 C ATOM 1125 O LYS A 75 3.430 -4.627 2.333 1.00 0.00 O ATOM 1126 CB LYS A 75 5.737 -7.040 2.817 1.00 0.00 C ATOM 1127 CG LYS A 75 6.577 -8.097 2.122 1.00 0.00 C ATOM 1128 CD LYS A 75 8.063 -7.805 2.256 1.00 0.00 C ATOM 1129 CE LYS A 75 8.850 -8.376 1.086 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.265 -8.658 1.456 1.00 0.00 N ATOM 0 H LYS A 75 5.355 -6.047 0.510 1.00 0.00 H new ATOM 0 HA LYS A 75 3.778 -7.749 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.278 -6.094 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.606 -7.321 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.358 -9.076 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.308 -8.141 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.220 -6.728 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.436 -8.229 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.374 -9.294 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.825 -7.673 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.790 -8.965 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.702 -7.796 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.293 -9.410 2.174 1.00 0.00 H new ATOM 1144 N GLN A 76 3.211 -5.964 4.130 1.00 0.00 N ATOM 1145 CA GLN A 76 2.494 -4.969 4.919 1.00 0.00 C ATOM 1146 C GLN A 76 3.274 -3.660 4.983 1.00 0.00 C ATOM 1147 O GLN A 76 2.704 -2.579 4.838 1.00 0.00 O ATOM 1148 CB GLN A 76 2.240 -5.495 6.333 1.00 0.00 C ATOM 1149 CG GLN A 76 3.510 -5.705 7.141 1.00 0.00 C ATOM 1150 CD GLN A 76 3.354 -6.774 8.205 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.430 -6.492 9.401 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.134 -8.011 7.774 1.00 0.00 N ATOM 0 H GLN A 76 3.362 -6.853 4.607 1.00 0.00 H new ATOM 0 HA GLN A 76 1.537 -4.777 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.594 -4.794 6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.700 -6.440 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.322 -5.982 6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.795 -4.765 7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.078 -8.200 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.021 -8.772 8.444 1.00 0.00 H new ATOM 1161 N GLU A 77 4.581 -3.766 5.202 1.00 0.00 N ATOM 1162 CA GLU A 77 5.438 -2.589 5.287 1.00 0.00 C ATOM 1163 C GLU A 77 5.039 -1.549 4.244 1.00 0.00 C ATOM 1164 O GLU A 77 4.736 -0.404 4.578 1.00 0.00 O ATOM 1165 CB GLU A 77 6.904 -2.984 5.095 1.00 0.00 C ATOM 1166 CG GLU A 77 7.600 -3.386 6.384 1.00 0.00 C ATOM 1167 CD GLU A 77 6.725 -4.246 7.276 1.00 0.00 C ATOM 1168 OE1 GLU A 77 6.625 -5.463 7.014 1.00 0.00 O ATOM 1169 OE2 GLU A 77 6.140 -3.701 8.235 1.00 0.00 O ATOM 0 H GLU A 77 5.069 -4.653 5.324 1.00 0.00 H new ATOM 0 HA GLU A 77 5.314 -2.151 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.959 -3.813 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.441 -2.148 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.514 -3.930 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.896 -2.489 6.928 1.00 0.00 H new ATOM 1176 N TRP A 78 5.043 -1.956 2.980 1.00 0.00 N ATOM 1177 CA TRP A 78 4.683 -1.060 1.887 1.00 0.00 C ATOM 1178 C TRP A 78 3.526 -0.151 2.288 1.00 0.00 C ATOM 1179 O TRP A 78 3.688 1.064 2.399 1.00 0.00 O ATOM 1180 CB TRP A 78 4.307 -1.866 0.642 1.00 0.00 C ATOM 1181 CG TRP A 78 4.169 -1.024 -0.590 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.148 -0.732 -1.497 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.984 -0.365 -1.050 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.643 0.069 -2.493 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.318 0.308 -2.242 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.674 -0.280 -0.572 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.387 1.055 -2.959 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.752 0.463 -1.285 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.112 1.122 -2.468 1.00 0.00 C ATOM 0 H TRP A 78 5.292 -2.901 2.686 1.00 0.00 H new ATOM 0 HA TRP A 78 5.548 -0.437 1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.066 -2.629 0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.367 -2.387 0.825 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.169 -1.080 -1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.169 0.427 -3.290 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.387 -0.786 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.662 1.564 -3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.263 0.537 -0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.368 1.694 -3.003 1.00 0.00 H new ATOM 1200 N PHE A 79 2.358 -0.748 2.504 1.00 0.00 N ATOM 1201 CA PHE A 79 1.173 0.009 2.892 1.00 0.00 C ATOM 1202 C PHE A 79 1.496 0.985 4.020 1.00 0.00 C ATOM 1203 O PHE A 79 1.272 2.189 3.897 1.00 0.00 O ATOM 1204 CB PHE A 79 0.056 -0.941 3.328 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.173 -0.233 3.823 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.914 0.573 2.973 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.588 -0.374 5.137 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.045 1.226 3.426 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.719 0.276 5.595 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.448 1.076 4.738 1.00 0.00 C ATOM 0 H PHE A 79 2.207 -1.753 2.417 1.00 0.00 H new ATOM 0 HA PHE A 79 0.838 0.580 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.216 -1.580 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.432 -1.594 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.604 0.692 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.022 -0.999 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.613 1.853 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.032 0.158 6.622 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.332 1.584 5.093 1.00 0.00 H new ATOM 1220 N TRP A 80 2.023 0.456 5.118 1.00 0.00 N ATOM 1221 CA TRP A 80 2.377 1.279 6.269 1.00 0.00 C ATOM 1222 C TRP A 80 3.198 2.490 5.840 1.00 0.00 C ATOM 1223 O TRP A 80 2.749 3.630 5.960 1.00 0.00 O ATOM 1224 CB TRP A 80 3.159 0.453 7.292 1.00 0.00 C ATOM 1225 CG TRP A 80 2.333 -0.606 7.957 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.626 -1.937 8.047 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.079 -0.422 8.623 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.629 -2.592 8.729 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.669 -1.685 9.094 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.264 0.686 8.869 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.521 -1.867 9.794 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.916 0.503 9.564 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.299 -0.765 10.021 1.00 0.00 C ATOM 0 H TRP A 80 2.215 -0.539 5.236 1.00 0.00 H new ATOM 0 HA TRP A 80 1.454 1.633 6.728 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.008 -0.017 6.796 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.564 1.120 8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.511 -2.406 7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.607 -3.592 8.931 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.551 1.668 8.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.819 -2.844 10.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.554 1.352 9.758 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.227 -0.874 10.563 1.00 0.00 H new ATOM 1244 N GLY A 81 4.403 2.236 5.340 1.00 0.00 N ATOM 1245 CA GLY A 81 5.267 3.317 4.901 1.00 0.00 C ATOM 1246 C GLY A 81 4.531 4.341 4.060 1.00 0.00 C ATOM 1247 O GLY A 81 4.325 5.476 4.491 1.00 0.00 O ATOM 0 H GLY A 81 4.797 1.301 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.699 3.809 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.095 2.905 4.324 1.00 0.00 H new ATOM 1251 N SER A 82 4.136 3.942 2.855 1.00 0.00 N ATOM 1252 CA SER A 82 3.425 4.836 1.949 1.00 0.00 C ATOM 1253 C SER A 82 2.499 5.770 2.723 1.00 0.00 C ATOM 1254 O SER A 82 2.334 6.936 2.362 1.00 0.00 O ATOM 1255 CB SER A 82 2.617 4.028 0.931 1.00 0.00 C ATOM 1256 OG SER A 82 3.449 3.534 -0.104 1.00 0.00 O ATOM 0 H SER A 82 4.296 3.006 2.484 1.00 0.00 H new ATOM 0 HA SER A 82 4.163 5.439 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.122 3.196 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.834 4.654 0.504 1.00 0.00 H new ATOM 0 HG SER A 82 2.909 3.020 -0.740 1.00 0.00 H new ATOM 1262 N ILE A 83 1.899 5.250 3.788 1.00 0.00 N ATOM 1263 CA ILE A 83 0.992 6.037 4.613 1.00 0.00 C ATOM 1264 C ILE A 83 1.761 6.998 5.513 1.00 0.00 C ATOM 1265 O ILE A 83 1.441 8.184 5.587 1.00 0.00 O ATOM 1266 CB ILE A 83 0.101 5.135 5.488 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.727 4.193 4.610 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.806 5.980 6.369 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.143 2.921 5.314 1.00 0.00 C ATOM 0 H ILE A 83 2.025 4.287 4.100 1.00 0.00 H new ATOM 0 HA ILE A 83 0.361 6.607 3.932 1.00 0.00 H new ATOM 0 HB ILE A 83 0.741 4.532 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.619 4.718 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.149 3.935 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.429 5.328 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.198 6.613 7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.442 6.606 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.726 2.302 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.255 2.374 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.748 3.169 6.186 1.00 0.00 H new ATOM 1281 N GLN A 84 2.777 6.477 6.194 1.00 0.00 N ATOM 1282 CA GLN A 84 3.593 7.290 7.088 1.00 0.00 C ATOM 1283 C GLN A 84 4.246 8.443 6.332 1.00 0.00 C ATOM 1284 O GLN A 84 4.189 9.593 6.766 1.00 0.00 O ATOM 1285 CB GLN A 84 4.667 6.430 7.756 1.00 0.00 C ATOM 1286 CG GLN A 84 5.067 6.920 9.139 1.00 0.00 C ATOM 1287 CD GLN A 84 3.927 6.845 10.136 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.014 6.032 9.993 1.00 0.00 O ATOM 1289 NE2 GLN A 84 3.975 7.696 11.154 1.00 0.00 N ATOM 0 H GLN A 84 3.054 5.497 6.144 1.00 0.00 H new ATOM 0 HA GLN A 84 2.941 7.706 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.303 5.405 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.551 6.407 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.904 6.324 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.416 7.950 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.751 8.353 11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.236 7.693 11.857 1.00 0.00 H new ATOM 1298 N MET A 85 4.866 8.127 5.200 1.00 0.00 N ATOM 1299 CA MET A 85 5.528 9.137 4.384 1.00 0.00 C ATOM 1300 C MET A 85 4.547 9.776 3.407 1.00 0.00 C ATOM 1301 O MET A 85 4.889 10.723 2.698 1.00 0.00 O ATOM 1302 CB MET A 85 6.698 8.517 3.617 1.00 0.00 C ATOM 1303 CG MET A 85 6.286 7.385 2.690 1.00 0.00 C ATOM 1304 SD MET A 85 7.585 6.152 2.479 1.00 0.00 S ATOM 1305 CE MET A 85 7.435 5.799 0.730 1.00 0.00 C ATOM 0 H MET A 85 4.924 7.179 4.827 1.00 0.00 H new ATOM 0 HA MET A 85 5.908 9.913 5.049 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.190 9.294 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.432 8.142 4.331 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.393 6.902 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.020 7.797 1.716 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.280 5.191 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.507 5.257 0.546 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.426 6.734 0.170 1.00 0.00 H new ATOM 1315 N ASP A 86 3.326 9.252 3.373 1.00 0.00 N ATOM 1316 CA ASP A 86 2.295 9.772 2.483 1.00 0.00 C ATOM 1317 C ASP A 86 2.802 9.841 1.046 1.00 0.00 C ATOM 1318 O ASP A 86 2.577 10.827 0.345 1.00 0.00 O ATOM 1319 CB ASP A 86 1.844 11.159 2.945 1.00 0.00 C ATOM 1320 CG ASP A 86 0.689 11.095 3.925 1.00 0.00 C ATOM 1321 OD1 ASP A 86 -0.475 11.098 3.471 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.949 11.042 5.145 1.00 0.00 O ATOM 0 H ASP A 86 3.027 8.467 3.952 1.00 0.00 H new ATOM 0 HA ASP A 86 1.444 9.092 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.684 11.675 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.549 11.750 2.078 1.00 0.00 H new ATOM 1327 N ALA A 87 3.487 8.787 0.614 1.00 0.00 N ATOM 1328 CA ALA A 87 4.024 8.727 -0.739 1.00 0.00 C ATOM 1329 C ALA A 87 4.098 7.288 -1.238 1.00 0.00 C ATOM 1330 O ALA A 87 4.555 6.396 -0.523 1.00 0.00 O ATOM 1331 CB ALA A 87 5.399 9.376 -0.790 1.00 0.00 C ATOM 0 H ALA A 87 3.683 7.963 1.182 1.00 0.00 H new ATOM 0 HA ALA A 87 3.349 9.277 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.788 9.324 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.320 10.419 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.075 8.850 -0.115 1.00 0.00 H new ATOM 1337 N ARG A 88 3.643 7.069 -2.467 1.00 0.00 N ATOM 1338 CA ARG A 88 3.656 5.737 -3.060 1.00 0.00 C ATOM 1339 C ARG A 88 5.086 5.231 -3.230 1.00 0.00 C ATOM 1340 O ARG A 88 5.852 5.763 -4.033 1.00 0.00 O ATOM 1341 CB ARG A 88 2.945 5.752 -4.415 1.00 0.00 C ATOM 1342 CG ARG A 88 2.942 4.403 -5.116 1.00 0.00 C ATOM 1343 CD ARG A 88 1.713 4.235 -5.996 1.00 0.00 C ATOM 1344 NE ARG A 88 1.803 3.047 -6.840 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.586 2.963 -7.910 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.343 3.992 -8.264 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.613 1.847 -8.628 1.00 0.00 N ATOM 0 H ARG A 88 3.261 7.796 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 88 3.128 5.062 -2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.915 6.080 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.427 6.486 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.842 4.305 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.971 3.606 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.824 4.167 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.593 5.118 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 88 1.233 2.237 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.325 4.851 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.943 3.925 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.032 1.053 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.214 1.783 -9.449 1.00 0.00 H new ATOM 1361 N ALA A 89 5.438 4.200 -2.469 1.00 0.00 N ATOM 1362 CA ALA A 89 6.774 3.622 -2.536 1.00 0.00 C ATOM 1363 C ALA A 89 6.850 2.539 -3.607 1.00 0.00 C ATOM 1364 O ALA A 89 5.827 2.040 -4.073 1.00 0.00 O ATOM 1365 CB ALA A 89 7.173 3.056 -1.181 1.00 0.00 C ATOM 0 H ALA A 89 4.816 3.748 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 89 7.473 4.414 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.173 2.627 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.167 3.853 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.465 2.281 -0.887 1.00 0.00 H new ATOM 1371 N GLY A 90 8.071 2.182 -3.995 1.00 0.00 N ATOM 1372 CA GLY A 90 8.257 1.161 -5.009 1.00 0.00 C ATOM 1373 C GLY A 90 7.886 -0.223 -4.515 1.00 0.00 C ATOM 1374 O GLY A 90 8.231 -0.602 -3.397 1.00 0.00 O ATOM 0 H GLY A 90 8.934 2.581 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.652 1.406 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.298 1.161 -5.333 1.00 0.00 H new ATOM 1378 N GLU A 91 7.179 -0.978 -5.350 1.00 0.00 N ATOM 1379 CA GLU A 91 6.758 -2.327 -4.989 1.00 0.00 C ATOM 1380 C GLU A 91 7.953 -3.276 -4.945 1.00 0.00 C ATOM 1381 O GLU A 91 8.022 -4.167 -4.098 1.00 0.00 O ATOM 1382 CB GLU A 91 5.718 -2.844 -5.985 1.00 0.00 C ATOM 1383 CG GLU A 91 4.527 -1.917 -6.158 1.00 0.00 C ATOM 1384 CD GLU A 91 4.818 -0.761 -7.095 1.00 0.00 C ATOM 1385 OE1 GLU A 91 5.761 -0.879 -7.906 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.105 0.261 -7.018 1.00 0.00 O ATOM 0 H GLU A 91 6.886 -0.679 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 91 6.311 -2.287 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.196 -2.991 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.363 -3.820 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.681 -2.487 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.232 -1.525 -5.185 1.00 0.00 H new ATOM 1393 N THR A 92 8.892 -3.078 -5.865 1.00 0.00 N ATOM 1394 CA THR A 92 10.082 -3.916 -5.934 1.00 0.00 C ATOM 1395 C THR A 92 10.879 -3.846 -4.636 1.00 0.00 C ATOM 1396 O THR A 92 11.812 -4.622 -4.428 1.00 0.00 O ATOM 1397 CB THR A 92 10.993 -3.503 -7.105 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.249 -3.502 -8.328 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.179 -4.447 -7.228 1.00 0.00 C ATOM 0 H THR A 92 8.851 -2.344 -6.573 1.00 0.00 H new ATOM 0 HA THR A 92 9.740 -4.939 -6.093 1.00 0.00 H new ATOM 0 HB THR A 92 11.368 -2.499 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.835 -3.237 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.808 -4.135 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.760 -4.423 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.820 -5.461 -7.404 1.00 0.00 H new ATOM 1407 N MET A 93 10.505 -2.913 -3.767 1.00 0.00 N ATOM 1408 CA MET A 93 11.185 -2.744 -2.488 1.00 0.00 C ATOM 1409 C MET A 93 10.481 -3.535 -1.390 1.00 0.00 C ATOM 1410 O MET A 93 11.045 -3.767 -0.320 1.00 0.00 O ATOM 1411 CB MET A 93 11.244 -1.263 -2.109 1.00 0.00 C ATOM 1412 CG MET A 93 12.451 -0.537 -2.680 1.00 0.00 C ATOM 1413 SD MET A 93 12.846 0.971 -1.774 1.00 0.00 S ATOM 1414 CE MET A 93 12.298 2.218 -2.937 1.00 0.00 C ATOM 0 H MET A 93 9.735 -2.263 -3.925 1.00 0.00 H new ATOM 0 HA MET A 93 12.201 -3.125 -2.591 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.336 -0.771 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.258 -1.175 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.313 -1.204 -2.662 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.261 -0.290 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.476 3.209 -2.519 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.851 2.113 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.233 2.092 -3.130 1.00 0.00 H new ATOM 1424 N TYR A 94 9.247 -3.946 -1.661 1.00 0.00 N ATOM 1425 CA TYR A 94 8.466 -4.708 -0.694 1.00 0.00 C ATOM 1426 C TYR A 94 7.837 -5.934 -1.348 1.00 0.00 C ATOM 1427 O TYR A 94 7.097 -6.683 -0.709 1.00 0.00 O ATOM 1428 CB TYR A 94 7.376 -3.828 -0.080 1.00 0.00 C ATOM 1429 CG TYR A 94 7.895 -2.521 0.475 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.230 -1.469 -0.368 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.051 -2.338 1.844 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.705 -0.273 0.135 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.524 -1.145 2.356 1.00 0.00 C ATOM 1434 CZ TYR A 94 8.850 -0.116 1.498 1.00 0.00 C ATOM 1435 OH TYR A 94 9.322 1.073 2.004 1.00 0.00 O ATOM 0 H TYR A 94 8.766 -3.764 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 94 9.139 -5.044 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.621 -3.617 -0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.881 -4.381 0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.117 -1.588 -1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.798 -3.142 2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.961 0.534 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.638 -1.019 3.423 1.00 0.00 H new ATOM 0 HH TYR A 94 9.363 1.019 2.982 1.00 0.00 H new ATOM 1445 N LEU A 95 8.136 -6.134 -2.627 1.00 0.00 N ATOM 1446 CA LEU A 95 7.602 -7.269 -3.370 1.00 0.00 C ATOM 1447 C LEU A 95 7.666 -8.545 -2.536 1.00 0.00 C ATOM 1448 O LEU A 95 8.743 -8.976 -2.124 1.00 0.00 O ATOM 1449 CB LEU A 95 8.376 -7.461 -4.675 1.00 0.00 C ATOM 1450 CG LEU A 95 7.836 -6.710 -5.893 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.638 -7.061 -7.136 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.361 -7.024 -6.101 1.00 0.00 C ATOM 0 H LEU A 95 8.746 -5.524 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 95 6.558 -7.060 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.408 -7.151 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.396 -8.525 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 95 7.938 -5.640 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.239 -6.517 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.682 -6.785 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.569 -8.133 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.993 -6.481 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.236 -8.095 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.797 -6.721 -5.219 1.00 0.00 H new ATOM 1464 N TYR A 96 6.506 -9.144 -2.292 1.00 0.00 N ATOM 1465 CA TYR A 96 6.430 -10.371 -1.507 1.00 0.00 C ATOM 1466 C TYR A 96 6.498 -11.600 -2.408 1.00 0.00 C ATOM 1467 O TYR A 96 5.474 -12.096 -2.876 1.00 0.00 O ATOM 1468 CB TYR A 96 5.139 -10.397 -0.687 1.00 0.00 C ATOM 1469 CG TYR A 96 4.775 -11.771 -0.173 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.674 -12.511 0.585 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.533 -12.331 -0.447 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.347 -13.768 1.056 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.197 -13.586 0.021 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.107 -14.301 0.772 1.00 0.00 C ATOM 1475 OH TYR A 96 3.776 -15.553 1.238 1.00 0.00 O ATOM 0 H TYR A 96 5.606 -8.800 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 96 7.284 -10.392 -0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.242 -9.718 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.321 -10.020 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.646 -12.096 0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.818 -11.775 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.058 -14.330 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.227 -14.006 -0.200 1.00 0.00 H new ATOM 0 HH TYR A 96 3.237 -15.467 2.052 1.00 0.00 H new ATOM 1485 N GLU A 97 7.712 -12.085 -2.646 1.00 0.00 N ATOM 1486 CA GLU A 97 7.915 -13.256 -3.491 1.00 0.00 C ATOM 1487 C GLU A 97 8.108 -14.511 -2.644 1.00 0.00 C ATOM 1488 O GLU A 97 8.341 -15.599 -3.171 1.00 0.00 O ATOM 1489 CB GLU A 97 9.126 -13.051 -4.402 1.00 0.00 C ATOM 1490 CG GLU A 97 10.433 -12.875 -3.648 1.00 0.00 C ATOM 1491 CD GLU A 97 11.640 -12.859 -4.566 1.00 0.00 C ATOM 1492 OE1 GLU A 97 11.867 -13.869 -5.264 1.00 0.00 O ATOM 1493 OE2 GLU A 97 12.356 -11.837 -4.587 1.00 0.00 O ATOM 0 H GLU A 97 8.570 -11.685 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 97 7.025 -13.387 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.215 -13.907 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.956 -12.174 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.399 -11.944 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.542 -13.683 -2.925 1.00 0.00 H new ATOM 1500 N LYS A 98 8.009 -14.351 -1.329 1.00 0.00 N ATOM 1501 CA LYS A 98 8.172 -15.469 -0.407 1.00 0.00 C ATOM 1502 C LYS A 98 6.845 -16.188 -0.184 1.00 0.00 C ATOM 1503 O LYS A 98 6.455 -16.451 0.953 1.00 0.00 O ATOM 1504 CB LYS A 98 8.729 -14.978 0.930 1.00 0.00 C ATOM 1505 CG LYS A 98 10.089 -14.312 0.815 1.00 0.00 C ATOM 1506 CD LYS A 98 9.960 -12.817 0.574 1.00 0.00 C ATOM 1507 CE LYS A 98 11.232 -12.078 0.959 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.384 -11.968 2.437 1.00 0.00 N ATOM 0 H LYS A 98 7.816 -13.457 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 98 8.877 -16.173 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.024 -14.272 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.804 -15.823 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.659 -14.486 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.649 -14.766 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.736 -12.635 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.122 -12.426 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.095 -12.599 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.220 -11.080 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.131 -11.279 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.486 -11.652 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.641 -12.896 2.830 1.00 0.00 H new ATOM 1522 N ALA A 99 6.156 -16.502 -1.277 1.00 0.00 N ATOM 1523 CA ALA A 99 4.875 -17.193 -1.199 1.00 0.00 C ATOM 1524 C ALA A 99 4.869 -18.439 -2.078 1.00 0.00 C ATOM 1525 O ALA A 99 4.693 -19.554 -1.590 1.00 0.00 O ATOM 1526 CB ALA A 99 3.745 -16.256 -1.601 1.00 0.00 C ATOM 0 H ALA A 99 6.464 -16.289 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 99 4.722 -17.508 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.794 -16.785 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.728 -15.398 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.903 -15.913 -2.624 1.00 0.00 H new ATOM 1532 N ASN A 100 5.063 -18.241 -3.378 1.00 0.00 N ATOM 1533 CA ASN A 100 5.079 -19.350 -4.326 1.00 0.00 C ATOM 1534 C ASN A 100 6.267 -19.236 -5.276 1.00 0.00 C ATOM 1535 O ASN A 100 6.604 -18.146 -5.739 1.00 0.00 O ATOM 1536 CB ASN A 100 3.774 -19.384 -5.125 1.00 0.00 C ATOM 1537 CG ASN A 100 3.907 -20.169 -6.416 1.00 0.00 C ATOM 1538 OD1 ASN A 100 3.871 -19.600 -7.507 1.00 0.00 O ATOM 1539 ND2 ASN A 100 4.061 -21.482 -6.296 1.00 0.00 N ATOM 0 H ASN A 100 5.211 -17.324 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 100 5.176 -20.277 -3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.988 -19.827 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.464 -18.364 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.155 -22.063 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.085 -21.910 -5.371 1.00 0.00 H new ATOM 1546 N THR A 101 6.898 -20.370 -5.564 1.00 0.00 N ATOM 1547 CA THR A 101 8.049 -20.399 -6.458 1.00 0.00 C ATOM 1548 C THR A 101 7.637 -20.796 -7.871 1.00 0.00 C ATOM 1549 O THR A 101 6.748 -21.623 -8.076 1.00 0.00 O ATOM 1550 CB THR A 101 9.126 -21.378 -5.956 1.00 0.00 C ATOM 1551 OG1 THR A 101 8.588 -22.703 -5.880 1.00 0.00 O ATOM 1552 CG2 THR A 101 9.645 -20.957 -4.589 1.00 0.00 C ATOM 0 H THR A 101 6.631 -21.281 -5.191 1.00 0.00 H new ATOM 0 HA THR A 101 8.463 -19.391 -6.472 1.00 0.00 H new ATOM 0 HB THR A 101 9.956 -21.364 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.280 -23.319 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.405 -21.664 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.081 -19.960 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.821 -20.945 -3.875 1.00 0.00 H new ATOM 1560 N PRO A 102 8.297 -20.194 -8.872 1.00 0.00 N ATOM 1561 CA PRO A 102 8.017 -20.470 -10.284 1.00 0.00 C ATOM 1562 C PRO A 102 8.462 -21.868 -10.701 1.00 0.00 C ATOM 1563 O PRO A 102 9.647 -22.194 -10.643 1.00 0.00 O ATOM 1564 CB PRO A 102 8.834 -19.406 -11.022 1.00 0.00 C ATOM 1565 CG PRO A 102 9.939 -19.060 -10.086 1.00 0.00 C ATOM 1566 CD PRO A 102 9.368 -19.197 -8.702 1.00 0.00 C ATOM 0 HA PRO A 102 6.950 -20.435 -10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.221 -19.788 -11.967 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.226 -18.532 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.791 -19.726 -10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.296 -18.045 -10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.120 -19.533 -7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.979 -18.248 -8.332 1.00 0.00 H new ATOM 1574 N GLU A 103 7.504 -22.688 -11.121 1.00 0.00 N ATOM 1575 CA GLU A 103 7.800 -24.051 -11.546 1.00 0.00 C ATOM 1576 C GLU A 103 7.963 -24.124 -13.062 1.00 0.00 C ATOM 1577 O GLU A 103 7.163 -23.563 -13.811 1.00 0.00 O ATOM 1578 CB GLU A 103 6.689 -25.002 -11.095 1.00 0.00 C ATOM 1579 CG GLU A 103 6.899 -25.565 -9.700 1.00 0.00 C ATOM 1580 CD GLU A 103 7.844 -26.750 -9.684 1.00 0.00 C ATOM 1581 OE1 GLU A 103 7.499 -27.791 -10.281 1.00 0.00 O ATOM 1582 OE2 GLU A 103 8.929 -26.637 -9.076 1.00 0.00 O ATOM 0 H GLU A 103 6.518 -22.433 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 103 8.738 -24.354 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.736 -24.474 -11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.619 -25.827 -11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.293 -24.782 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.937 -25.867 -9.286 1.00 0.00 H new ATOM 1589 N SER A 104 9.005 -24.820 -13.506 1.00 0.00 N ATOM 1590 CA SER A 104 9.277 -24.963 -14.932 1.00 0.00 C ATOM 1591 C SER A 104 8.110 -25.645 -15.641 1.00 0.00 C ATOM 1592 O SER A 104 7.266 -26.275 -15.006 1.00 0.00 O ATOM 1593 CB SER A 104 10.560 -25.766 -15.149 1.00 0.00 C ATOM 1594 OG SER A 104 10.502 -27.013 -14.479 1.00 0.00 O ATOM 0 H SER A 104 9.674 -25.293 -12.899 1.00 0.00 H new ATOM 0 HA SER A 104 9.405 -23.967 -15.355 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.714 -25.930 -16.216 1.00 0.00 H new ATOM 0 HB3 SER A 104 11.415 -25.195 -14.788 1.00 0.00 H new ATOM 0 HG SER A 104 11.334 -27.507 -14.635 1.00 0.00 H new ATOM 1600 N GLY A 105 8.071 -25.513 -16.963 1.00 0.00 N ATOM 1601 CA GLY A 105 7.005 -26.120 -17.738 1.00 0.00 C ATOM 1602 C GLY A 105 7.512 -27.199 -18.675 1.00 0.00 C ATOM 1603 O GLY A 105 8.486 -27.011 -19.404 1.00 0.00 O ATOM 0 H GLY A 105 8.759 -24.996 -17.511 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.266 -26.549 -17.061 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.497 -25.349 -18.317 1.00 0.00 H new ATOM 1607 N PRO A 106 6.843 -28.362 -18.662 1.00 0.00 N ATOM 1608 CA PRO A 106 7.214 -29.498 -19.510 1.00 0.00 C ATOM 1609 C PRO A 106 6.928 -29.238 -20.985 1.00 0.00 C ATOM 1610 O PRO A 106 7.287 -30.040 -21.847 1.00 0.00 O ATOM 1611 CB PRO A 106 6.331 -30.634 -18.987 1.00 0.00 C ATOM 1612 CG PRO A 106 5.154 -29.951 -18.380 1.00 0.00 C ATOM 1613 CD PRO A 106 5.672 -28.656 -17.818 1.00 0.00 C ATOM 0 HA PRO A 106 8.282 -29.712 -19.461 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.028 -31.303 -19.793 1.00 0.00 H new ATOM 0 HB3 PRO A 106 6.860 -31.240 -18.251 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.380 -29.771 -19.126 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.707 -30.565 -17.598 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.925 -27.865 -17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.948 -28.755 -16.768 1.00 0.00 H new ATOM 1621 N SER A 107 6.281 -28.112 -21.268 1.00 0.00 N ATOM 1622 CA SER A 107 5.945 -27.748 -22.640 1.00 0.00 C ATOM 1623 C SER A 107 6.454 -26.349 -22.971 1.00 0.00 C ATOM 1624 O SER A 107 7.154 -26.149 -23.964 1.00 0.00 O ATOM 1625 CB SER A 107 4.431 -27.816 -22.851 1.00 0.00 C ATOM 1626 OG SER A 107 4.010 -29.146 -23.095 1.00 0.00 O ATOM 0 H SER A 107 5.979 -27.436 -20.566 1.00 0.00 H new ATOM 0 HA SER A 107 6.430 -28.459 -23.308 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.920 -27.425 -21.971 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.149 -27.182 -23.691 1.00 0.00 H new ATOM 0 HG SER A 107 3.039 -29.163 -23.225 1.00 0.00 H new ATOM 1632 N SER A 108 6.097 -25.382 -22.131 1.00 0.00 N ATOM 1633 CA SER A 108 6.514 -24.000 -22.335 1.00 0.00 C ATOM 1634 C SER A 108 7.764 -23.683 -21.520 1.00 0.00 C ATOM 1635 O SER A 108 7.680 -23.141 -20.419 1.00 0.00 O ATOM 1636 CB SER A 108 5.384 -23.042 -21.951 1.00 0.00 C ATOM 1637 OG SER A 108 5.629 -21.738 -22.449 1.00 0.00 O ATOM 0 H SER A 108 5.520 -25.531 -21.303 1.00 0.00 H new ATOM 0 HA SER A 108 6.748 -23.870 -23.392 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.438 -23.414 -22.346 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.285 -23.008 -20.866 1.00 0.00 H new ATOM 0 HG SER A 108 4.892 -21.146 -22.191 1.00 0.00 H new ATOM 1643 N GLY A 109 8.925 -24.025 -22.071 1.00 0.00 N ATOM 1644 CA GLY A 109 10.176 -23.771 -21.383 1.00 0.00 C ATOM 1645 C GLY A 109 11.053 -22.778 -22.121 1.00 0.00 C ATOM 1646 O GLY A 109 11.778 -23.147 -23.044 1.00 0.00 O ATOM 0 H GLY A 109 9.021 -24.474 -22.982 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.966 -23.392 -20.383 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.717 -24.709 -21.262 1.00 0.00 H new TER 1650 GLY A 109